NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21050 | 2gzz | 7109 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 3.006 4.140 -3.973 2 2H MET 1 H2 MET 1 2.259 3.063 -2.992 3 3H MET 1 H3 MET 1 2.671 4.534 -2.415 4 HA MET 1 HA MET 1 4.533 2.432 -3.269 5 1HB MET 1 HB2 MET 1 5.358 4.759 -3.708 6 2HB MET 1 HB3 MET 1 5.195 5.122 -1.984 7 1HG MET 1 HG2 MET 1 6.799 3.278 -1.481 8 2HG MET 1 HG3 MET 1 6.985 2.974 -3.207 9 1HE MET 1 HE1 MET 1 7.283 5.806 -4.589 10 2HE MET 1 HE2 MET 1 9.038 6.022 -4.461 11 3HE MET 1 HE3 MET 1 8.372 4.421 -4.842 12 H ALA 2 H ALA 2 5.073 0.969 -1.736 13 HA ALA 2 HA ALA 2 3.563 0.834 0.639 14 1HB ALA 2 HB1 ALA 2 6.068 -0.698 -0.130 15 2HB ALA 2 HB2 ALA 2 4.861 -1.230 1.060 16 3HB ALA 2 HB3 ALA 2 4.420 -1.153 -0.665 17 H ILE 3 H ILE 3 6.405 2.259 0.098 18 HA ILE 3 HA ILE 3 7.496 1.989 2.802 19 HB ILE 3 HB ILE 3 8.438 3.522 0.380 20 1HG1 ILE 3 HG12 ILE 3 9.870 1.033 1.305 21 2HG1 ILE 3 HG13 ILE 3 8.314 0.796 0.510 22 1HG2 ILE 3 HG21 ILE 3 10.697 3.542 1.527 23 2HG2 ILE 3 HG22 ILE 3 9.486 4.476 2.406 24 3HG2 ILE 3 HG23 ILE 3 9.931 2.858 2.977 25 1HD1 ILE 3 HD11 ILE 3 10.144 0.745 -1.106 26 2HD1 ILE 3 HD12 ILE 3 8.996 2.065 -1.417 27 3HD1 ILE 3 HD13 ILE 3 10.591 2.413 -0.688 28 H VAL 4 H VAL 4 7.325 3.428 4.380 29 HA VAL 4 HA VAL 4 6.016 6.054 3.913 30 HB VAL 4 HB VAL 4 5.353 4.102 6.154 31 1HG1 VAL 4 HG11 VAL 4 3.274 5.467 6.351 32 2HG1 VAL 4 HG12 VAL 4 4.724 6.400 6.680 33 3HG1 VAL 4 HG13 VAL 4 3.899 6.569 5.108 34 1HG2 VAL 4 HG21 VAL 4 3.880 4.421 3.500 35 2HG2 VAL 4 HG22 VAL 4 4.606 2.940 4.161 36 3HG2 VAL 4 HG23 VAL 4 3.188 3.635 4.933 37 H LYS 5 H LYS 5 6.369 7.475 5.801 38 HA LYS 5 HA LYS 5 9.052 7.095 7.120 39 1HB LYS 5 HB2 LYS 5 7.801 9.583 5.904 40 2HB LYS 5 HB3 LYS 5 9.247 9.514 6.910 41 1HG LYS 5 HG2 LYS 5 9.997 7.651 5.102 42 2HG LYS 5 HG3 LYS 5 8.791 8.467 4.097 43 1HD LYS 5 HD2 LYS 5 10.913 9.510 3.629 44 2HD LYS 5 HD3 LYS 5 9.992 10.652 4.630 45 1HE LYS 5 HE2 LYS 5 11.169 9.292 6.623 46 2HE LYS 5 HE3 LYS 5 12.320 8.847 5.371 47 1HZ LYS 5 HZ1 LYS 5 11.659 11.654 6.099 48 2HZ LYS 5 HZ2 LYS 5 13.031 10.890 6.512 49 3HZ LYS 5 HZ3 LYS 5 12.726 11.214 4.945 50 H ALA 6 H ALA 6 8.791 7.099 9.316 51 HA ALA 6 HA ALA 6 6.366 8.417 10.485 52 1HB ALA 6 HB1 ALA 6 5.889 6.009 10.160 53 2HB ALA 6 HB2 ALA 6 7.347 5.602 11.107 54 3HB ALA 6 HB3 ALA 6 5.980 6.434 11.876 55 H THR 7 H THR 7 6.456 8.549 12.849 56 HA THR 7 HA THR 7 9.142 8.603 14.065 57 HB THR 7 HB THR 7 8.357 10.675 15.300 58 HG1 THR 7 HG1 THR 7 6.759 11.920 14.289 59 1HG2 THR 7 HG21 THR 7 8.719 11.063 12.286 60 2HG2 THR 7 HG22 THR 7 9.046 12.259 13.562 61 3HG2 THR 7 HG23 THR 7 10.032 10.795 13.449 62 H ASP 8 H ASP 8 8.736 8.828 16.550 63 HA ASP 8 HA ASP 8 7.302 6.692 17.513 64 1HB ASP 8 HB2 ASP 8 9.041 8.115 18.711 65 2HB ASP 8 HB3 ASP 8 7.765 9.282 19.039 66 H GLN 9 H GLN 9 6.083 9.898 16.789 67 HA GLN 9 HA GLN 9 3.640 9.830 18.243 68 1HB GLN 9 HB2 GLN 9 4.422 11.353 15.722 69 2HB GLN 9 HB3 GLN 9 3.000 11.690 16.712 70 1HG GLN 9 HG2 GLN 9 4.469 12.200 18.658 71 2HG GLN 9 HG3 GLN 9 5.895 11.926 17.655 72 1HE2 GLN 9 HE22 GLN 9 3.190 14.139 18.296 73 2HE2 GLN 9 HE21 GLN 9 3.784 15.448 17.308 74 H SER 10 H SER 10 4.528 8.539 15.056 75 HA SER 10 HA SER 10 1.687 7.873 14.481 76 1HB SER 10 HB2 SER 10 2.482 8.102 12.105 77 2HB SER 10 HB3 SER 10 2.530 9.584 13.080 78 HG SER 10 HG SER 10 4.415 9.430 11.941 79 H PHE 11 H PHE 11 4.812 6.478 14.987 80 HA PHE 11 HA PHE 11 4.960 4.404 13.262 81 1HB PHE 11 HB2 PHE 11 6.635 5.095 14.986 82 2HB PHE 11 HB3 PHE 11 5.679 4.296 16.225 83 HD1 PHE 11 HD1 PHE 11 7.606 3.801 13.071 84 HD2 PHE 11 HD2 PHE 11 5.913 1.901 16.559 85 HE1 PHE 11 HE1 PHE 11 8.842 1.737 12.544 86 HE2 PHE 11 HE2 PHE 11 7.147 -0.180 16.013 87 HZ PHE 11 HZ PHE 11 8.613 -0.274 14.019 88 H SER 12 H SER 12 3.218 4.193 16.439 89 HA SER 12 HA SER 12 2.450 1.519 16.153 90 1HB SER 12 HB2 SER 12 0.896 3.675 17.625 91 2HB SER 12 HB3 SER 12 0.988 1.946 18.010 92 HG SER 12 HG SER 12 2.354 3.226 19.345 93 H ALA 13 H ALA 13 0.826 4.474 15.010 94 HA ALA 13 HA ALA 13 -1.620 3.186 14.269 95 1HB ALA 13 HB1 ALA 13 -1.473 5.629 14.631 96 2HB ALA 13 HB2 ALA 13 -0.391 5.776 13.223 97 3HB ALA 13 HB3 ALA 13 -2.069 5.249 13.003 98 H GLU 14 H GLU 14 1.392 4.008 12.532 99 HA GLU 14 HA GLU 14 0.486 3.051 10.008 100 1HB GLU 14 HB2 GLU 14 3.293 3.469 11.127 101 2HB GLU 14 HB3 GLU 14 2.994 2.949 9.473 102 1HG GLU 14 HG2 GLU 14 2.074 5.565 10.718 103 2HG GLU 14 HG3 GLU 14 3.387 5.351 9.562 104 H THR 15 H THR 15 2.322 1.435 12.638 105 HA THR 15 HA THR 15 2.620 -0.986 11.140 106 HB THR 15 HB THR 15 3.560 -1.821 13.309 107 HG1 THR 15 HG1 THR 15 3.340 0.867 14.137 108 1HG2 THR 15 HG21 THR 15 4.673 0.767 12.131 109 2HG2 THR 15 HG22 THR 15 5.538 -0.260 13.282 110 3HG2 THR 15 HG23 THR 15 5.095 -0.902 11.697 111 H SER 16 H SER 16 -0.133 0.186 12.633 112 HA SER 16 HA SER 16 -1.061 -2.321 13.664 113 1HB SER 16 HB2 SER 16 -2.501 0.233 12.868 114 2HB SER 16 HB3 SER 16 -3.297 -1.139 13.658 115 HG SER 16 HG SER 16 -1.109 0.363 14.729 116 H GLU 17 H GLU 17 -0.893 -1.041 10.437 117 HA GLU 17 HA GLU 17 -3.215 -2.567 9.541 118 1HB GLU 17 HB2 GLU 17 -1.313 -0.747 8.023 119 2HB GLU 17 HB3 GLU 17 -2.754 -1.526 7.341 120 1HG GLU 17 HG2 GLU 17 -4.129 -0.406 9.148 121 2HG GLU 17 HG3 GLU 17 -2.691 0.517 9.598 122 H GLY 18 H GLY 18 -2.177 -4.636 10.296 123 1HA GLY 18 HA2 GLY 18 -1.922 -6.757 9.369 124 2HA GLY 18 HA3 GLY 18 -1.414 -6.037 7.838 125 H VAL 19 H VAL 19 0.393 -7.398 7.661 126 HA VAL 19 HA VAL 19 2.553 -7.304 9.650 127 HB VAL 19 HB VAL 19 2.536 -8.358 6.784 128 1HG1 VAL 19 HG11 VAL 19 4.668 -8.575 8.969 129 2HG1 VAL 19 HG12 VAL 19 4.684 -9.476 7.441 130 3HG1 VAL 19 HG13 VAL 19 4.846 -7.717 7.426 131 1HG2 VAL 19 HG21 VAL 19 2.597 -10.586 7.868 132 2HG2 VAL 19 HG22 VAL 19 2.466 -9.825 9.463 133 3HG2 VAL 19 HG23 VAL 19 1.123 -9.716 8.301 134 H VAL 20 H VAL 20 4.127 -5.814 9.679 135 HA VAL 20 HA VAL 20 4.506 -3.964 7.404 136 HB VAL 20 HB VAL 20 4.127 -3.146 10.327 137 1HG1 VAL 20 HG11 VAL 20 4.619 -1.474 7.823 138 2HG1 VAL 20 HG12 VAL 20 4.198 -0.822 9.415 139 3HG1 VAL 20 HG13 VAL 20 5.731 -1.668 9.189 140 1HG2 VAL 20 HG21 VAL 20 2.272 -2.928 7.916 141 2HG2 VAL 20 HG22 VAL 20 1.930 -3.607 9.515 142 3HG2 VAL 20 HG23 VAL 20 2.093 -1.864 9.308 143 H LEU 21 H LEU 21 6.711 -3.349 7.247 144 HA LEU 21 HA LEU 21 8.560 -4.674 9.191 145 1HB LEU 21 HB2 LEU 21 8.272 -5.872 7.031 146 2HB LEU 21 HB3 LEU 21 8.974 -4.477 6.191 147 HG LEU 21 HG LEU 21 10.333 -6.105 8.398 148 1HD1 LEU 21 HD11 LEU 21 11.679 -7.111 6.584 149 2HD1 LEU 21 HD12 LEU 21 9.963 -7.474 6.409 150 3HD1 LEU 21 HD13 LEU 21 10.711 -6.233 5.377 151 1HD2 LEU 21 HD21 LEU 21 12.441 -5.055 7.408 152 2HD2 LEU 21 HD22 LEU 21 11.376 -3.871 6.626 153 3HD2 LEU 21 HD23 LEU 21 11.433 -4.016 8.406 154 H ALA 22 H ALA 22 9.255 -3.077 10.391 155 HA ALA 22 HA ALA 22 9.468 -0.352 9.351 156 1HB ALA 22 HB1 ALA 22 9.917 -1.597 12.083 157 2HB ALA 22 HB2 ALA 22 10.097 0.132 11.727 158 3HB ALA 22 HB3 ALA 22 8.501 -0.649 11.564 159 H ASP 23 H ASP 23 11.405 0.778 9.314 160 HA ASP 23 HA ASP 23 13.961 -0.775 9.282 161 1HB ASP 23 HB2 ASP 23 13.345 -0.488 7.003 162 2HB ASP 23 HB3 ASP 23 12.785 1.162 7.271 163 H PHE 24 H PHE 24 14.688 -0.105 11.196 164 HA PHE 24 HA PHE 24 14.598 2.688 12.111 165 1HB PHE 24 HB2 PHE 24 15.740 0.101 13.249 166 2HB PHE 24 HB3 PHE 24 16.038 1.676 13.958 167 HD1 PHE 24 HD1 PHE 24 14.559 2.495 15.610 168 HD2 PHE 24 HD2 PHE 24 13.154 -0.512 12.851 169 HE1 PHE 24 HE1 PHE 24 12.338 2.534 16.691 170 HE2 PHE 24 HE2 PHE 24 10.944 -0.473 13.959 171 HZ PHE 24 HZ PHE 24 10.499 1.100 15.813 172 H TRP 25 H TRP 25 15.966 4.072 11.202 173 HA TRP 25 HA TRP 25 18.674 3.296 10.478 174 1HB TRP 25 HB2 TRP 25 18.361 3.062 8.287 175 2HB TRP 25 HB3 TRP 25 16.652 3.007 8.571 176 HD1 TRP 25 HD1 TRP 25 19.219 4.908 6.725 177 HE1 TRP 25 HE1 TRP 25 18.198 6.946 5.563 178 HE3 TRP 25 HE3 TRP 25 14.793 5.140 9.243 179 HZ2 TRP 25 HZ2 TRP 25 15.926 8.688 5.940 180 HZ3 TRP 25 HZ3 TRP 25 13.279 7.105 8.937 181 HH2 TRP 25 HH2 TRP 25 13.856 8.877 7.319 182 H ALA 26 H ALA 26 19.510 5.553 9.163 183 HA ALA 26 HA ALA 26 18.197 7.928 10.067 184 1HB ALA 26 HB1 ALA 26 19.632 7.493 12.077 185 2HB ALA 26 HB2 ALA 26 21.067 7.444 11.024 186 3HB ALA 26 HB3 ALA 26 20.117 8.945 11.199 187 HA PRO 27 HA PRO 27 19.985 8.743 6.052 188 1HB PRO 27 HB2 PRO 27 20.304 11.620 6.816 189 2HB PRO 27 HB3 PRO 27 19.514 10.886 5.379 190 1HG PRO 27 HG2 PRO 27 18.047 11.893 7.478 191 2HG PRO 27 HG3 PRO 27 17.546 10.408 6.613 192 1HD PRO 27 HD2 PRO 27 18.977 10.640 9.266 193 2HD PRO 27 HD3 PRO 27 17.645 9.544 8.776 194 H TRP 28 H TRP 28 21.754 9.634 8.950 195 HA TRP 28 HA TRP 28 24.201 10.273 7.611 196 1HB TRP 28 HB2 TRP 28 24.212 9.280 10.421 197 2HB TRP 28 HB3 TRP 28 25.080 10.629 9.700 198 HD1 TRP 28 HD1 TRP 28 22.229 9.775 11.779 199 HE1 TRP 28 HE1 TRP 28 20.543 11.671 12.123 200 HE3 TRP 28 HE3 TRP 28 24.018 13.019 8.274 201 HZ2 TRP 28 HZ2 TRP 28 20.068 14.323 11.018 202 HZ3 TRP 28 HZ3 TRP 28 22.919 15.215 7.912 203 HH2 TRP 28 HH2 TRP 28 20.948 15.875 9.277 204 H CYS 29 H CYS 29 22.560 7.333 8.123 205 HA CYS 29 HA CYS 29 24.617 5.509 8.751 206 1HB CYS 29 HB2 CYS 29 22.088 5.218 8.920 207 2HB CYS 29 HB3 CYS 29 22.061 5.081 7.190 208 H GLY 30 H GLY 30 25.708 3.991 7.384 209 1HA GLY 30 HA2 GLY 30 25.994 4.727 4.500 210 2HA GLY 30 HA3 GLY 30 27.152 3.807 5.461 211 HA PRO 31 HA PRO 31 25.418 -0.087 4.372 212 1HB PRO 31 HB2 PRO 31 24.435 -0.553 7.195 213 2HB PRO 31 HB3 PRO 31 25.316 -1.678 6.119 214 1HG PRO 31 HG2 PRO 31 26.652 -0.343 8.048 215 2HG PRO 31 HG3 PRO 31 27.356 -0.451 6.401 216 1HD PRO 31 HD2 PRO 31 25.862 1.853 7.662 217 2HD PRO 31 HD3 PRO 31 27.343 1.877 6.656 218 H CYS 32 H CYS 32 23.105 1.836 6.319 219 HA CYS 32 HA CYS 32 20.721 0.542 5.583 220 1HB CYS 32 HB2 CYS 32 21.064 3.532 5.910 221 2HB CYS 32 HB3 CYS 32 19.605 2.591 6.128 222 H LYS 33 H LYS 33 22.761 2.793 3.702 223 HA LYS 33 HA LYS 33 20.771 3.390 1.715 224 1HB LYS 33 HB2 LYS 33 23.799 3.508 1.437 225 2HB LYS 33 HB3 LYS 33 22.616 4.377 0.468 226 1HG LYS 33 HG2 LYS 33 23.120 4.828 3.449 227 2HG LYS 33 HG3 LYS 33 23.794 5.786 2.141 228 1HD LYS 33 HD2 LYS 33 21.630 6.649 1.518 229 2HD LYS 33 HD3 LYS 33 20.788 5.507 2.566 230 1HE LYS 33 HE2 LYS 33 20.893 7.836 3.508 231 2HE LYS 33 HE3 LYS 33 21.534 6.577 4.566 232 1HZ LYS 33 HZ1 LYS 33 23.277 8.260 2.860 233 2HZ LYS 33 HZ2 LYS 33 22.895 8.611 4.418 234 3HZ LYS 33 HZ3 LYS 33 23.721 7.250 4.106 235 H MET 34 H MET 34 22.899 0.631 2.271 236 HA MET 34 HA MET 34 22.851 -0.342 -0.434 237 1HB MET 34 HB2 MET 34 23.251 -1.931 2.123 238 2HB MET 34 HB3 MET 34 23.700 -2.418 0.488 239 1HG MET 34 HG2 MET 34 25.308 -0.482 0.420 240 2HG MET 34 HG3 MET 34 24.928 -0.160 2.110 241 1HE MET 34 HE1 MET 34 24.721 -3.681 2.808 242 2HE MET 34 HE2 MET 34 26.208 -3.596 3.772 243 3HE MET 34 HE3 MET 34 24.987 -2.307 3.897 244 H ILE 35 H ILE 35 20.853 -0.888 2.501 245 HA ILE 35 HA ILE 35 19.274 -2.881 1.121 246 HB ILE 35 HB ILE 35 19.874 -3.156 3.460 247 1HG1 ILE 35 HG12 ILE 35 16.862 -3.036 3.073 248 2HG1 ILE 35 HG13 ILE 35 17.922 -4.305 2.450 249 1HG2 ILE 35 HG21 ILE 35 17.978 -0.847 4.018 250 2HG2 ILE 35 HG22 ILE 35 18.743 -1.883 5.246 251 3HG2 ILE 35 HG23 ILE 35 19.751 -0.869 4.238 252 1HD1 ILE 35 HD11 ILE 35 16.861 -5.066 4.484 253 2HD1 ILE 35 HD12 ILE 35 18.596 -4.866 4.786 254 3HD1 ILE 35 HD13 ILE 35 17.429 -3.662 5.385 255 H ALA 36 H ALA 36 18.996 0.609 1.578 256 HA ALA 36 HA ALA 36 16.297 1.011 1.303 257 1HB ALA 36 HB1 ALA 36 18.519 2.610 -0.026 258 2HB ALA 36 HB2 ALA 36 16.850 3.155 0.221 259 3HB ALA 36 HB3 ALA 36 17.888 2.818 1.619 260 HA PRO 37 HA PRO 37 16.156 0.474 -3.427 261 1HB PRO 37 HB2 PRO 37 18.084 -1.015 -4.737 262 2HB PRO 37 HB3 PRO 37 18.108 0.768 -4.581 263 1HG PRO 37 HG2 PRO 37 19.533 -1.273 -2.854 264 2HG PRO 37 HG3 PRO 37 20.206 0.219 -3.588 265 1HD PRO 37 HD2 PRO 37 19.408 0.191 -1.017 266 2HD PRO 37 HD3 PRO 37 19.056 1.604 -2.046 267 H VAL 38 H VAL 38 17.434 -2.061 -1.302 268 HA VAL 38 HA VAL 38 16.045 -4.221 -2.592 269 HB VAL 38 HB VAL 38 16.925 -4.117 0.316 270 1HG1 VAL 38 HG11 VAL 38 15.487 -6.037 -0.433 271 2HG1 VAL 38 HG12 VAL 38 16.759 -6.448 -1.607 272 3HG1 VAL 38 HG13 VAL 38 17.097 -6.506 0.136 273 1HG2 VAL 38 HG21 VAL 38 19.050 -5.171 -0.430 274 2HG2 VAL 38 HG22 VAL 38 18.592 -4.897 -2.125 275 3HG2 VAL 38 HG23 VAL 38 18.910 -3.525 -1.051 276 H LEU 39 H LEU 39 15.272 -1.924 0.121 277 HA LEU 39 HA LEU 39 12.661 -2.932 0.574 278 1HB LEU 39 HB2 LEU 39 13.732 -0.112 0.965 279 2HB LEU 39 HB3 LEU 39 12.193 -0.704 1.561 280 HG LEU 39 HG LEU 39 14.934 -1.731 2.396 281 1HD1 LEU 39 HD11 LEU 39 14.400 0.515 3.264 282 2HD1 LEU 39 HD12 LEU 39 12.886 -0.102 3.954 283 3HD1 LEU 39 HD13 LEU 39 14.449 -0.694 4.553 284 1HD2 LEU 39 HD21 LEU 39 12.164 -2.581 3.345 285 2HD2 LEU 39 HD22 LEU 39 13.373 -3.591 2.521 286 3HD2 LEU 39 HD23 LEU 39 13.690 -3.002 4.154 287 H GLU 40 H GLU 40 13.865 -0.537 -1.854 288 HA GLU 40 HA GLU 40 11.247 -0.021 -2.879 289 1HB GLU 40 HB2 GLU 40 13.954 0.133 -4.248 290 2HB GLU 40 HB3 GLU 40 12.433 0.632 -4.991 291 1HG GLU 40 HG2 GLU 40 12.048 2.246 -3.142 292 2HG GLU 40 HG3 GLU 40 13.593 1.795 -2.424 293 H GLU 41 H GLU 41 13.582 -2.646 -3.645 294 HA GLU 41 HA GLU 41 11.902 -3.820 -5.644 295 1HB GLU 41 HB2 GLU 41 14.099 -4.981 -3.910 296 2HB GLU 41 HB3 GLU 41 13.189 -5.939 -5.083 297 1HG GLU 41 HG2 GLU 41 13.813 -4.357 -6.891 298 2HG GLU 41 HG3 GLU 41 14.780 -3.424 -5.758 299 H LEU 42 H LEU 42 11.975 -4.107 -2.101 300 HA LEU 42 HA LEU 42 9.882 -6.067 -1.993 301 1HB LEU 42 HB2 LEU 42 10.852 -4.058 0.075 302 2HB LEU 42 HB3 LEU 42 9.525 -5.190 0.357 303 HG LEU 42 HG LEU 42 12.447 -5.830 -0.085 304 1HD1 LEU 42 HD11 LEU 42 11.571 -5.081 2.158 305 2HD1 LEU 42 HD12 LEU 42 10.523 -6.515 2.174 306 3HD1 LEU 42 HD13 LEU 42 12.289 -6.687 2.138 307 1HD2 LEU 42 HD21 LEU 42 11.855 -8.230 0.171 308 2HD2 LEU 42 HD22 LEU 42 10.132 -7.816 0.067 309 3HD2 LEU 42 HD23 LEU 42 11.195 -7.580 -1.336 310 H ASP 43 H ASP 43 9.673 -2.445 -2.019 311 HA ASP 43 HA ASP 43 6.857 -2.282 -1.902 312 1HB ASP 43 HB2 ASP 43 8.102 -0.234 -2.050 313 2HB ASP 43 HB3 ASP 43 8.830 -0.703 -3.593 314 H GLN 44 H GLN 44 8.971 -2.956 -4.684 315 HA GLN 44 HA GLN 44 6.794 -3.195 -6.520 316 1HB GLN 44 HB2 GLN 44 9.731 -3.945 -6.711 317 2HB GLN 44 HB3 GLN 44 8.613 -4.005 -8.079 318 1HG GLN 44 HG2 GLN 44 8.195 -1.637 -7.991 319 2HG GLN 44 HG3 GLN 44 9.011 -1.456 -6.439 320 1HE2 GLN 44 HE22 GLN 44 11.289 -1.565 -6.327 321 2HE2 GLN 44 HE21 GLN 44 12.310 -1.360 -7.750 322 H GLU 45 H GLU 45 8.063 -5.524 -4.303 323 HA GLU 45 HA GLU 45 6.927 -7.802 -5.833 324 1HB GLU 45 HB2 GLU 45 9.207 -7.532 -3.847 325 2HB GLU 45 HB3 GLU 45 8.566 -9.096 -4.376 326 1HG GLU 45 HG2 GLU 45 8.948 -8.546 -6.748 327 2HG GLU 45 HG3 GLU 45 9.577 -6.965 -6.315 328 H MET 46 H MET 46 6.731 -6.176 -2.748 329 HA MET 46 HA MET 46 4.689 -8.175 -1.855 330 1HB MET 46 HB2 MET 46 6.611 -6.631 -0.078 331 2HB MET 46 HB3 MET 46 5.466 -7.889 0.388 332 1HG MET 46 HG2 MET 46 6.871 -9.351 -1.338 333 2HG MET 46 HG3 MET 46 8.104 -8.132 -1.007 334 1HE MET 46 HE1 MET 46 6.475 -11.468 1.665 335 2HE MET 46 HE2 MET 46 5.355 -10.310 0.898 336 3HE MET 46 HE3 MET 46 6.437 -11.299 -0.105 337 H GLY 47 H GLY 47 5.005 -4.871 -2.707 338 1HA GLY 47 HA2 GLY 47 3.817 -3.513 -0.613 339 2HA GLY 47 HA3 GLY 47 3.721 -3.043 -2.317 340 H ASP 48 H ASP 48 2.195 -5.852 -2.480 341 HA ASP 48 HA ASP 48 -0.497 -4.775 -2.372 342 1HB ASP 48 HB2 ASP 48 0.197 -6.309 -4.156 343 2HB ASP 48 HB3 ASP 48 0.583 -7.553 -2.964 344 H LYS 49 H LYS 49 1.598 -6.720 -0.315 345 HA LYS 49 HA LYS 49 -0.602 -7.163 1.663 346 1HB LYS 49 HB2 LYS 49 1.888 -8.812 1.039 347 2HB LYS 49 HB3 LYS 49 0.764 -9.179 2.332 348 1HG LYS 49 HG2 LYS 49 -0.115 -9.115 -0.586 349 2HG LYS 49 HG3 LYS 49 0.655 -10.513 0.148 350 1HD LYS 49 HD2 LYS 49 -1.598 -11.045 0.347 351 2HD LYS 49 HD3 LYS 49 -1.133 -10.502 1.944 352 1HE LYS 49 HE2 LYS 49 -3.209 -9.510 1.649 353 2HE LYS 49 HE3 LYS 49 -2.115 -8.188 1.257 354 1HZ LYS 49 HZ1 LYS 49 -3.863 -8.346 -0.359 355 2HZ LYS 49 HZ2 LYS 49 -2.473 -8.738 -1.123 356 3HZ LYS 49 HZ3 LYS 49 -3.536 -9.907 -0.688 357 H LEU 50 H LEU 50 2.542 -5.742 1.118 358 HA LEU 50 HA LEU 50 3.072 -5.656 4.030 359 1HB LEU 50 HB2 LEU 50 4.630 -6.933 2.551 360 2HB LEU 50 HB3 LEU 50 4.904 -5.466 1.606 361 HG LEU 50 HG LEU 50 5.949 -4.377 3.573 362 1HD1 LEU 50 HD11 LEU 50 5.560 -7.099 4.898 363 2HD1 LEU 50 HD12 LEU 50 6.549 -5.768 5.539 364 3HD1 LEU 50 HD13 LEU 50 4.805 -5.579 5.408 365 1HD2 LEU 50 HD21 LEU 50 7.335 -5.512 1.946 366 2HD2 LEU 50 HD22 LEU 50 8.008 -5.745 3.566 367 3HD2 LEU 50 HD23 LEU 50 7.109 -7.065 2.778 368 H LYS 51 H LYS 51 3.897 -3.777 4.938 369 HA LYS 51 HA LYS 51 3.978 -1.277 3.342 370 1HB LYS 51 HB2 LYS 51 1.942 -1.237 4.797 371 2HB LYS 51 HB3 LYS 51 2.955 -1.596 6.198 372 1HG LYS 51 HG2 LYS 51 4.244 0.575 5.647 373 2HG LYS 51 HG3 LYS 51 2.960 0.931 4.494 374 1HD LYS 51 HD2 LYS 51 2.600 0.455 7.491 375 2HD LYS 51 HD3 LYS 51 2.735 2.039 6.722 376 1HE LYS 51 HE2 LYS 51 0.694 1.548 5.367 377 2HE LYS 51 HE3 LYS 51 0.524 -0.003 6.213 378 1HZ LYS 51 HZ1 LYS 51 -0.837 1.739 7.219 379 2HZ LYS 51 HZ2 LYS 51 0.319 1.228 8.281 380 3HZ LYS 51 HZ3 LYS 51 0.495 2.669 7.496 381 H ILE 52 H ILE 52 5.841 -0.022 3.953 382 HA ILE 52 HA ILE 52 7.800 -1.435 5.684 383 HB ILE 52 HB ILE 52 8.233 0.002 3.042 384 1HG1 ILE 52 HG12 ILE 52 8.717 -2.925 3.733 385 2HG1 ILE 52 HG13 ILE 52 7.313 -2.328 2.852 386 1HG2 ILE 52 HG21 ILE 52 10.074 0.479 4.627 387 2HG2 ILE 52 HG22 ILE 52 10.298 -1.267 4.890 388 3HG2 ILE 52 HG23 ILE 52 10.615 -0.534 3.300 389 1HD1 ILE 52 HD11 ILE 52 8.823 -1.433 1.059 390 2HD1 ILE 52 HD12 ILE 52 10.176 -2.264 1.866 391 3HD1 ILE 52 HD13 ILE 52 8.800 -3.183 1.235 392 H VAL 53 H VAL 53 8.524 -0.053 7.342 393 HA VAL 53 HA VAL 53 7.632 2.823 7.119 394 HB VAL 53 HB VAL 53 7.314 0.927 9.470 395 1HG1 VAL 53 HG11 VAL 53 6.661 3.902 9.248 396 2HG1 VAL 53 HG12 VAL 53 6.174 2.839 10.590 397 3HG1 VAL 53 HG13 VAL 53 7.883 3.179 10.317 398 1HG2 VAL 53 HG21 VAL 53 5.273 2.416 7.749 399 2HG2 VAL 53 HG22 VAL 53 5.596 0.677 7.692 400 3HG2 VAL 53 HG23 VAL 53 4.907 1.396 9.154 401 H LYS 54 H LYS 54 9.492 3.870 6.735 402 HA LYS 54 HA LYS 54 11.978 3.161 8.108 403 1HB LYS 54 HB2 LYS 54 11.229 5.623 6.467 404 2HB LYS 54 HB3 LYS 54 12.856 5.156 6.989 405 1HG LYS 54 HG2 LYS 54 12.652 3.025 5.672 406 2HG LYS 54 HG3 LYS 54 11.084 3.567 5.078 407 1HD LYS 54 HD2 LYS 54 12.793 3.988 3.399 408 2HD LYS 54 HD3 LYS 54 12.098 5.496 3.985 409 1HE LYS 54 HE2 LYS 54 14.449 5.819 3.746 410 2HE LYS 54 HE3 LYS 54 14.074 5.833 5.469 411 1HZ LYS 54 HZ1 LYS 54 16.040 4.531 5.064 412 2HZ LYS 54 HZ2 LYS 54 14.892 3.472 5.542 413 3HZ LYS 54 HZ3 LYS 54 15.292 3.588 3.961 414 H ILE 55 H ILE 55 12.757 4.109 9.989 415 HA ILE 55 HA ILE 55 11.448 6.544 10.999 416 HB ILE 55 HB ILE 55 10.136 4.861 12.012 417 1HG1 ILE 55 HG12 ILE 55 12.088 5.807 14.143 418 2HG1 ILE 55 HG13 ILE 55 10.941 6.875 13.328 419 1HG2 ILE 55 HG21 ILE 55 11.626 2.884 11.838 420 2HG2 ILE 55 HG22 ILE 55 12.635 3.546 13.142 421 3HG2 ILE 55 HG23 ILE 55 10.960 3.070 13.457 422 1HD1 ILE 55 HD11 ILE 55 10.008 6.168 15.455 423 2HD1 ILE 55 HD12 ILE 55 9.049 5.489 14.131 424 3HD1 ILE 55 HD13 ILE 55 10.196 4.461 15.027 425 H ASP 56 H ASP 56 12.853 7.958 11.662 426 HA ASP 56 HA ASP 56 15.685 7.388 11.331 427 1HB ASP 56 HB2 ASP 56 14.730 9.369 10.332 428 2HB ASP 56 HB3 ASP 56 14.183 9.952 11.906 429 H VAL 57 H VAL 57 16.673 6.426 13.086 430 HA VAL 57 HA VAL 57 15.626 6.524 15.710 431 HB VAL 57 HB VAL 57 17.668 5.427 16.425 432 1HG1 VAL 57 HG11 VAL 57 16.804 4.338 13.716 433 2HG1 VAL 57 HG12 VAL 57 17.477 3.432 15.088 434 3HG1 VAL 57 HG13 VAL 57 15.878 4.186 15.219 435 1HG2 VAL 57 HG21 VAL 57 18.794 5.913 13.635 436 2HG2 VAL 57 HG22 VAL 57 19.392 6.641 15.137 437 3HG2 VAL 57 HG23 VAL 57 19.515 4.897 14.895 438 H ASP 58 H ASP 58 17.707 8.859 14.080 439 HA ASP 58 HA ASP 58 19.000 9.870 16.441 440 1HB ASP 58 HB2 ASP 58 19.830 10.224 14.128 441 2HB ASP 58 HB3 ASP 58 18.436 11.264 13.803 442 H GLU 59 H GLU 59 15.773 10.217 15.244 443 HA GLU 59 HA GLU 59 15.224 12.419 17.200 444 1HB GLU 59 HB2 GLU 59 13.869 11.788 14.548 445 2HB GLU 59 HB3 GLU 59 13.327 13.010 15.708 446 1HG GLU 59 HG2 GLU 59 15.610 14.109 15.484 447 2HG GLU 59 HG3 GLU 59 15.918 13.034 14.118 448 H ASN 60 H ASN 60 15.044 9.170 16.958 449 HA ASN 60 HA ASN 60 12.395 8.945 18.305 450 1HB ASN 60 HB2 ASN 60 13.239 7.331 15.867 451 2HB ASN 60 HB3 ASN 60 11.846 6.988 16.885 452 1HD2 ASN 60 HD22 ASN 60 13.034 9.023 14.325 453 2HD2 ASN 60 HD21 ASN 60 11.562 9.951 14.102 454 H GLN 61 H GLN 61 14.902 8.996 19.486 455 HA GLN 61 HA GLN 61 16.123 6.516 19.992 456 1HB GLN 61 HB2 GLN 61 15.727 8.969 21.750 457 2HB GLN 61 HB3 GLN 61 16.742 7.605 22.214 458 1HG GLN 61 HG2 GLN 61 17.173 9.232 19.672 459 2HG GLN 61 HG3 GLN 61 17.987 9.545 21.202 460 1HE2 GLN 61 HE22 GLN 61 17.970 7.586 18.339 461 2HE2 GLN 61 HE21 GLN 61 19.327 6.551 18.770 462 H GLU 62 H GLU 62 13.085 7.876 21.299 463 HA GLU 62 HA GLU 62 12.812 6.020 23.436 464 1HB GLU 62 HB2 GLU 62 10.705 7.559 21.848 465 2HB GLU 62 HB3 GLU 62 10.385 6.683 23.345 466 1HG GLU 62 HG2 GLU 62 12.262 9.070 23.042 467 2HG GLU 62 HG3 GLU 62 10.640 9.108 23.715 468 H THR 63 H THR 63 11.486 5.929 20.036 469 HA THR 63 HA THR 63 10.174 3.446 20.419 470 HB THR 63 HB THR 63 11.218 4.255 17.762 471 HG1 THR 63 HG1 THR 63 9.226 5.753 19.121 472 1HG2 THR 63 HG21 THR 63 8.407 3.504 18.637 473 2HG2 THR 63 HG22 THR 63 8.964 3.755 16.963 474 3HG2 THR 63 HG23 THR 63 9.600 2.408 17.912 475 H ALA 64 H ALA 64 13.435 4.327 19.174 476 HA ALA 64 HA ALA 64 14.318 1.703 18.539 477 1HB ALA 64 HB1 ALA 64 15.866 4.130 19.591 478 2HB ALA 64 HB2 ALA 64 16.610 2.706 18.862 479 3HB ALA 64 HB3 ALA 64 15.553 3.744 17.885 480 H GLY 65 H GLY 65 14.554 3.532 21.638 481 1HA GLY 65 HA2 GLY 65 15.784 1.509 23.178 482 2HA GLY 65 HA3 GLY 65 14.773 2.835 23.783 483 H LYS 66 H LYS 66 12.395 1.948 22.213 484 HA LYS 66 HA LYS 66 11.074 0.382 24.092 485 1HB LYS 66 HB2 LYS 66 10.187 1.879 22.162 486 2HB LYS 66 HB3 LYS 66 10.322 0.440 21.154 487 1HG LYS 66 HG2 LYS 66 8.745 -0.781 22.512 488 2HG LYS 66 HG3 LYS 66 8.785 0.460 23.784 489 1HD LYS 66 HD2 LYS 66 7.748 2.097 22.291 490 2HD LYS 66 HD3 LYS 66 7.818 0.960 20.945 491 1HE LYS 66 HE2 LYS 66 5.564 0.969 21.756 492 2HE LYS 66 HE3 LYS 66 6.287 -0.586 22.171 493 1HZ LYS 66 HZ1 LYS 66 5.020 0.353 24.005 494 2HZ LYS 66 HZ2 LYS 66 6.584 0.238 24.440 495 3HZ LYS 66 HZ3 LYS 66 5.942 1.692 24.042 496 H TYR 67 H TYR 67 13.017 -0.667 21.306 497 HA TYR 67 HA TYR 67 12.553 -3.506 22.138 498 1HB TYR 67 HB2 TYR 67 13.471 -2.802 19.386 499 2HB TYR 67 HB3 TYR 67 12.545 -4.189 19.932 500 HD1 TYR 67 HD1 TYR 67 10.055 -3.673 20.723 501 HD2 TYR 67 HD2 TYR 67 12.464 -0.949 18.399 502 HE1 TYR 67 HE1 TYR 67 8.018 -2.418 20.083 503 HE2 TYR 67 HE2 TYR 67 10.477 0.332 17.815 504 HH TYR 67 HH TYR 67 7.159 -0.602 18.899 505 H GLY 68 H GLY 68 14.738 -1.266 22.761 506 1HA GLY 68 HA2 GLY 68 16.957 -1.249 23.245 507 2HA GLY 68 HA3 GLY 68 16.943 -3.017 23.122 508 H VAL 69 H VAL 69 16.086 -0.858 20.400 509 HA VAL 69 HA VAL 69 18.116 -1.961 18.645 510 HB VAL 69 HB VAL 69 16.408 0.549 18.384 511 1HG1 VAL 69 HG11 VAL 69 18.010 -0.991 16.310 512 2HG1 VAL 69 HG12 VAL 69 16.847 0.300 15.941 513 3HG1 VAL 69 HG13 VAL 69 18.305 0.667 16.863 514 1HG2 VAL 69 HG21 VAL 69 14.973 -0.831 16.875 515 2HG2 VAL 69 HG22 VAL 69 15.889 -2.272 17.374 516 3HG2 VAL 69 HG23 VAL 69 14.932 -1.352 18.553 517 H MET 70 H MET 70 20.207 -1.407 18.648 518 HA MET 70 HA MET 70 21.092 1.198 19.778 519 1HB MET 70 HB2 MET 70 21.165 -0.800 21.389 520 2HB MET 70 HB3 MET 70 22.386 -1.502 20.328 521 1HG MET 70 HG2 MET 70 23.394 -0.413 22.253 522 2HG MET 70 HG3 MET 70 23.877 0.418 20.784 523 1HE MET 70 HE1 MET 70 24.799 2.439 22.188 524 2HE MET 70 HE2 MET 70 23.871 3.285 23.445 525 3HE MET 70 HE3 MET 70 24.343 1.587 23.681 526 H SER 71 H SER 71 20.942 -0.576 17.039 527 HA SER 71 HA SER 71 23.316 0.583 15.839 528 1HB SER 71 HB2 SER 71 22.644 -2.392 15.609 529 2HB SER 71 HB3 SER 71 23.964 -1.549 14.784 530 HG SER 71 HG SER 71 24.672 -2.693 16.640 531 H ILE 72 H ILE 72 23.050 0.411 13.391 532 HA ILE 72 HA ILE 72 20.369 -0.234 12.458 533 HB ILE 72 HB ILE 72 20.191 1.892 11.200 534 1HG1 ILE 72 HG12 ILE 72 22.318 3.008 13.076 535 2HG1 ILE 72 HG13 ILE 72 22.609 2.587 11.385 536 1HG2 ILE 72 HG21 ILE 72 20.185 2.383 14.200 537 2HG2 ILE 72 HG22 ILE 72 19.148 3.131 12.971 538 3HG2 ILE 72 HG23 ILE 72 18.961 1.421 13.352 539 1HD1 ILE 72 HD11 ILE 72 22.217 4.967 11.556 540 2HD1 ILE 72 HD12 ILE 72 20.881 4.204 10.674 541 3HD1 ILE 72 HD13 ILE 72 20.661 4.711 12.364 542 HA PRO 73 HA PRO 73 19.440 0.223 10.066 543 1HB PRO 73 HB2 PRO 73 18.924 -1.715 8.207 544 2HB PRO 73 HB3 PRO 73 19.597 -0.115 7.795 545 1HG PRO 73 HG2 PRO 73 21.073 -2.730 8.168 546 2HG PRO 73 HG3 PRO 73 21.285 -1.517 6.869 547 1HD PRO 73 HD2 PRO 73 22.931 -1.638 9.057 548 2HD PRO 73 HD3 PRO 73 22.506 -0.085 8.285 549 H THR 74 H THR 74 17.835 -0.740 11.234 550 HA THR 74 HA THR 74 18.125 -3.613 11.973 551 HB THR 74 HB THR 74 17.537 -1.298 13.855 552 HG1 THR 74 HG1 THR 74 19.528 -1.627 14.349 553 1HG2 THR 74 HG21 THR 74 17.185 -4.301 14.261 554 2HG2 THR 74 HG22 THR 74 17.355 -3.151 15.601 555 3HG2 THR 74 HG23 THR 74 15.983 -3.019 14.495 556 H LEU 75 H LEU 75 16.166 -4.720 12.051 557 HA LEU 75 HA LEU 75 13.966 -3.316 10.627 558 1HB LEU 75 HB2 LEU 75 15.021 -6.130 10.225 559 2HB LEU 75 HB3 LEU 75 13.654 -5.414 9.384 560 HG LEU 75 HG LEU 75 16.562 -4.503 9.173 561 1HD1 LEU 75 HD11 LEU 75 16.096 -6.704 8.136 562 2HD1 LEU 75 HD12 LEU 75 14.800 -5.966 7.168 563 3HD1 LEU 75 HD13 LEU 75 16.493 -5.471 6.937 564 1HD2 LEU 75 HD21 LEU 75 14.109 -3.485 7.683 565 2HD2 LEU 75 HD22 LEU 75 15.149 -2.578 8.795 566 3HD2 LEU 75 HD23 LEU 75 15.795 -3.125 7.251 567 H LEU 76 H LEU 76 12.005 -3.563 11.573 568 HA LEU 76 HA LEU 76 11.691 -5.674 13.703 569 1HB LEU 76 HB2 LEU 76 10.838 -2.757 13.682 570 2HB LEU 76 HB3 LEU 76 9.932 -3.950 14.579 571 HG LEU 76 HG LEU 76 11.499 -2.603 15.964 572 1HD1 LEU 76 HD11 LEU 76 12.009 -5.614 15.894 573 2HD1 LEU 76 HD12 LEU 76 12.394 -4.528 17.248 574 3HD1 LEU 76 HD13 LEU 76 10.715 -4.762 16.752 575 1HD2 LEU 76 HD21 LEU 76 13.849 -2.914 15.937 576 2HD2 LEU 76 HD22 LEU 76 13.759 -4.190 14.714 577 3HD2 LEU 76 HD23 LEU 76 13.374 -2.517 14.274 578 H VAL 77 H VAL 77 10.147 -7.075 13.076 579 HA VAL 77 HA VAL 77 8.318 -6.263 10.859 580 HB VAL 77 HB VAL 77 8.533 -9.039 12.035 581 1HG1 VAL 77 HG11 VAL 77 7.522 -9.702 9.894 582 2HG1 VAL 77 HG12 VAL 77 6.527 -8.475 10.691 583 3HG1 VAL 77 HG13 VAL 77 7.566 -8.016 9.329 584 1HG2 VAL 77 HG21 VAL 77 10.112 -8.009 9.634 585 2HG2 VAL 77 HG22 VAL 77 10.798 -8.592 11.169 586 3HG2 VAL 77 HG23 VAL 77 9.933 -9.708 10.112 587 H LEU 78 H LEU 78 6.356 -5.617 11.562 588 HA LEU 78 HA LEU 78 5.465 -6.425 14.278 589 1HB LEU 78 HB2 LEU 78 4.866 -3.821 12.794 590 2HB LEU 78 HB3 LEU 78 4.032 -4.388 14.233 591 HG LEU 78 HG LEU 78 6.539 -4.540 15.195 592 1HD1 LEU 78 HD11 LEU 78 6.724 -2.255 13.203 593 2HD1 LEU 78 HD12 LEU 78 7.881 -2.602 14.504 594 3HD1 LEU 78 HD13 LEU 78 7.668 -3.745 13.176 595 1HD2 LEU 78 HD21 LEU 78 5.034 -1.912 15.116 596 2HD2 LEU 78 HD22 LEU 78 4.661 -3.268 16.196 597 3HD2 LEU 78 HD23 LEU 78 6.217 -2.444 16.323 598 H LYS 79 H LYS 79 3.235 -6.927 14.413 599 HA LYS 79 HA LYS 79 1.773 -7.238 11.855 600 1HB LYS 79 HB2 LYS 79 2.844 -9.433 12.404 601 2HB LYS 79 HB3 LYS 79 1.998 -9.431 13.963 602 1HG LYS 79 HG2 LYS 79 -0.185 -9.332 12.680 603 2HG LYS 79 HG3 LYS 79 0.750 -9.395 11.181 604 1HD LYS 79 HD2 LYS 79 -0.091 -11.584 11.600 605 2HD LYS 79 HD3 LYS 79 1.654 -11.634 11.894 606 1HE LYS 79 HE2 LYS 79 1.263 -11.493 14.335 607 2HE LYS 79 HE3 LYS 79 -0.471 -11.288 14.067 608 1HZ LYS 79 HZ1 LYS 79 0.069 -13.563 14.654 609 2HZ LYS 79 HZ2 LYS 79 -0.544 -13.524 13.148 610 3HZ LYS 79 HZ3 LYS 79 1.062 -13.730 13.373 611 H ASP 80 H ASP 80 -0.070 -6.158 12.137 612 HA ASP 80 HA ASP 80 -1.832 -5.116 13.062 613 1HB ASP 80 HB2 ASP 80 -2.542 -7.460 13.223 614 2HB ASP 80 HB3 ASP 80 -1.887 -7.563 14.856 615 H GLY 81 H GLY 81 0.699 -4.226 14.039 616 1HA GLY 81 HA2 GLY 81 1.033 -2.325 15.285 617 2HA GLY 81 HA3 GLY 81 -0.315 -2.733 16.343 618 H GLU 82 H GLU 82 1.640 -5.533 16.288 619 HA GLU 82 HA GLU 82 3.408 -4.514 18.456 620 1HB GLU 82 HB2 GLU 82 2.939 -6.408 19.761 621 2HB GLU 82 HB3 GLU 82 1.380 -5.762 19.223 622 1HG GLU 82 HG2 GLU 82 1.206 -7.540 17.525 623 2HG GLU 82 HG3 GLU 82 2.767 -8.199 18.019 624 H VAL 83 H VAL 83 5.474 -5.613 18.636 625 HA VAL 83 HA VAL 83 6.624 -6.391 16.113 626 HB VAL 83 HB VAL 83 7.724 -6.767 18.918 627 1HG1 VAL 83 HG11 VAL 83 8.913 -8.164 17.258 628 2HG1 VAL 83 HG12 VAL 83 9.107 -6.765 16.180 629 3HG1 VAL 83 HG13 VAL 83 9.929 -6.819 17.757 630 1HG2 VAL 83 HG21 VAL 83 7.270 -4.371 18.458 631 2HG2 VAL 83 HG22 VAL 83 9.002 -4.706 18.454 632 3HG2 VAL 83 HG23 VAL 83 8.149 -4.495 16.917 633 H VAL 84 H VAL 84 6.772 -8.220 15.173 634 HA VAL 84 HA VAL 84 5.974 -10.695 16.592 635 HB VAL 84 HB VAL 84 4.447 -9.616 14.787 636 1HG1 VAL 84 HG11 VAL 84 6.058 -9.216 13.023 637 2HG1 VAL 84 HG12 VAL 84 6.467 -10.943 12.942 638 3HG1 VAL 84 HG13 VAL 84 4.855 -10.384 12.476 639 1HG2 VAL 84 HG21 VAL 84 5.166 -12.546 14.758 640 2HG2 VAL 84 HG22 VAL 84 3.967 -11.724 15.776 641 3HG2 VAL 84 HG23 VAL 84 3.701 -11.835 14.029 642 H GLU 85 H GLU 85 8.500 -9.042 14.643 643 HA GLU 85 HA GLU 85 10.304 -11.185 15.416 644 1HB GLU 85 HB2 GLU 85 9.234 -12.099 13.349 645 2HB GLU 85 HB3 GLU 85 9.795 -10.714 12.442 646 1HG GLU 85 HG2 GLU 85 11.112 -12.684 12.005 647 2HG GLU 85 HG3 GLU 85 12.111 -11.422 12.710 648 H THR 86 H THR 86 12.621 -10.625 14.723 649 HA THR 86 HA THR 86 13.025 -7.748 14.101 650 HB THR 86 HB THR 86 14.497 -9.228 16.313 651 HG1 THR 86 HG1 THR 86 12.341 -8.933 16.915 652 1HG2 THR 86 HG21 THR 86 14.369 -6.279 15.557 653 2HG2 THR 86 HG22 THR 86 15.110 -6.903 17.047 654 3HG2 THR 86 HG23 THR 86 15.787 -7.344 15.477 655 H SER 87 H SER 87 15.042 -7.363 13.007 656 HA SER 87 HA SER 87 17.029 -9.482 12.747 657 1HB SER 87 HB2 SER 87 15.502 -8.365 10.352 658 2HB SER 87 HB3 SER 87 17.053 -9.216 10.221 659 HG SER 87 HG SER 87 15.119 -10.471 11.748 660 H VAL 88 H VAL 88 19.077 -8.533 11.822 661 HA VAL 88 HA VAL 88 19.204 -5.567 12.029 662 HB VAL 88 HB VAL 88 21.081 -7.528 13.393 663 1HG1 VAL 88 HG11 VAL 88 22.244 -5.462 12.781 664 2HG1 VAL 88 HG12 VAL 88 20.941 -4.481 13.488 665 3HG1 VAL 88 HG13 VAL 88 21.979 -5.486 14.521 666 1HG2 VAL 88 HG21 VAL 88 20.191 -6.646 15.542 667 2HG2 VAL 88 HG22 VAL 88 18.955 -5.742 14.647 668 3HG2 VAL 88 HG23 VAL 88 18.961 -7.519 14.636 669 H GLY 89 H GLY 89 20.790 -4.637 10.678 670 1HA GLY 89 HA2 GLY 89 22.495 -4.526 9.147 671 2HA GLY 89 HA3 GLY 89 22.784 -6.258 9.323 672 H PHE 90 H PHE 90 23.096 -5.675 6.902 673 HA PHE 90 HA PHE 90 20.839 -5.310 5.185 674 1HB PHE 90 HB2 PHE 90 23.172 -4.798 4.565 675 2HB PHE 90 HB3 PHE 90 23.607 -6.495 4.705 676 HD1 PHE 90 HD1 PHE 90 22.959 -8.130 2.972 677 HD2 PHE 90 HD2 PHE 90 21.888 -3.964 2.636 678 HE1 PHE 90 HE1 PHE 90 22.335 -8.480 0.596 679 HE2 PHE 90 HE2 PHE 90 21.283 -4.320 0.252 680 HZ PHE 90 HZ PHE 90 21.490 -6.574 -0.765 681 H LYS 91 H LYS 91 19.771 -6.842 3.850 682 HA LYS 91 HA LYS 91 20.421 -9.646 3.944 683 1HB LYS 91 HB2 LYS 91 17.773 -8.617 5.056 684 2HB LYS 91 HB3 LYS 91 17.830 -10.121 4.156 685 1HG LYS 91 HG2 LYS 91 18.231 -11.124 6.099 686 2HG LYS 91 HG3 LYS 91 19.886 -10.584 5.880 687 1HD LYS 91 HD2 LYS 91 19.082 -8.420 7.203 688 2HD LYS 91 HD3 LYS 91 17.679 -9.416 7.610 689 1HE LYS 91 HE2 LYS 91 19.121 -9.887 9.403 690 2HE LYS 91 HE3 LYS 91 19.432 -11.232 8.299 691 1HZ LYS 91 HZ1 LYS 91 21.106 -8.936 8.959 692 2HZ LYS 91 HZ2 LYS 91 21.543 -10.500 8.807 693 3HZ LYS 91 HZ3 LYS 91 21.291 -9.579 7.456 694 HA PRO 92 HA PRO 92 19.084 -8.741 -0.245 695 1HB PRO 92 HB2 PRO 92 18.804 -11.254 -1.298 696 2HB PRO 92 HB3 PRO 92 20.398 -10.544 -0.901 697 1HG PRO 92 HG2 PRO 92 18.736 -12.441 0.784 698 2HG PRO 92 HG3 PRO 92 20.478 -12.558 0.381 699 1HD PRO 92 HD2 PRO 92 19.601 -11.489 2.738 700 2HD PRO 92 HD3 PRO 92 21.040 -10.843 1.896 701 H LYS 93 H LYS 93 17.162 -8.978 -1.635 702 HA LYS 93 HA LYS 93 14.799 -8.645 -0.171 703 1HB LYS 93 HB2 LYS 93 13.620 -8.588 -2.277 704 2HB LYS 93 HB3 LYS 93 15.120 -7.688 -2.393 705 1HG LYS 93 HG2 LYS 93 16.158 -9.683 -3.578 706 2HG LYS 93 HG3 LYS 93 14.549 -10.446 -3.560 707 1HD LYS 93 HD2 LYS 93 13.637 -8.421 -4.722 708 2HD LYS 93 HD3 LYS 93 15.286 -7.784 -4.835 709 1HE LYS 93 HE2 LYS 93 15.972 -9.713 -6.199 710 2HE LYS 93 HE3 LYS 93 14.364 -10.443 -6.011 711 1HZ LYS 93 HZ1 LYS 93 14.557 -9.262 -8.115 712 2HZ LYS 93 HZ2 LYS 93 13.420 -8.550 -7.150 713 3HZ LYS 93 HZ3 LYS 93 14.893 -7.847 -7.331 714 H GLU 94 H GLU 94 16.024 -11.629 -1.619 715 HA GLU 94 HA GLU 94 13.596 -13.101 -1.381 716 1HB GLU 94 HB2 GLU 94 16.499 -14.031 -1.414 717 2HB GLU 94 HB3 GLU 94 15.096 -15.107 -1.513 718 1HG GLU 94 HG2 GLU 94 14.342 -13.923 -3.575 719 2HG GLU 94 HG3 GLU 94 15.780 -12.902 -3.507 720 H ALA 95 H ALA 95 16.396 -12.706 0.861 721 HA ALA 95 HA ALA 95 15.365 -14.453 2.874 722 1HB ALA 95 HB1 ALA 95 17.038 -13.353 4.337 723 2HB ALA 95 HB2 ALA 95 17.744 -13.832 2.782 724 3HB ALA 95 HB3 ALA 95 17.325 -12.128 3.085 725 H LEU 96 H LEU 96 15.115 -10.934 2.292 726 HA LEU 96 HA LEU 96 13.582 -10.350 4.615 727 1HB LEU 96 HB2 LEU 96 13.617 -9.002 1.908 728 2HB LEU 96 HB3 LEU 96 12.813 -8.369 3.349 729 HG LEU 96 HG LEU 96 15.813 -8.867 3.181 730 1HD1 LEU 96 HD11 LEU 96 14.973 -7.064 1.632 731 2HD1 LEU 96 HD12 LEU 96 14.382 -6.186 3.062 732 3HD1 LEU 96 HD13 LEU 96 16.116 -6.523 2.858 733 1HD2 LEU 96 HD21 LEU 96 15.836 -7.374 5.209 734 2HD2 LEU 96 HD22 LEU 96 14.067 -7.482 5.260 735 3HD2 LEU 96 HD23 LEU 96 15.065 -8.939 5.486 736 H GLN 97 H GLN 97 12.561 -11.330 1.319 737 HA GLN 97 HA GLN 97 9.779 -11.144 1.824 738 1HB GLN 97 HB2 GLN 97 11.514 -12.686 -0.138 739 2HB GLN 97 HB3 GLN 97 9.824 -13.171 0.024 740 1HG GLN 97 HG2 GLN 97 8.995 -11.119 -0.668 741 2HG GLN 97 HG3 GLN 97 10.508 -10.262 -0.358 742 1HE2 GLN 97 HE22 GLN 97 12.061 -10.192 -1.973 743 2HE2 GLN 97 HE21 GLN 97 11.547 -10.466 -3.642 744 H GLU 98 H GLU 98 12.100 -13.763 2.543 745 HA GLU 98 HA GLU 98 10.045 -15.556 3.451 746 1HB GLU 98 HB2 GLU 98 13.040 -15.475 3.975 747 2HB GLU 98 HB3 GLU 98 11.977 -16.705 4.667 748 1HG GLU 98 HG2 GLU 98 11.225 -17.351 2.392 749 2HG GLU 98 HG3 GLU 98 12.336 -16.183 1.686 750 H LEU 99 H LEU 99 12.058 -13.123 5.118 751 HA LEU 99 HA LEU 99 11.225 -13.582 7.767 752 1HB LEU 99 HB2 LEU 99 13.181 -12.303 7.172 753 2HB LEU 99 HB3 LEU 99 12.238 -11.194 6.197 754 HG LEU 99 HG LEU 99 11.115 -10.319 8.194 755 1HD1 LEU 99 HD11 LEU 99 11.353 -12.234 9.715 756 2HD1 LEU 99 HD12 LEU 99 13.125 -12.106 9.647 757 3HD1 LEU 99 HD13 LEU 99 12.168 -10.824 10.418 758 1HD2 LEU 99 HD21 LEU 99 14.156 -10.214 8.200 759 2HD2 LEU 99 HD22 LEU 99 13.070 -9.226 7.201 760 3HD2 LEU 99 HD23 LEU 99 13.074 -9.026 8.965 761 H VAL 100 H VAL 100 9.753 -11.541 5.171 762 HA VAL 100 HA VAL 100 7.527 -10.674 6.748 763 HB VAL 100 HB VAL 100 7.910 -11.015 3.745 764 1HG1 VAL 100 HG11 VAL 100 5.729 -9.515 5.247 765 2HG1 VAL 100 HG12 VAL 100 6.069 -9.328 3.513 766 3HG1 VAL 100 HG13 VAL 100 5.532 -10.886 4.135 767 1HG2 VAL 100 HG21 VAL 100 7.971 -8.369 5.218 768 2HG2 VAL 100 HG22 VAL 100 9.438 -9.332 5.003 769 3HG2 VAL 100 HG23 VAL 100 8.567 -8.795 3.586 770 H ASN 101 H ASN 101 8.032 -13.384 4.487 771 HA ASN 101 HA ASN 101 5.411 -14.265 4.246 772 1HB ASN 101 HB2 ASN 101 7.359 -14.945 2.814 773 2HB ASN 101 HB3 ASN 101 7.901 -16.012 4.115 774 1HD2 ASN 101 HD22 ASN 101 5.684 -15.553 1.483 775 2HD2 ASN 101 HD21 ASN 101 4.873 -17.095 1.598 776 H LYS 102 H LYS 102 7.839 -15.216 6.673 777 HA LYS 102 HA LYS 102 6.294 -17.369 7.738 778 1HB LYS 102 HB2 LYS 102 7.863 -17.401 9.581 779 2HB LYS 102 HB3 LYS 102 8.683 -17.286 8.023 780 1HG LYS 102 HG2 LYS 102 9.024 -14.855 8.392 781 2HG LYS 102 HG3 LYS 102 8.247 -14.993 9.961 782 1HD LYS 102 HD2 LYS 102 10.797 -16.415 9.129 783 2HD LYS 102 HD3 LYS 102 10.754 -14.921 10.059 784 1HE LYS 102 HE2 LYS 102 9.430 -17.496 11.010 785 2HE LYS 102 HE3 LYS 102 11.115 -17.113 11.354 786 1HZ LYS 102 HZ1 LYS 102 9.475 -16.481 13.104 787 2HZ LYS 102 HZ2 LYS 102 10.493 -15.289 12.685 788 3HZ LYS 102 HZ3 LYS 102 8.941 -15.265 12.141 789 H HIS 103 H HIS 103 5.543 -14.098 7.926 790 HA HIS 103 HA HIS 103 3.707 -14.654 10.212 791 1HB HIS 103 HB2 HIS 103 5.173 -12.059 9.604 792 2HB HIS 103 HB3 HIS 103 3.906 -12.246 10.820 793 HD1 HIS 103 HD1 HIS 103 4.528 -14.262 12.767 794 HD2 HIS 103 HD2 HIS 103 7.604 -12.650 10.393 795 HE1 HIS 103 HE1 HIS 103 6.706 -14.880 13.916 796 H LEU 104 H LEU 104 3.771 -14.104 6.897 797 HA LEU 104 HA LEU 104 1.462 -12.414 6.609 798 1HB LEU 104 HB2 LEU 104 2.675 -14.574 4.848 799 2HB LEU 104 HB3 LEU 104 1.216 -13.695 4.405 800 HG LEU 104 HG LEU 104 3.965 -12.468 4.816 801 1HD1 LEU 104 HD11 LEU 104 3.913 -12.093 2.400 802 2HD1 LEU 104 HD12 LEU 104 3.680 -13.816 2.734 803 3HD1 LEU 104 HD13 LEU 104 2.291 -12.807 2.291 804 1HD2 LEU 104 HD21 LEU 104 2.324 -10.787 5.456 805 2HD2 LEU 104 HD22 LEU 104 2.932 -10.389 3.854 806 3HD2 LEU 104 HD23 LEU 104 1.334 -11.145 4.022 Start of MODEL 2 1 1H MET 1 H1 MET 1 -0.224 -0.151 -2.044 2 2H MET 1 H2 MET 1 0.023 -1.634 -1.396 3 3H MET 1 H3 MET 1 -1.315 -0.766 -0.979 4 HA MET 1 HA MET 1 0.017 0.884 0.096 5 1HB MET 1 HB2 MET 1 -0.798 -1.094 1.372 6 2HB MET 1 HB3 MET 1 0.716 -1.928 1.053 7 1HG MET 1 HG2 MET 1 0.555 -0.912 3.301 8 2HG MET 1 HG3 MET 1 1.954 -0.381 2.382 9 1HE MET 1 HE1 MET 1 -1.415 0.567 4.071 10 2HE MET 1 HE2 MET 1 -1.720 2.222 3.501 11 3HE MET 1 HE3 MET 1 -1.886 0.856 2.380 12 H ALA 2 H ALA 2 2.300 1.347 1.032 13 HA ALA 2 HA ALA 2 4.442 0.656 -0.878 14 1HB ALA 2 HB1 ALA 2 3.168 2.556 -1.877 15 2HB ALA 2 HB2 ALA 2 3.440 3.496 -0.390 16 3HB ALA 2 HB3 ALA 2 4.809 3.022 -1.418 17 H ILE 3 H ILE 3 6.398 2.313 -0.144 18 HA ILE 3 HA ILE 3 6.980 1.836 2.660 19 HB ILE 3 HB ILE 3 8.293 3.564 0.527 20 1HG1 ILE 3 HG12 ILE 3 9.693 1.137 1.598 21 2HG1 ILE 3 HG13 ILE 3 8.273 0.794 0.622 22 1HG2 ILE 3 HG21 ILE 3 10.326 3.554 2.006 23 2HG2 ILE 3 HG22 ILE 3 8.984 4.478 2.672 24 3HG2 ILE 3 HG23 ILE 3 9.337 2.855 3.306 25 1HD1 ILE 3 HD11 ILE 3 10.576 2.563 -0.277 26 2HD1 ILE 3 HD12 ILE 3 10.325 0.863 -0.715 27 3HD1 ILE 3 HD13 ILE 3 9.143 2.091 -1.233 28 H VAL 4 H VAL 4 6.978 3.361 4.300 29 HA VAL 4 HA VAL 4 5.725 6.015 3.905 30 HB VAL 4 HB VAL 4 4.971 3.964 6.038 31 1HG1 VAL 4 HG11 VAL 4 3.030 5.508 6.467 32 2HG1 VAL 4 HG12 VAL 4 4.582 6.158 6.934 33 3HG1 VAL 4 HG13 VAL 4 3.810 6.709 5.420 34 1HG2 VAL 4 HG21 VAL 4 4.014 3.173 3.945 35 2HG2 VAL 4 HG22 VAL 4 2.724 3.869 4.912 36 3HG2 VAL 4 HG23 VAL 4 3.402 4.798 3.560 37 H LYS 5 H LYS 5 6.154 7.307 5.990 38 HA LYS 5 HA LYS 5 8.737 6.549 7.280 39 1HB LYS 5 HB2 LYS 5 8.958 8.375 5.613 40 2HB LYS 5 HB3 LYS 5 7.868 9.364 6.587 41 1HG LYS 5 HG2 LYS 5 9.399 9.684 8.290 42 2HG LYS 5 HG3 LYS 5 10.206 8.131 8.041 43 1HD LYS 5 HD2 LYS 5 10.424 10.453 6.095 44 2HD LYS 5 HD3 LYS 5 11.598 10.136 7.388 45 1HE LYS 5 HE2 LYS 5 12.298 8.080 6.465 46 2HE LYS 5 HE3 LYS 5 10.838 7.884 5.514 47 1HZ LYS 5 HZ1 LYS 5 12.740 8.535 4.118 48 2HZ LYS 5 HZ2 LYS 5 11.606 9.699 4.067 49 3HZ LYS 5 HZ3 LYS 5 12.953 9.915 4.961 50 H ALA 6 H ALA 6 8.693 7.024 9.571 51 HA ALA 6 HA ALA 6 6.208 8.170 10.722 52 1HB ALA 6 HB1 ALA 6 5.915 6.257 12.232 53 2HB ALA 6 HB2 ALA 6 5.780 5.733 10.551 54 3HB ALA 6 HB3 ALA 6 7.278 5.414 11.468 55 H THR 7 H THR 7 6.381 8.311 13.081 56 HA THR 7 HA THR 7 9.083 8.719 14.204 57 HB THR 7 HB THR 7 8.010 10.722 15.368 58 HG1 THR 7 HG1 THR 7 6.228 11.655 14.290 59 1HG2 THR 7 HG21 THR 7 9.648 11.000 13.528 60 2HG2 THR 7 HG22 THR 7 8.326 10.975 12.338 61 3HG2 THR 7 HG23 THR 7 8.438 12.292 13.529 62 H ASP 8 H ASP 8 8.780 8.926 16.685 63 HA ASP 8 HA ASP 8 7.522 6.717 17.741 64 1HB ASP 8 HB2 ASP 8 9.236 8.220 18.861 65 2HB ASP 8 HB3 ASP 8 7.928 9.337 19.235 66 H GLN 9 H GLN 9 6.100 9.866 17.117 67 HA GLN 9 HA GLN 9 3.720 9.594 18.668 68 1HB GLN 9 HB2 GLN 9 4.380 11.311 16.239 69 2HB GLN 9 HB3 GLN 9 2.962 11.525 17.271 70 1HG GLN 9 HG2 GLN 9 4.449 11.959 19.227 71 2HG GLN 9 HG3 GLN 9 5.862 11.833 18.177 72 1HE2 GLN 9 HE22 GLN 9 3.170 13.892 19.153 73 2HE2 GLN 9 HE21 GLN 9 3.632 15.282 18.205 74 H SER 10 H SER 10 4.599 8.517 15.417 75 HA SER 10 HA SER 10 1.754 7.933 14.761 76 1HB SER 10 HB2 SER 10 2.607 8.193 12.412 77 2HB SER 10 HB3 SER 10 2.683 9.655 13.416 78 HG SER 10 HG SER 10 4.798 9.624 13.397 79 H PHE 11 H PHE 11 4.860 6.433 15.207 80 HA PHE 11 HA PHE 11 4.912 4.379 13.438 81 1HB PHE 11 HB2 PHE 11 6.654 5.012 15.107 82 2HB PHE 11 HB3 PHE 11 5.712 4.251 16.379 83 HD1 PHE 11 HD1 PHE 11 7.746 3.734 13.333 84 HD2 PHE 11 HD2 PHE 11 5.697 1.793 16.599 85 HE1 PHE 11 HE1 PHE 11 8.946 1.641 12.839 86 HE2 PHE 11 HE2 PHE 11 6.881 -0.321 16.073 87 HZ PHE 11 HZ PHE 11 8.513 -0.408 14.204 88 H SER 12 H SER 12 3.217 4.222 16.637 89 HA SER 12 HA SER 12 2.450 1.545 16.401 90 1HB SER 12 HB2 SER 12 0.909 3.720 17.863 91 2HB SER 12 HB3 SER 12 1.007 1.997 18.273 92 HG SER 12 HG SER 12 2.390 3.295 19.572 93 H ALA 13 H ALA 13 0.815 4.469 15.197 94 HA ALA 13 HA ALA 13 -1.606 3.092 14.464 95 1HB ALA 13 HB1 ALA 13 -1.567 5.541 14.843 96 2HB ALA 13 HB2 ALA 13 -0.463 5.742 13.461 97 3HB ALA 13 HB3 ALA 13 -2.116 5.153 13.201 98 H GLU 14 H GLU 14 1.387 4.053 12.773 99 HA GLU 14 HA GLU 14 0.533 3.150 10.219 100 1HB GLU 14 HB2 GLU 14 3.318 3.589 11.380 101 2HB GLU 14 HB3 GLU 14 3.056 3.092 9.712 102 1HG GLU 14 HG2 GLU 14 2.082 5.672 10.989 103 2HG GLU 14 HG3 GLU 14 3.395 5.494 9.826 104 H THR 15 H THR 15 2.107 1.415 12.902 105 HA THR 15 HA THR 15 2.516 -0.935 11.291 106 HB THR 15 HB THR 15 3.409 -1.835 13.457 107 HG1 THR 15 HG1 THR 15 3.241 0.847 14.318 108 1HG2 THR 15 HG21 THR 15 4.544 0.769 12.321 109 2HG2 THR 15 HG22 THR 15 5.408 -0.299 13.434 110 3HG2 THR 15 HG23 THR 15 4.937 -0.890 11.837 111 H SER 16 H SER 16 -0.318 0.189 12.464 112 HA SER 16 HA SER 16 -1.272 -2.448 13.383 113 1HB SER 16 HB2 SER 16 -2.469 0.334 13.681 114 2HB SER 16 HB3 SER 16 -3.210 -1.166 14.269 115 HG SER 16 HG SER 16 -0.834 0.100 15.133 116 H GLU 17 H GLU 17 -0.711 -1.953 10.591 117 HA GLU 17 HA GLU 17 -3.416 -2.476 9.457 118 1HB GLU 17 HB2 GLU 17 -1.345 -0.582 8.287 119 2HB GLU 17 HB3 GLU 17 -2.792 -1.170 7.448 120 1HG GLU 17 HG2 GLU 17 -4.177 -0.211 9.352 121 2HG GLU 17 HG3 GLU 17 -2.706 0.590 9.924 122 H GLY 18 H GLY 18 -2.325 -4.657 10.080 123 1HA GLY 18 HA2 GLY 18 -2.076 -6.680 8.933 124 2HA GLY 18 HA3 GLY 18 -1.479 -5.819 7.510 125 H VAL 19 H VAL 19 0.317 -7.233 7.358 126 HA VAL 19 HA VAL 19 2.373 -7.252 9.457 127 HB VAL 19 HB VAL 19 2.578 -8.086 6.525 128 1HG1 VAL 19 HG11 VAL 19 4.813 -7.577 7.503 129 2HG1 VAL 19 HG12 VAL 19 4.439 -8.603 8.900 130 3HG1 VAL 19 HG13 VAL 19 4.616 -9.317 7.284 131 1HG2 VAL 19 HG21 VAL 19 0.967 -9.532 7.715 132 2HG2 VAL 19 HG22 VAL 19 2.461 -10.407 7.386 133 3HG2 VAL 19 HG23 VAL 19 2.141 -9.788 9.022 134 H VAL 20 H VAL 20 3.996 -5.774 9.594 135 HA VAL 20 HA VAL 20 4.382 -3.790 7.436 136 HB VAL 20 HB VAL 20 4.003 -3.139 10.397 137 1HG1 VAL 20 HG11 VAL 20 4.575 -1.372 7.980 138 2HG1 VAL 20 HG12 VAL 20 4.068 -0.754 9.561 139 3HG1 VAL 20 HG13 VAL 20 5.608 -1.601 9.402 140 1HG2 VAL 20 HG21 VAL 20 1.808 -3.553 9.538 141 2HG2 VAL 20 HG22 VAL 20 1.978 -1.801 9.457 142 3HG2 VAL 20 HG23 VAL 20 2.161 -2.761 7.994 143 H LEU 21 H LEU 21 6.558 -3.215 7.257 144 HA LEU 21 HA LEU 21 8.474 -4.627 9.074 145 1HB LEU 21 HB2 LEU 21 8.274 -5.799 6.954 146 2HB LEU 21 HB3 LEU 21 8.511 -4.291 6.060 147 HG LEU 21 HG LEU 21 10.817 -4.110 7.065 148 1HD1 LEU 21 HD11 LEU 21 11.858 -6.135 7.999 149 2HD1 LEU 21 HD12 LEU 21 10.649 -5.417 9.068 150 3HD1 LEU 21 HD13 LEU 21 10.259 -6.882 8.097 151 1HD2 LEU 21 HD21 LEU 21 11.817 -5.813 5.598 152 2HD2 LEU 21 HD22 LEU 21 10.265 -6.679 5.513 153 3HD2 LEU 21 HD23 LEU 21 10.432 -5.060 4.799 154 H ALA 22 H ALA 22 9.150 -3.008 10.347 155 HA ALA 22 HA ALA 22 9.405 -0.284 9.319 156 1HB ALA 22 HB1 ALA 22 8.491 -0.571 11.565 157 2HB ALA 22 HB2 ALA 22 9.914 -1.534 12.037 158 3HB ALA 22 HB3 ALA 22 10.099 0.193 11.662 159 H ASP 23 H ASP 23 11.378 0.786 9.260 160 HA ASP 23 HA ASP 23 13.895 -0.815 9.274 161 1HB ASP 23 HB2 ASP 23 13.269 -0.584 6.966 162 2HB ASP 23 HB3 ASP 23 12.871 1.122 7.180 163 H PHE 24 H PHE 24 14.627 -0.115 11.134 164 HA PHE 24 HA PHE 24 14.559 2.677 12.039 165 1HB PHE 24 HB2 PHE 24 15.687 0.072 13.153 166 2HB PHE 24 HB3 PHE 24 16.035 1.641 13.857 167 HD1 PHE 24 HD1 PHE 24 13.051 -0.437 12.773 168 HD2 PHE 24 HD2 PHE 24 14.635 2.429 15.583 169 HE1 PHE 24 HE1 PHE 24 10.864 -0.329 13.919 170 HE2 PHE 24 HE2 PHE 24 12.434 2.543 16.699 171 HZ PHE 24 HZ PHE 24 10.520 1.211 15.817 172 H TRP 25 H TRP 25 15.898 4.054 11.117 173 HA TRP 25 HA TRP 25 18.599 3.307 10.351 174 1HB TRP 25 HB2 TRP 25 18.237 3.076 8.174 175 2HB TRP 25 HB3 TRP 25 16.519 3.103 8.454 176 HD1 TRP 25 HD1 TRP 25 19.217 4.904 6.682 177 HE1 TRP 25 HE1 TRP 25 18.328 7.023 5.556 178 HE3 TRP 25 HE3 TRP 25 14.746 5.325 9.108 179 HZ2 TRP 25 HZ2 TRP 25 16.235 8.940 6.027 180 HZ3 TRP 25 HZ3 TRP 25 13.384 7.401 8.860 181 HH2 TRP 25 HH2 TRP 25 14.167 9.239 7.378 182 H ALA 26 H ALA 26 19.416 5.570 9.103 183 HA ALA 26 HA ALA 26 18.121 7.947 10.006 184 1HB ALA 26 HB1 ALA 26 20.895 7.296 11.111 185 2HB ALA 26 HB2 ALA 26 20.084 8.882 11.216 186 3HB ALA 26 HB3 ALA 26 19.415 7.495 12.081 187 HA PRO 27 HA PRO 27 20.110 8.669 6.149 188 1HB PRO 27 HB2 PRO 27 20.230 11.411 5.895 189 2HB PRO 27 HB3 PRO 27 18.765 10.407 5.703 190 1HG PRO 27 HG2 PRO 27 19.666 11.967 8.143 191 2HG PRO 27 HG3 PRO 27 18.016 11.846 7.449 192 1HD PRO 27 HD2 PRO 27 18.837 10.361 9.606 193 2HD PRO 27 HD3 PRO 27 17.667 9.734 8.406 194 H TRP 28 H TRP 28 21.810 9.708 9.034 195 HA TRP 28 HA TRP 28 24.265 10.350 7.646 196 1HB TRP 28 HB2 TRP 28 25.350 10.194 9.759 197 2HB TRP 28 HB3 TRP 28 23.846 11.064 9.966 198 HD1 TRP 28 HD1 TRP 28 22.121 10.092 11.646 199 HE1 TRP 28 HE1 TRP 28 22.140 8.236 13.392 200 HE3 TRP 28 HE3 TRP 28 26.388 7.659 10.183 201 HZ2 TRP 28 HZ2 TRP 28 23.717 5.878 13.989 202 HZ3 TRP 28 HZ3 TRP 28 27.098 5.588 11.336 203 HH2 TRP 28 HH2 TRP 28 25.769 4.681 13.232 204 H CYS 29 H CYS 29 22.558 7.395 8.233 205 HA CYS 29 HA CYS 29 24.583 5.571 8.798 206 1HB CYS 29 HB2 CYS 29 22.059 5.291 8.935 207 2HB CYS 29 HB3 CYS 29 22.044 5.145 7.207 208 H GLY 30 H GLY 30 25.822 4.168 7.534 209 1HA GLY 30 HA2 GLY 30 26.155 4.756 4.637 210 2HA GLY 30 HA3 GLY 30 27.250 3.833 5.670 211 HA PRO 31 HA PRO 31 25.527 0.068 4.494 212 1HB PRO 31 HB2 PRO 31 24.620 -1.381 6.690 213 2HB PRO 31 HB3 PRO 31 26.331 -1.123 6.245 214 1HG PRO 31 HG2 PRO 31 24.689 0.379 8.286 215 2HG PRO 31 HG3 PRO 31 26.378 -0.193 8.412 216 1HD PRO 31 HD2 PRO 31 25.722 2.381 7.815 217 2HD PRO 31 HD3 PRO 31 27.170 1.604 7.104 218 H CYS 32 H CYS 32 23.142 1.855 6.430 219 HA CYS 32 HA CYS 32 20.805 0.490 5.642 220 1HB CYS 32 HB2 CYS 32 21.022 3.496 5.913 221 2HB CYS 32 HB3 CYS 32 19.610 2.481 6.142 222 H LYS 33 H LYS 33 22.858 2.790 3.823 223 HA LYS 33 HA LYS 33 20.924 3.309 1.770 224 1HB LYS 33 HB2 LYS 33 23.944 3.518 1.522 225 2HB LYS 33 HB3 LYS 33 22.730 4.391 0.596 226 1HG LYS 33 HG2 LYS 33 23.343 4.759 3.560 227 2HG LYS 33 HG3 LYS 33 23.854 5.813 2.252 228 1HD LYS 33 HD2 LYS 33 21.563 6.521 1.827 229 2HD LYS 33 HD3 LYS 33 20.924 5.309 2.941 230 1HE LYS 33 HE2 LYS 33 20.919 7.548 3.985 231 2HE LYS 33 HE3 LYS 33 21.948 6.395 4.860 232 1HZ LYS 33 HZ1 LYS 33 23.070 8.320 2.917 233 2HZ LYS 33 HZ2 LYS 33 22.899 8.644 4.518 234 3HZ LYS 33 HZ3 LYS 33 23.851 7.407 4.066 235 H MET 34 H MET 34 23.090 0.601 2.396 236 HA MET 34 HA MET 34 23.147 -0.371 -0.310 237 1HB MET 34 HB2 MET 34 23.507 -1.941 2.268 238 2HB MET 34 HB3 MET 34 23.977 -2.447 0.645 239 1HG MET 34 HG2 MET 34 25.559 -0.484 0.567 240 2HG MET 34 HG3 MET 34 25.175 -0.167 2.257 241 1HE MET 34 HE1 MET 34 24.992 -3.607 3.059 242 2HE MET 34 HE2 MET 34 26.535 -3.561 3.934 243 3HE MET 34 HE3 MET 34 25.372 -2.228 4.112 244 H ILE 35 H ILE 35 21.120 -1.022 2.587 245 HA ILE 35 HA ILE 35 19.574 -2.977 1.117 246 HB ILE 35 HB ILE 35 20.172 -3.333 3.452 247 1HG1 ILE 35 HG12 ILE 35 17.168 -3.267 3.010 248 2HG1 ILE 35 HG13 ILE 35 18.269 -4.502 2.394 249 1HG2 ILE 35 HG21 ILE 35 18.213 -1.105 4.121 250 2HG2 ILE 35 HG22 ILE 35 19.029 -2.170 5.285 251 3HG2 ILE 35 HG23 ILE 35 19.983 -1.061 4.317 252 1HD1 ILE 35 HD11 ILE 35 17.200 -5.365 4.347 253 2HD1 ILE 35 HD12 ILE 35 18.869 -5.005 4.816 254 3HD1 ILE 35 HD13 ILE 35 17.552 -3.912 5.292 255 H ALA 36 H ALA 36 19.219 0.484 1.765 256 HA ALA 36 HA ALA 36 16.530 0.859 1.530 257 1HB ALA 36 HB1 ALA 36 17.040 3.064 0.537 258 2HB ALA 36 HB2 ALA 36 18.077 2.672 1.922 259 3HB ALA 36 HB3 ALA 36 18.719 2.553 0.272 260 HA PRO 37 HA PRO 37 16.287 0.646 -3.218 261 1HB PRO 37 HB2 PRO 37 18.205 -0.703 -4.678 262 2HB PRO 37 HB3 PRO 37 18.220 1.062 -4.378 263 1HG PRO 37 HG2 PRO 37 19.699 -1.101 -2.853 264 2HG PRO 37 HG3 PRO 37 20.343 0.453 -3.476 265 1HD PRO 37 HD2 PRO 37 19.596 0.196 -0.901 266 2HD PRO 37 HD3 PRO 37 19.225 1.693 -1.799 267 H VAL 38 H VAL 38 17.759 -2.026 -1.393 268 HA VAL 38 HA VAL 38 16.360 -4.102 -2.788 269 HB VAL 38 HB VAL 38 17.390 -4.231 0.072 270 1HG1 VAL 38 HG11 VAL 38 17.660 -6.609 -0.435 271 2HG1 VAL 38 HG12 VAL 38 15.980 -6.115 -0.644 272 3HG1 VAL 38 HG13 VAL 38 17.001 -6.355 -2.082 273 1HG2 VAL 38 HG21 VAL 38 19.271 -3.458 -1.323 274 2HG2 VAL 38 HG22 VAL 38 19.488 -5.144 -0.865 275 3HG2 VAL 38 HG23 VAL 38 18.939 -4.740 -2.508 276 H LEU 39 H LEU 39 15.643 -2.089 0.145 277 HA LEU 39 HA LEU 39 13.143 -3.321 0.707 278 1HB LEU 39 HB2 LEU 39 14.201 -0.528 1.272 279 2HB LEU 39 HB3 LEU 39 12.623 -1.069 1.825 280 HG LEU 39 HG LEU 39 15.139 -2.614 2.475 281 1HD1 LEU 39 HD11 LEU 39 15.471 -0.341 3.312 282 2HD1 LEU 39 HD12 LEU 39 13.887 -0.374 4.117 283 3HD1 LEU 39 HD13 LEU 39 15.195 -1.452 4.659 284 1HD2 LEU 39 HD21 LEU 39 12.954 -3.784 2.831 285 2HD2 LEU 39 HD22 LEU 39 13.828 -3.510 4.341 286 3HD2 LEU 39 HD23 LEU 39 12.451 -2.473 3.913 287 H GLU 40 H GLU 40 14.009 -0.605 -1.501 288 HA GLU 40 HA GLU 40 11.320 -0.114 -2.311 289 1HB GLU 40 HB2 GLU 40 13.935 0.285 -3.803 290 2HB GLU 40 HB3 GLU 40 12.360 0.767 -4.437 291 1HG GLU 40 HG2 GLU 40 11.984 2.214 -2.470 292 2HG GLU 40 HG3 GLU 40 13.559 1.767 -1.820 293 H GLU 41 H GLU 41 13.724 -2.433 -3.630 294 HA GLU 41 HA GLU 41 11.988 -3.438 -5.661 295 1HB GLU 41 HB2 GLU 41 14.421 -4.598 -4.262 296 2HB GLU 41 HB3 GLU 41 13.535 -5.479 -5.512 297 1HG GLU 41 HG2 GLU 41 13.903 -3.684 -7.130 298 2HG GLU 41 HG3 GLU 41 14.713 -2.696 -5.921 299 H LEU 42 H LEU 42 12.477 -4.373 -2.279 300 HA LEU 42 HA LEU 42 10.772 -6.640 -2.236 301 1HB LEU 42 HB2 LEU 42 12.541 -5.927 -0.576 302 2HB LEU 42 HB3 LEU 42 11.448 -4.690 0.018 303 HG LEU 42 HG LEU 42 11.692 -6.695 1.412 304 1HD1 LEU 42 HD11 LEU 42 8.823 -6.396 0.500 305 2HD1 LEU 42 HD12 LEU 42 9.415 -7.024 2.042 306 3HD1 LEU 42 HD13 LEU 42 9.674 -5.325 1.640 307 1HD2 LEU 42 HD21 LEU 42 10.138 -8.182 -0.731 308 2HD2 LEU 42 HD22 LEU 42 11.869 -8.393 -0.382 309 3HD2 LEU 42 HD23 LEU 42 10.655 -8.807 0.844 310 H ASP 43 H ASP 43 10.152 -3.153 -1.574 311 HA ASP 43 HA ASP 43 7.429 -3.327 -0.905 312 1HB ASP 43 HB2 ASP 43 8.871 -1.254 -0.769 313 2HB ASP 43 HB3 ASP 43 8.752 -1.115 -2.533 314 H GLN 44 H GLN 44 9.011 -3.027 -4.079 315 HA GLN 44 HA GLN 44 6.563 -2.904 -5.555 316 1HB GLN 44 HB2 GLN 44 9.437 -3.456 -6.352 317 2HB GLN 44 HB3 GLN 44 8.120 -3.318 -7.526 318 1HG GLN 44 HG2 GLN 44 7.635 -1.048 -6.891 319 2HG GLN 44 HG3 GLN 44 8.683 -1.122 -5.476 320 1HE2 GLN 44 HE22 GLN 44 10.975 -1.193 -5.770 321 2HE2 GLN 44 HE21 GLN 44 11.735 -0.606 -7.250 322 H GLU 45 H GLU 45 7.981 -5.576 -3.986 323 HA GLU 45 HA GLU 45 6.726 -7.579 -5.781 324 1HB GLU 45 HB2 GLU 45 8.877 -7.671 -3.645 325 2HB GLU 45 HB3 GLU 45 8.135 -9.136 -4.287 326 1HG GLU 45 HG2 GLU 45 9.494 -7.051 -6.036 327 2HG GLU 45 HG3 GLU 45 10.333 -8.443 -5.356 328 H MET 46 H MET 46 6.600 -6.201 -2.529 329 HA MET 46 HA MET 46 4.473 -8.177 -1.811 330 1HB MET 46 HB2 MET 46 6.427 -6.797 0.055 331 2HB MET 46 HB3 MET 46 5.268 -8.069 0.440 332 1HG MET 46 HG2 MET 46 6.599 -9.409 -1.453 333 2HG MET 46 HG3 MET 46 7.866 -8.246 -1.081 334 1HE MET 46 HE1 MET 46 6.108 -11.425 -0.326 335 2HE MET 46 HE2 MET 46 6.331 -11.765 1.408 336 3HE MET 46 HE3 MET 46 5.187 -10.496 0.878 337 H GLY 47 H GLY 47 4.789 -4.877 -2.486 338 1HA GLY 47 HA2 GLY 47 3.464 -3.586 -0.436 339 2HA GLY 47 HA3 GLY 47 3.441 -3.097 -2.134 340 H ASP 48 H ASP 48 1.967 -5.997 -2.283 341 HA ASP 48 HA ASP 48 -0.743 -4.933 -2.231 342 1HB ASP 48 HB2 ASP 48 -0.059 -6.543 -3.962 343 2HB ASP 48 HB3 ASP 48 0.303 -7.744 -2.717 344 H LYS 49 H LYS 49 1.405 -6.778 -0.146 345 HA LYS 49 HA LYS 49 -0.779 -7.286 1.838 346 1HB LYS 49 HB2 LYS 49 1.812 -8.835 1.328 347 2HB LYS 49 HB3 LYS 49 0.611 -9.207 2.558 348 1HG LYS 49 HG2 LYS 49 0.210 -9.382 -0.450 349 2HG LYS 49 HG3 LYS 49 0.434 -10.728 0.679 350 1HD LYS 49 HD2 LYS 49 -1.683 -9.898 1.886 351 2HD LYS 49 HD3 LYS 49 -1.962 -8.856 0.488 352 1HE LYS 49 HE2 LYS 49 -1.819 -11.901 0.527 353 2HE LYS 49 HE3 LYS 49 -3.258 -10.903 0.308 354 1HZ LYS 49 HZ1 LYS 49 -2.165 -10.044 -1.763 355 2HZ LYS 49 HZ2 LYS 49 -1.021 -11.205 -1.596 356 3HZ LYS 49 HZ3 LYS 49 -2.578 -11.635 -1.815 357 H LEU 50 H LEU 50 2.352 -5.804 1.284 358 HA LEU 50 HA LEU 50 2.841 -5.599 4.198 359 1HB LEU 50 HB2 LEU 50 4.385 -6.944 2.751 360 2HB LEU 50 HB3 LEU 50 4.684 -5.502 1.779 361 HG LEU 50 HG LEU 50 5.724 -4.389 3.754 362 1HD1 LEU 50 HD11 LEU 50 5.338 -7.119 5.062 363 2HD1 LEU 50 HD12 LEU 50 6.341 -5.802 5.707 364 3HD1 LEU 50 HD13 LEU 50 4.600 -5.594 5.588 365 1HD2 LEU 50 HD21 LEU 50 7.087 -5.484 2.120 366 2HD2 LEU 50 HD22 LEU 50 7.774 -5.765 3.727 367 3HD2 LEU 50 HD23 LEU 50 6.866 -7.060 2.903 368 H LYS 51 H LYS 51 3.697 -3.703 5.051 369 HA LYS 51 HA LYS 51 3.803 -1.247 3.365 370 1HB LYS 51 HB2 LYS 51 1.874 -1.172 5.026 371 2HB LYS 51 HB3 LYS 51 3.028 -1.468 6.315 372 1HG LYS 51 HG2 LYS 51 4.246 0.663 5.602 373 2HG LYS 51 HG3 LYS 51 2.908 0.983 4.503 374 1HD LYS 51 HD2 LYS 51 2.683 0.629 7.528 375 2HD LYS 51 HD3 LYS 51 2.809 2.184 6.702 376 1HE LYS 51 HE2 LYS 51 0.699 1.737 5.484 377 2HE LYS 51 HE3 LYS 51 0.549 0.171 6.307 378 1HZ LYS 51 HZ1 LYS 51 -0.749 1.897 7.417 379 2HZ LYS 51 HZ2 LYS 51 0.458 1.361 8.405 380 3HZ LYS 51 HZ3 LYS 51 0.598 2.816 7.647 381 H ILE 52 H ILE 52 5.765 -0.072 3.786 382 HA ILE 52 HA ILE 52 7.665 -1.387 5.666 383 HB ILE 52 HB ILE 52 8.287 0.043 3.072 384 1HG1 ILE 52 HG12 ILE 52 8.563 -2.892 3.863 385 2HG1 ILE 52 HG13 ILE 52 7.446 -2.215 2.676 386 1HG2 ILE 52 HG21 ILE 52 9.995 0.539 4.807 387 2HG2 ILE 52 HG22 ILE 52 10.222 -1.205 5.074 388 3HG2 ILE 52 HG23 ILE 52 10.660 -0.452 3.526 389 1HD1 ILE 52 HD11 ILE 52 9.145 -3.129 1.367 390 2HD1 ILE 52 HD12 ILE 52 9.528 -1.401 1.396 391 3HD1 ILE 52 HD13 ILE 52 10.438 -2.531 2.422 392 H VAL 53 H VAL 53 8.591 0.072 7.180 393 HA VAL 53 HA VAL 53 7.579 2.894 7.027 394 HB VAL 53 HB VAL 53 7.333 0.981 9.382 395 1HG1 VAL 53 HG11 VAL 53 6.235 2.896 10.548 396 2HG1 VAL 53 HG12 VAL 53 7.938 3.223 10.231 397 3HG1 VAL 53 HG13 VAL 53 6.694 3.964 9.200 398 1HG2 VAL 53 HG21 VAL 53 5.235 2.472 7.746 399 2HG2 VAL 53 HG22 VAL 53 5.552 0.730 7.688 400 3HG2 VAL 53 HG23 VAL 53 4.922 1.459 9.168 401 H LYS 54 H LYS 54 9.484 3.963 6.637 402 HA LYS 54 HA LYS 54 11.946 3.157 8.038 403 1HB LYS 54 HB2 LYS 54 11.375 5.647 6.368 404 2HB LYS 54 HB3 LYS 54 12.953 5.127 6.981 405 1HG LYS 54 HG2 LYS 54 12.678 2.973 5.675 406 2HG LYS 54 HG3 LYS 54 11.207 3.639 4.965 407 1HD LYS 54 HD2 LYS 54 13.066 3.878 3.436 408 2HD LYS 54 HD3 LYS 54 12.508 5.479 3.948 409 1HE LYS 54 HE2 LYS 54 14.369 5.699 5.507 410 2HE LYS 54 HE3 LYS 54 14.842 4.012 5.255 411 1HZ LYS 54 HZ1 LYS 54 16.259 5.503 4.008 412 2HZ LYS 54 HZ2 LYS 54 15.416 4.575 2.967 413 3HZ LYS 54 HZ3 LYS 54 14.996 6.139 3.191 414 H ILE 55 H ILE 55 12.767 4.134 9.914 415 HA ILE 55 HA ILE 55 11.424 6.561 10.908 416 HB ILE 55 HB ILE 55 10.130 4.900 11.961 417 1HG1 ILE 55 HG12 ILE 55 12.114 5.821 14.074 418 2HG1 ILE 55 HG13 ILE 55 10.998 6.919 13.262 419 1HG2 ILE 55 HG21 ILE 55 12.641 3.578 13.060 420 2HG2 ILE 55 HG22 ILE 55 10.970 3.116 13.411 421 3HG2 ILE 55 HG23 ILE 55 11.602 2.913 11.780 422 1HD1 ILE 55 HD11 ILE 55 10.180 4.523 14.951 423 2HD1 ILE 55 HD12 ILE 55 10.061 6.232 15.399 424 3HD1 ILE 55 HD13 ILE 55 9.068 5.602 14.075 425 H ASP 56 H ASP 56 12.803 7.990 11.578 426 HA ASP 56 HA ASP 56 15.646 7.464 11.239 427 1HB ASP 56 HB2 ASP 56 14.654 9.433 10.235 428 2HB ASP 56 HB3 ASP 56 14.104 10.007 11.810 429 H VAL 57 H VAL 57 16.574 6.459 13.005 430 HA VAL 57 HA VAL 57 15.528 6.638 15.628 431 HB VAL 57 HB VAL 57 17.499 5.449 16.361 432 1HG1 VAL 57 HG11 VAL 57 17.226 3.457 15.044 433 2HG1 VAL 57 HG12 VAL 57 15.662 4.298 15.113 434 3HG1 VAL 57 HG13 VAL 57 16.643 4.378 13.640 435 1HG2 VAL 57 HG21 VAL 57 19.292 6.581 15.085 436 2HG2 VAL 57 HG22 VAL 57 19.343 4.829 14.870 437 3HG2 VAL 57 HG23 VAL 57 18.686 5.855 13.583 438 H ASP 58 H ASP 58 17.664 8.884 13.959 439 HA ASP 58 HA ASP 58 19.035 9.870 16.286 440 1HB ASP 58 HB2 ASP 58 19.817 10.201 13.952 441 2HB ASP 58 HB3 ASP 58 18.442 11.274 13.659 442 H GLU 59 H GLU 59 15.796 10.310 15.137 443 HA GLU 59 HA GLU 59 15.334 12.505 17.123 444 1HB GLU 59 HB2 GLU 59 13.921 11.927 14.490 445 2HB GLU 59 HB3 GLU 59 13.421 13.148 15.670 446 1HG GLU 59 HG2 GLU 59 15.725 14.202 15.422 447 2HG GLU 59 HG3 GLU 59 15.986 13.138 14.038 448 H ASN 60 H ASN 60 15.087 9.272 16.874 449 HA ASN 60 HA ASN 60 12.467 9.083 18.279 450 1HB ASN 60 HB2 ASN 60 13.220 7.466 15.812 451 2HB ASN 60 HB3 ASN 60 11.852 7.137 16.867 452 1HD2 ASN 60 HD22 ASN 60 12.985 9.149 14.265 453 2HD2 ASN 60 HD21 ASN 60 11.513 10.087 14.080 454 H GLN 61 H GLN 61 14.991 9.101 19.406 455 HA GLN 61 HA GLN 61 16.222 6.610 19.839 456 1HB GLN 61 HB2 GLN 61 15.893 9.047 21.637 457 2HB GLN 61 HB3 GLN 61 16.908 7.670 22.061 458 1HG GLN 61 HG2 GLN 61 17.289 9.314 19.522 459 2HG GLN 61 HG3 GLN 61 18.136 9.616 21.035 460 1HE2 GLN 61 HE22 GLN 61 18.029 7.643 18.179 461 2HE2 GLN 61 HE21 GLN 61 19.399 6.608 18.573 462 H GLU 62 H GLU 62 13.238 7.967 21.275 463 HA GLU 62 HA GLU 62 13.024 6.084 23.391 464 1HB GLU 62 HB2 GLU 62 10.898 7.690 21.904 465 2HB GLU 62 HB3 GLU 62 10.595 6.739 23.367 466 1HG GLU 62 HG2 GLU 62 12.294 8.091 24.592 467 2HG GLU 62 HG3 GLU 62 12.541 9.079 23.151 468 H THR 63 H THR 63 11.659 6.016 20.009 469 HA THR 63 HA THR 63 10.334 3.535 20.389 470 HB THR 63 HB THR 63 11.345 4.370 17.724 471 HG1 THR 63 HG1 THR 63 9.428 5.860 19.191 472 1HG2 THR 63 HG21 THR 63 8.554 3.595 18.647 473 2HG2 THR 63 HG22 THR 63 9.063 3.893 16.965 474 3HG2 THR 63 HG23 THR 63 9.736 2.528 17.859 475 H ALA 64 H ALA 64 13.586 4.421 19.117 476 HA ALA 64 HA ALA 64 14.445 1.791 18.456 477 1HB ALA 64 HB1 ALA 64 16.746 2.768 18.749 478 2HB ALA 64 HB2 ALA 64 15.688 3.831 17.803 479 3HB ALA 64 HB3 ALA 64 16.034 4.193 19.508 480 H GLY 65 H GLY 65 14.722 3.599 21.561 481 1HA GLY 65 HA2 GLY 65 15.936 1.564 23.091 482 2HA GLY 65 HA3 GLY 65 14.926 2.888 23.704 483 H LYS 66 H LYS 66 12.543 2.008 22.128 484 HA LYS 66 HA LYS 66 11.225 0.434 24.005 485 1HB LYS 66 HB2 LYS 66 10.314 1.937 22.111 486 2HB LYS 66 HB3 LYS 66 10.484 0.529 21.065 487 1HG LYS 66 HG2 LYS 66 8.920 -0.759 22.361 488 2HG LYS 66 HG3 LYS 66 8.920 0.440 23.674 489 1HD LYS 66 HD2 LYS 66 7.850 2.098 22.246 490 2HD LYS 66 HD3 LYS 66 7.999 1.043 20.841 491 1HE LYS 66 HE2 LYS 66 5.723 0.934 21.580 492 2HE LYS 66 HE3 LYS 66 6.487 -0.620 21.913 493 1HZ LYS 66 HZ1 LYS 66 5.136 0.153 23.766 494 2HZ LYS 66 HZ2 LYS 66 6.689 0.057 24.241 495 3HZ LYS 66 HZ3 LYS 66 6.012 1.514 23.921 496 H TYR 67 H TYR 67 13.162 -0.605 21.209 497 HA TYR 67 HA TYR 67 12.700 -3.446 22.036 498 1HB TYR 67 HB2 TYR 67 13.594 -2.733 19.277 499 2HB TYR 67 HB3 TYR 67 12.683 -4.127 19.828 500 HD1 TYR 67 HD1 TYR 67 10.188 -3.698 20.553 501 HD2 TYR 67 HD2 TYR 67 12.572 -0.821 18.395 502 HE1 TYR 67 HE1 TYR 67 8.133 -2.450 19.934 503 HE2 TYR 67 HE2 TYR 67 10.577 0.444 17.833 504 HH TYR 67 HH TYR 67 8.214 0.544 17.960 505 H GLY 68 H GLY 68 14.893 -1.213 22.653 506 1HA GLY 68 HA2 GLY 68 17.123 -1.187 23.091 507 2HA GLY 68 HA3 GLY 68 17.105 -2.955 22.988 508 H VAL 69 H VAL 69 16.241 -0.744 20.296 509 HA VAL 69 HA VAL 69 18.222 -1.904 18.511 510 HB VAL 69 HB VAL 69 16.524 0.614 18.231 511 1HG1 VAL 69 HG11 VAL 69 18.401 0.678 16.679 512 2HG1 VAL 69 HG12 VAL 69 18.075 -0.986 16.162 513 3HG1 VAL 69 HG13 VAL 69 16.922 0.313 15.789 514 1HG2 VAL 69 HG21 VAL 69 15.965 -2.223 17.291 515 2HG2 VAL 69 HG22 VAL 69 15.035 -1.265 18.464 516 3HG2 VAL 69 HG23 VAL 69 15.056 -0.783 16.774 517 H MET 70 H MET 70 20.335 -1.395 18.604 518 HA MET 70 HA MET 70 21.222 1.284 19.584 519 1HB MET 70 HB2 MET 70 22.309 -1.479 20.257 520 2HB MET 70 HB3 MET 70 23.172 0.012 20.611 521 1HG MET 70 HG2 MET 70 20.445 -0.738 21.713 522 2HG MET 70 HG3 MET 70 21.969 -0.870 22.573 523 1HE MET 70 HE1 MET 70 23.517 1.884 21.933 524 2HE MET 70 HE2 MET 70 22.949 2.831 23.321 525 3HE MET 70 HE3 MET 70 23.359 1.116 23.531 526 H SER 71 H SER 71 21.010 -0.537 16.886 527 HA SER 71 HA SER 71 23.362 0.601 15.624 528 1HB SER 71 HB2 SER 71 22.678 -2.375 15.449 529 2HB SER 71 HB3 SER 71 23.984 -1.548 14.587 530 HG SER 71 HG SER 71 24.723 -2.667 16.447 531 H ILE 72 H ILE 72 23.051 0.452 13.202 532 HA ILE 72 HA ILE 72 20.369 -0.220 12.292 533 HB ILE 72 HB ILE 72 20.157 1.921 11.059 534 1HG1 ILE 72 HG12 ILE 72 22.299 3.015 12.941 535 2HG1 ILE 72 HG13 ILE 72 22.556 2.664 11.232 536 1HG2 ILE 72 HG21 ILE 72 18.947 1.401 13.212 537 2HG2 ILE 72 HG22 ILE 72 20.160 2.371 14.066 538 3HG2 ILE 72 HG23 ILE 72 19.103 3.119 12.853 539 1HD1 ILE 72 HD11 ILE 72 20.627 4.743 12.348 540 2HD1 ILE 72 HD12 ILE 72 22.148 5.038 11.495 541 3HD1 ILE 72 HD13 ILE 72 20.786 4.298 10.635 542 HA PRO 73 HA PRO 73 19.433 0.221 9.892 543 1HB PRO 73 HB2 PRO 73 18.924 -1.726 8.047 544 2HB PRO 73 HB3 PRO 73 19.625 -0.141 7.621 545 1HG PRO 73 HG2 PRO 73 21.071 -2.767 8.075 546 2HG PRO 73 HG3 PRO 73 21.298 -1.603 6.734 547 1HD PRO 73 HD2 PRO 73 22.937 -1.643 8.922 548 2HD PRO 73 HD3 PRO 73 22.496 -0.114 8.110 549 H THR 74 H THR 74 17.814 -0.741 11.033 550 HA THR 74 HA THR 74 18.089 -3.610 11.787 551 HB THR 74 HB THR 74 17.529 -1.274 13.654 552 HG1 THR 74 HG1 THR 74 19.513 -1.623 14.173 553 1HG2 THR 74 HG21 THR 74 17.167 -4.269 14.109 554 2HG2 THR 74 HG22 THR 74 17.328 -3.089 15.423 555 3HG2 THR 74 HG23 THR 74 15.962 -2.984 14.307 556 H LEU 75 H LEU 75 16.121 -4.702 11.893 557 HA LEU 75 HA LEU 75 13.895 -3.314 10.489 558 1HB LEU 75 HB2 LEU 75 15.096 -6.074 10.125 559 2HB LEU 75 HB3 LEU 75 13.539 -5.615 9.457 560 HG LEU 75 HG LEU 75 16.160 -4.211 8.766 561 1HD1 LEU 75 HD11 LEU 75 14.649 -6.377 7.243 562 2HD1 LEU 75 HD12 LEU 75 16.055 -5.468 6.640 563 3HD1 LEU 75 HD13 LEU 75 16.235 -6.549 8.029 564 1HD2 LEU 75 HD21 LEU 75 13.417 -4.120 7.421 565 2HD2 LEU 75 HD22 LEU 75 14.167 -2.812 8.352 566 3HD2 LEU 75 HD23 LEU 75 14.897 -3.328 6.829 567 H LEU 76 H LEU 76 11.935 -3.557 11.473 568 HA LEU 76 HA LEU 76 11.658 -5.579 13.693 569 1HB LEU 76 HB2 LEU 76 10.902 -2.629 13.635 570 2HB LEU 76 HB3 LEU 76 9.949 -3.773 14.546 571 HG LEU 76 HG LEU 76 11.546 -2.471 15.923 572 1HD1 LEU 76 HD11 LEU 76 12.006 -5.489 15.901 573 2HD1 LEU 76 HD12 LEU 76 12.372 -4.387 17.242 574 3HD1 LEU 76 HD13 LEU 76 10.698 -4.617 16.724 575 1HD2 LEU 76 HD21 LEU 76 13.891 -2.843 15.888 576 2HD2 LEU 76 HD22 LEU 76 13.758 -4.126 14.676 577 3HD2 LEU 76 HD23 LEU 76 13.412 -2.449 14.223 578 H VAL 77 H VAL 77 9.999 -6.914 13.168 579 HA VAL 77 HA VAL 77 8.268 -6.049 10.910 580 HB VAL 77 HB VAL 77 8.476 -8.903 11.762 581 1HG1 VAL 77 HG11 VAL 77 8.189 -9.208 9.280 582 2HG1 VAL 77 HG12 VAL 77 6.917 -8.192 9.985 583 3HG1 VAL 77 HG13 VAL 77 8.249 -7.445 9.074 584 1HG2 VAL 77 HG21 VAL 77 10.853 -8.491 11.658 585 2HG2 VAL 77 HG22 VAL 77 10.378 -9.290 10.164 586 3HG2 VAL 77 HG23 VAL 77 10.691 -7.540 10.175 587 H LEU 78 H LEU 78 6.185 -5.736 11.445 588 HA LEU 78 HA LEU 78 5.288 -6.541 14.156 589 1HB LEU 78 HB2 LEU 78 4.715 -3.904 12.722 590 2HB LEU 78 HB3 LEU 78 3.984 -4.450 14.222 591 HG LEU 78 HG LEU 78 6.611 -4.674 14.919 592 1HD1 LEU 78 HD11 LEU 78 6.546 -2.278 13.054 593 2HD1 LEU 78 HD12 LEU 78 7.864 -2.729 14.150 594 3HD1 LEU 78 HD13 LEU 78 7.446 -3.769 12.784 595 1HD2 LEU 78 HD21 LEU 78 5.037 -2.084 15.122 596 2HD2 LEU 78 HD22 LEU 78 4.849 -3.486 16.190 597 3HD2 LEU 78 HD23 LEU 78 6.380 -2.610 16.156 598 H LYS 79 H LYS 79 3.055 -6.964 14.306 599 HA LYS 79 HA LYS 79 1.586 -7.246 11.729 600 1HB LYS 79 HB2 LYS 79 2.663 -9.425 12.349 601 2HB LYS 79 HB3 LYS 79 1.753 -9.413 13.869 602 1HG LYS 79 HG2 LYS 79 -0.368 -9.326 12.459 603 2HG LYS 79 HG3 LYS 79 0.664 -9.434 11.023 604 1HD LYS 79 HD2 LYS 79 -0.232 -11.610 11.470 605 2HD LYS 79 HD3 LYS 79 1.502 -11.651 11.819 606 1HE LYS 79 HE2 LYS 79 1.041 -11.435 14.239 607 2HE LYS 79 HE3 LYS 79 -0.688 -11.265 13.913 608 1HZ LYS 79 HZ1 LYS 79 -0.135 -13.514 14.581 609 2HZ LYS 79 HZ2 LYS 79 -0.690 -13.530 13.053 610 3HZ LYS 79 HZ3 LYS 79 0.910 -13.699 13.346 611 H ASP 80 H ASP 80 -0.097 -5.959 11.986 612 HA ASP 80 HA ASP 80 -1.821 -4.819 12.854 613 1HB ASP 80 HB2 ASP 80 -2.738 -7.096 12.696 614 2HB ASP 80 HB3 ASP 80 -2.297 -7.399 14.378 615 H GLY 81 H GLY 81 0.558 -4.140 14.080 616 1HA GLY 81 HA2 GLY 81 0.767 -2.346 15.516 617 2HA GLY 81 HA3 GLY 81 -0.554 -2.931 16.518 618 H GLU 82 H GLU 82 1.445 -5.648 16.225 619 HA GLU 82 HA GLU 82 3.168 -4.781 18.499 620 1HB GLU 82 HB2 GLU 82 2.734 -6.777 19.632 621 2HB GLU 82 HB3 GLU 82 1.162 -6.161 19.105 622 1HG GLU 82 HG2 GLU 82 1.151 -7.808 17.243 623 2HG GLU 82 HG3 GLU 82 2.701 -8.448 17.786 624 H VAL 83 H VAL 83 5.268 -5.712 18.591 625 HA VAL 83 HA VAL 83 6.483 -6.403 16.062 626 HB VAL 83 HB VAL 83 7.542 -6.722 18.897 627 1HG1 VAL 83 HG11 VAL 83 8.818 -8.103 17.289 628 2HG1 VAL 83 HG12 VAL 83 8.992 -6.709 16.201 629 3HG1 VAL 83 HG13 VAL 83 9.777 -6.715 17.796 630 1HG2 VAL 83 HG21 VAL 83 7.964 -4.470 16.876 631 2HG2 VAL 83 HG22 VAL 83 7.031 -4.346 18.386 632 3HG2 VAL 83 HG23 VAL 83 8.771 -4.634 18.442 633 H VAL 84 H VAL 84 6.629 -8.228 15.101 634 HA VAL 84 HA VAL 84 5.967 -10.731 16.542 635 HB VAL 84 HB VAL 84 4.256 -9.819 14.960 636 1HG1 VAL 84 HG11 VAL 84 5.466 -8.866 13.175 637 2HG1 VAL 84 HG12 VAL 84 6.381 -10.347 12.862 638 3HG1 VAL 84 HG13 VAL 84 4.654 -10.271 12.495 639 1HG2 VAL 84 HG21 VAL 84 4.209 -12.120 15.614 640 2HG2 VAL 84 HG22 VAL 84 3.732 -11.955 13.918 641 3HG2 VAL 84 HG23 VAL 84 5.357 -12.563 14.334 642 H GLU 85 H GLU 85 8.438 -9.011 14.589 643 HA GLU 85 HA GLU 85 10.260 -11.143 15.331 644 1HB GLU 85 HB2 GLU 85 9.287 -12.128 13.296 645 2HB GLU 85 HB3 GLU 85 9.643 -10.670 12.386 646 1HG GLU 85 HG2 GLU 85 11.116 -12.470 11.814 647 2HG GLU 85 HG3 GLU 85 12.036 -11.150 12.507 648 H THR 86 H THR 86 12.555 -10.548 14.600 649 HA THR 86 HA THR 86 12.958 -7.670 14.011 650 HB THR 86 HB THR 86 14.415 -9.185 16.216 651 HG1 THR 86 HG1 THR 86 12.257 -8.799 16.791 652 1HG2 THR 86 HG21 THR 86 15.115 -6.884 16.940 653 2HG2 THR 86 HG22 THR 86 15.768 -7.345 15.366 654 3HG2 THR 86 HG23 THR 86 14.387 -6.233 15.455 655 H SER 87 H SER 87 14.983 -7.293 12.913 656 HA SER 87 HA SER 87 16.920 -9.453 12.570 657 1HB SER 87 HB2 SER 87 15.392 -8.223 10.233 658 2HB SER 87 HB3 SER 87 16.960 -9.028 10.052 659 HG SER 87 HG SER 87 14.955 -10.359 11.472 660 H VAL 88 H VAL 88 19.002 -8.524 11.750 661 HA VAL 88 HA VAL 88 19.191 -5.563 11.962 662 HB VAL 88 HB VAL 88 21.015 -7.548 13.363 663 1HG1 VAL 88 HG11 VAL 88 20.916 -4.500 13.450 664 2HG1 VAL 88 HG12 VAL 88 21.931 -5.517 14.493 665 3HG1 VAL 88 HG13 VAL 88 22.211 -5.498 12.754 666 1HG2 VAL 88 HG21 VAL 88 18.883 -7.509 14.573 667 2HG2 VAL 88 HG22 VAL 88 20.111 -6.649 15.496 668 3HG2 VAL 88 HG23 VAL 88 18.898 -5.731 14.582 669 H GLY 89 H GLY 89 20.777 -4.675 10.599 670 1HA GLY 89 HA2 GLY 89 22.550 -4.611 9.135 671 2HA GLY 89 HA3 GLY 89 22.784 -6.352 9.309 672 H PHE 90 H PHE 90 23.170 -5.852 6.903 673 HA PHE 90 HA PHE 90 21.010 -5.328 5.124 674 1HB PHE 90 HB2 PHE 90 23.398 -5.081 4.549 675 2HB PHE 90 HB3 PHE 90 23.631 -6.819 4.698 676 HD1 PHE 90 HD1 PHE 90 22.244 -4.107 2.610 677 HD2 PHE 90 HD2 PHE 90 22.776 -8.374 2.970 678 HE1 PHE 90 HE1 PHE 90 21.610 -4.394 0.225 679 HE2 PHE 90 HE2 PHE 90 22.128 -8.653 0.592 680 HZ PHE 90 HZ PHE 90 21.542 -6.666 -0.783 681 H LYS 91 H LYS 91 19.693 -6.736 3.926 682 HA LYS 91 HA LYS 91 20.007 -9.630 4.120 683 1HB LYS 91 HB2 LYS 91 17.599 -8.166 5.195 684 2HB LYS 91 HB3 LYS 91 17.351 -9.648 4.261 685 1HG LYS 91 HG2 LYS 91 19.003 -10.820 5.743 686 2HG LYS 91 HG3 LYS 91 19.039 -9.371 6.776 687 1HD LYS 91 HD2 LYS 91 16.644 -9.623 7.240 688 2HD LYS 91 HD3 LYS 91 16.561 -11.001 6.110 689 1HE LYS 91 HE2 LYS 91 18.230 -12.229 7.494 690 2HE LYS 91 HE3 LYS 91 18.282 -10.885 8.637 691 1HZ LYS 91 HZ1 LYS 91 15.861 -12.505 8.068 692 2HZ LYS 91 HZ2 LYS 91 16.839 -12.702 9.356 693 3HZ LYS 91 HZ3 LYS 91 15.991 -11.324 9.220 694 HA PRO 92 HA PRO 92 19.023 -8.578 -0.168 695 1HB PRO 92 HB2 PRO 92 18.846 -11.089 -1.257 696 2HB PRO 92 HB3 PRO 92 20.402 -10.334 -0.799 697 1HG PRO 92 HG2 PRO 92 18.744 -12.300 0.807 698 2HG PRO 92 HG3 PRO 92 20.504 -12.353 0.470 699 1HD PRO 92 HD2 PRO 92 19.504 -11.346 2.800 700 2HD PRO 92 HD3 PRO 92 20.946 -10.633 2.022 701 H LYS 93 H LYS 93 17.149 -8.833 -1.625 702 HA LYS 93 HA LYS 93 14.713 -8.632 -0.251 703 1HB LYS 93 HB2 LYS 93 13.643 -8.653 -2.486 704 2HB LYS 93 HB3 LYS 93 14.978 -7.521 -2.328 705 1HG LYS 93 HG2 LYS 93 16.456 -9.275 -3.493 706 2HG LYS 93 HG3 LYS 93 14.963 -10.181 -3.811 707 1HD LYS 93 HD2 LYS 93 14.045 -8.163 -4.979 708 2HD LYS 93 HD3 LYS 93 15.588 -7.318 -4.667 709 1HE LYS 93 HE2 LYS 93 16.813 -8.960 -5.998 710 2HE LYS 93 HE3 LYS 93 15.374 -9.973 -6.175 711 1HZ LYS 93 HZ1 LYS 93 15.835 -8.611 -8.142 712 2HZ LYS 93 HZ2 LYS 93 14.371 -8.258 -7.518 713 3HZ LYS 93 HZ3 LYS 93 15.628 -7.230 -7.281 714 H GLU 94 H GLU 94 16.140 -11.527 -1.662 715 HA GLU 94 HA GLU 94 13.804 -13.164 -1.496 716 1HB GLU 94 HB2 GLU 94 16.761 -13.881 -1.307 717 2HB GLU 94 HB3 GLU 94 15.444 -15.059 -1.425 718 1HG GLU 94 HG2 GLU 94 14.740 -14.041 -3.591 719 2HG GLU 94 HG3 GLU 94 16.103 -12.924 -3.502 720 H ALA 95 H ALA 95 16.454 -12.512 0.880 721 HA ALA 95 HA ALA 95 15.366 -14.186 2.925 722 1HB ALA 95 HB1 ALA 95 17.231 -11.785 3.161 723 2HB ALA 95 HB2 ALA 95 16.932 -13.001 4.414 724 3HB ALA 95 HB3 ALA 95 17.737 -13.474 2.907 725 H LEU 96 H LEU 96 14.975 -10.737 2.085 726 HA LEU 96 HA LEU 96 13.353 -10.067 4.327 727 1HB LEU 96 HB2 LEU 96 13.389 -8.896 1.539 728 2HB LEU 96 HB3 LEU 96 12.518 -8.205 2.905 729 HG LEU 96 HG LEU 96 15.547 -8.491 2.733 730 1HD1 LEU 96 HD11 LEU 96 14.579 -6.753 1.238 731 2HD1 LEU 96 HD12 LEU 96 13.788 -6.010 2.643 732 3HD1 LEU 96 HD13 LEU 96 15.562 -6.063 2.535 733 1HD2 LEU 96 HD21 LEU 96 15.537 -7.056 4.782 734 2HD2 LEU 96 HD22 LEU 96 13.782 -7.290 4.906 735 3HD2 LEU 96 HD23 LEU 96 14.896 -8.671 5.066 736 H GLN 97 H GLN 97 12.430 -11.296 1.073 737 HA GLN 97 HA GLN 97 9.634 -11.226 1.569 738 1HB GLN 97 HB2 GLN 97 11.445 -12.884 -0.231 739 2HB GLN 97 HB3 GLN 97 9.770 -13.393 -0.043 740 1HG GLN 97 HG2 GLN 97 8.893 -11.466 -1.020 741 2HG GLN 97 HG3 GLN 97 10.387 -10.548 -0.786 742 1HE2 GLN 97 HE22 GLN 97 12.222 -11.001 -2.105 743 2HE2 GLN 97 HE21 GLN 97 12.014 -11.691 -3.714 744 H GLU 98 H GLU 98 12.095 -13.690 2.347 745 HA GLU 98 HA GLU 98 10.191 -15.570 3.363 746 1HB GLU 98 HB2 GLU 98 13.179 -15.228 3.818 747 2HB GLU 98 HB3 GLU 98 12.262 -16.524 4.581 748 1HG GLU 98 HG2 GLU 98 12.375 -16.092 1.564 749 2HG GLU 98 HG3 GLU 98 13.448 -17.163 2.455 750 H LEU 99 H LEU 99 12.005 -12.924 4.920 751 HA LEU 99 HA LEU 99 11.255 -13.396 7.588 752 1HB LEU 99 HB2 LEU 99 13.085 -11.935 6.842 753 2HB LEU 99 HB3 LEU 99 11.949 -10.885 6.007 754 HG LEU 99 HG LEU 99 10.903 -10.269 8.128 755 1HD1 LEU 99 HD11 LEU 99 12.219 -10.791 10.237 756 2HD1 LEU 99 HD12 LEU 99 11.406 -12.196 9.522 757 3HD1 LEU 99 HD13 LEU 99 13.156 -11.968 9.302 758 1HD2 LEU 99 HD21 LEU 99 13.914 -9.819 7.962 759 2HD2 LEU 99 HD22 LEU 99 12.662 -8.883 7.119 760 3HD2 LEU 99 HD23 LEU 99 12.772 -8.820 8.887 761 H VAL 100 H VAL 100 9.699 -11.336 5.034 762 HA VAL 100 HA VAL 100 7.429 -10.578 6.551 763 HB VAL 100 HB VAL 100 7.818 -11.008 3.563 764 1HG1 VAL 100 HG11 VAL 100 5.617 -9.495 5.019 765 2HG1 VAL 100 HG12 VAL 100 5.950 -9.357 3.278 766 3HG1 VAL 100 HG13 VAL 100 5.438 -10.903 3.955 767 1HG2 VAL 100 HG21 VAL 100 7.816 -8.285 4.870 768 2HG2 VAL 100 HG22 VAL 100 9.299 -9.232 4.843 769 3HG2 VAL 100 HG23 VAL 100 8.524 -8.847 3.319 770 H ASN 101 H ASN 101 8.065 -13.402 4.488 771 HA ASN 101 HA ASN 101 5.465 -14.408 4.307 772 1HB ASN 101 HB2 ASN 101 7.428 -15.038 2.893 773 2HB ASN 101 HB3 ASN 101 8.041 -16.021 4.231 774 1HD2 ASN 101 HD22 ASN 101 5.753 -15.780 1.615 775 2HD2 ASN 101 HD21 ASN 101 5.049 -17.367 1.792 776 H LYS 102 H LYS 102 7.763 -14.741 6.964 777 HA LYS 102 HA LYS 102 6.614 -16.907 8.382 778 1HB LYS 102 HB2 LYS 102 7.727 -14.299 9.495 779 2HB LYS 102 HB3 LYS 102 7.399 -15.752 10.430 780 1HG LYS 102 HG2 LYS 102 9.129 -16.938 8.944 781 2HG LYS 102 HG3 LYS 102 9.579 -15.312 8.372 782 1HD LYS 102 HD2 LYS 102 9.925 -14.615 10.768 783 2HD LYS 102 HD3 LYS 102 9.565 -16.281 11.264 784 1HE LYS 102 HE2 LYS 102 11.497 -17.006 9.732 785 2HE LYS 102 HE3 LYS 102 11.915 -15.292 9.603 786 1HZ LYS 102 HZ1 LYS 102 11.869 -16.918 12.078 787 2HZ LYS 102 HZ2 LYS 102 13.182 -16.281 11.360 788 3HZ LYS 102 HZ3 LYS 102 12.093 -15.300 12.100 789 H HIS 103 H HIS 103 5.295 -13.680 7.819 790 HA HIS 103 HA HIS 103 3.279 -14.089 9.979 791 1HB HIS 103 HB2 HIS 103 4.325 -11.487 8.832 792 2HB HIS 103 HB3 HIS 103 3.366 -11.706 10.295 793 HD1 HIS 103 HD1 HIS 103 4.926 -13.656 12.041 794 HD2 HIS 103 HD2 HIS 103 6.807 -11.054 9.322 795 HE1 HIS 103 HE1 HIS 103 7.354 -13.470 12.783 796 H LEU 104 H LEU 104 3.539 -13.891 6.568 797 HA LEU 104 HA LEU 104 1.087 -12.572 5.930 798 1HB LEU 104 HB2 LEU 104 2.564 -14.811 4.485 799 2HB LEU 104 HB3 LEU 104 1.171 -13.957 3.839 800 HG LEU 104 HG LEU 104 3.874 -12.708 4.470 801 1HD1 LEU 104 HD11 LEU 104 3.831 -14.183 2.475 802 2HD1 LEU 104 HD12 LEU 104 2.480 -13.242 1.813 803 3HD1 LEU 104 HD13 LEU 104 4.069 -12.485 2.039 804 1HD2 LEU 104 HD21 LEU 104 2.954 -10.693 3.281 805 2HD2 LEU 104 HD22 LEU 104 1.345 -11.448 3.328 806 3HD2 LEU 104 HD23 LEU 104 2.181 -11.001 4.834 Start of MODEL 3 1 1H MET 1 H1 MET 1 -0.590 -0.192 -1.120 2 2H MET 1 H2 MET 1 -0.088 -1.696 -0.713 3 3H MET 1 H3 MET 1 -1.360 -1.008 0.080 4 HA MET 1 HA MET 1 0.057 0.665 1.027 5 1HB MET 1 HB2 MET 1 0.969 -2.208 1.436 6 2HB MET 1 HB3 MET 1 1.615 -0.864 2.378 7 1HG MET 1 HG2 MET 1 -1.300 -1.704 2.259 8 2HG MET 1 HG3 MET 1 -0.165 -2.017 3.567 9 1HE MET 1 HE1 MET 1 -3.062 -0.689 3.936 10 2HE MET 1 HE2 MET 1 -1.929 -1.114 5.238 11 3HE MET 1 HE3 MET 1 -2.651 0.513 5.179 12 H ALA 2 H ALA 2 2.481 1.127 1.573 13 HA ALA 2 HA ALA 2 4.298 0.804 -0.697 14 1HB ALA 2 HB1 ALA 2 2.831 2.703 -1.373 15 2HB ALA 2 HB2 ALA 2 3.221 3.531 0.154 16 3HB ALA 2 HB3 ALA 2 4.486 3.233 -1.055 17 H ILE 3 H ILE 3 6.314 2.421 -0.053 18 HA ILE 3 HA ILE 3 7.065 1.891 2.722 19 HB ILE 3 HB ILE 3 8.322 3.575 0.525 20 1HG1 ILE 3 HG12 ILE 3 9.716 1.124 1.548 21 2HG1 ILE 3 HG13 ILE 3 8.235 0.797 0.663 22 1HG2 ILE 3 HG21 ILE 3 9.107 4.479 2.646 23 2HG2 ILE 3 HG22 ILE 3 9.450 2.851 3.268 24 3HG2 ILE 3 HG23 ILE 3 10.406 3.527 1.931 25 1HD1 ILE 3 HD11 ILE 3 9.009 2.053 -1.256 26 2HD1 ILE 3 HD12 ILE 3 10.508 2.516 -0.398 27 3HD1 ILE 3 HD13 ILE 3 10.207 0.814 -0.795 28 H VAL 4 H VAL 4 7.086 3.414 4.356 29 HA VAL 4 HA VAL 4 5.862 6.084 3.954 30 HB VAL 4 HB VAL 4 5.142 4.084 6.143 31 1HG1 VAL 4 HG11 VAL 4 3.953 6.806 5.470 32 2HG1 VAL 4 HG12 VAL 4 3.226 5.639 6.591 33 3HG1 VAL 4 HG13 VAL 4 4.787 6.326 6.975 34 1HG2 VAL 4 HG21 VAL 4 2.872 3.976 5.059 35 2HG2 VAL 4 HG22 VAL 4 3.537 4.854 3.667 36 3HG2 VAL 4 HG23 VAL 4 4.144 3.237 4.097 37 H LYS 5 H LYS 5 6.343 7.415 5.966 38 HA LYS 5 HA LYS 5 8.871 6.665 7.331 39 1HB LYS 5 HB2 LYS 5 8.836 8.469 5.278 40 2HB LYS 5 HB3 LYS 5 8.424 9.535 6.612 41 1HG LYS 5 HG2 LYS 5 10.798 7.738 7.028 42 2HG LYS 5 HG3 LYS 5 10.943 8.906 5.727 43 1HD LYS 5 HD2 LYS 5 11.894 9.843 7.724 44 2HD LYS 5 HD3 LYS 5 10.444 10.762 7.288 45 1HE LYS 5 HE2 LYS 5 9.132 9.537 8.958 46 2HE LYS 5 HE3 LYS 5 10.504 8.491 9.326 47 1HZ LYS 5 HZ1 LYS 5 11.658 10.533 10.135 48 2HZ LYS 5 HZ2 LYS 5 10.298 11.402 9.878 49 3HZ LYS 5 HZ3 LYS 5 10.288 10.177 10.971 50 H ALA 6 H ALA 6 8.690 7.044 9.500 51 HA ALA 6 HA ALA 6 6.211 8.377 10.524 52 1HB ALA 6 HB1 ALA 6 5.821 5.939 10.319 53 2HB ALA 6 HB2 ALA 6 7.257 5.627 11.328 54 3HB ALA 6 HB3 ALA 6 5.838 6.451 12.009 55 H THR 7 H THR 7 6.302 8.354 13.023 56 HA THR 7 HA THR 7 8.988 8.593 14.162 57 HB THR 7 HB THR 7 8.245 10.653 15.426 58 HG1 THR 7 HG1 THR 7 6.229 10.639 13.435 59 1HG2 THR 7 HG21 THR 7 8.806 12.283 13.736 60 2HG2 THR 7 HG22 THR 7 9.824 10.849 13.533 61 3HG2 THR 7 HG23 THR 7 8.451 11.130 12.431 62 H ASP 8 H ASP 8 8.582 8.849 16.679 63 HA ASP 8 HA ASP 8 7.025 6.831 17.800 64 1HB ASP 8 HB2 ASP 8 8.707 8.095 19.057 65 2HB ASP 8 HB3 ASP 8 7.744 9.564 18.911 66 H GLN 9 H GLN 9 5.967 10.007 16.704 67 HA GLN 9 HA GLN 9 3.497 10.206 18.069 68 1HB GLN 9 HB2 GLN 9 4.237 11.328 15.342 69 2HB GLN 9 HB3 GLN 9 2.982 11.935 16.413 70 1HG GLN 9 HG2 GLN 9 4.641 12.685 18.046 71 2HG GLN 9 HG3 GLN 9 5.960 11.977 17.104 72 1HE2 GLN 9 HE22 GLN 9 6.119 12.738 14.748 73 2HE2 GLN 9 HE21 GLN 9 5.885 14.460 14.480 74 H SER 10 H SER 10 4.397 8.476 15.107 75 HA SER 10 HA SER 10 1.553 7.825 14.539 76 1HB SER 10 HB2 SER 10 2.412 7.931 12.154 77 2HB SER 10 HB3 SER 10 2.380 9.458 13.060 78 HG SER 10 HG SER 10 4.301 9.303 11.971 79 H PHE 11 H PHE 11 4.708 6.448 15.067 80 HA PHE 11 HA PHE 11 4.845 4.352 13.371 81 1HB PHE 11 HB2 PHE 11 6.545 5.066 15.050 82 2HB PHE 11 HB3 PHE 11 5.613 4.291 16.322 83 HD1 PHE 11 HD1 PHE 11 7.767 3.809 13.366 84 HD2 PHE 11 HD2 PHE 11 5.582 1.806 16.503 85 HE1 PHE 11 HE1 PHE 11 9.026 1.741 12.920 86 HE2 PHE 11 HE2 PHE 11 6.811 -0.289 16.009 87 HZ PHE 11 HZ PHE 11 8.546 -0.331 14.233 88 H SER 12 H SER 12 3.120 4.175 16.559 89 HA SER 12 HA SER 12 2.443 1.468 16.320 90 1HB SER 12 HB2 SER 12 0.861 3.605 17.794 91 2HB SER 12 HB3 SER 12 0.970 1.878 18.187 92 HG SER 12 HG SER 12 2.341 3.207 19.493 93 H ALA 13 H ALA 13 0.725 4.338 15.104 94 HA ALA 13 HA ALA 13 -1.649 2.879 14.362 95 1HB ALA 13 HB1 ALA 13 -1.703 5.325 14.750 96 2HB ALA 13 HB2 ALA 13 -0.595 5.573 13.379 97 3HB ALA 13 HB3 ALA 13 -2.223 4.924 13.102 98 H GLU 14 H GLU 14 1.317 3.958 12.700 99 HA GLU 14 HA GLU 14 0.536 3.050 10.130 100 1HB GLU 14 HB2 GLU 14 3.289 3.539 11.347 101 2HB GLU 14 HB3 GLU 14 3.068 3.058 9.669 102 1HG GLU 14 HG2 GLU 14 2.002 5.597 10.957 103 2HG GLU 14 HG3 GLU 14 3.355 5.470 9.836 104 H THR 15 H THR 15 2.152 1.342 12.815 105 HA THR 15 HA THR 15 2.639 -0.982 11.203 106 HB THR 15 HB THR 15 3.467 -1.901 13.390 107 HG1 THR 15 HG1 THR 15 3.242 0.774 14.261 108 1HG2 THR 15 HG21 THR 15 5.021 -0.916 11.808 109 2HG2 THR 15 HG22 THR 15 4.610 0.729 12.324 110 3HG2 THR 15 HG23 THR 15 5.453 -0.366 13.429 111 H SER 16 H SER 16 -0.266 0.049 12.314 112 HA SER 16 HA SER 16 -1.152 -2.623 13.187 113 1HB SER 16 HB2 SER 16 -2.433 0.121 13.490 114 2HB SER 16 HB3 SER 16 -3.138 -1.402 14.062 115 HG SER 16 HG SER 16 -0.817 -0.067 14.973 116 H GLU 17 H GLU 17 -0.604 -2.043 10.384 117 HA GLU 17 HA GLU 17 -3.307 -2.579 9.246 118 1HB GLU 17 HB2 GLU 17 -1.310 -0.576 8.138 119 2HB GLU 17 HB3 GLU 17 -2.819 -1.097 7.363 120 1HG GLU 17 HG2 GLU 17 -4.065 -0.283 9.404 121 2HG GLU 17 HG3 GLU 17 -2.557 0.465 9.950 122 H GLY 18 H GLY 18 -1.868 -4.703 9.799 123 1HA GLY 18 HA2 GLY 18 -1.862 -6.642 8.360 124 2HA GLY 18 HA3 GLY 18 -1.118 -5.686 7.077 125 H VAL 19 H VAL 19 0.682 -7.071 6.868 126 HA VAL 19 HA VAL 19 2.551 -7.370 9.144 127 HB VAL 19 HB VAL 19 3.096 -7.914 6.185 128 1HG1 VAL 19 HG11 VAL 19 4.487 -8.747 8.778 129 2HG1 VAL 19 HG12 VAL 19 4.900 -9.388 7.183 130 3HG1 VAL 19 HG13 VAL 19 5.135 -7.670 7.521 131 1HG2 VAL 19 HG21 VAL 19 2.785 -10.311 6.669 132 2HG2 VAL 19 HG22 VAL 19 2.182 -9.926 8.282 133 3HG2 VAL 19 HG23 VAL 19 1.267 -9.421 6.840 134 H VAL 20 H VAL 20 4.179 -5.855 9.480 135 HA VAL 20 HA VAL 20 4.608 -3.777 7.420 136 HB VAL 20 HB VAL 20 4.168 -3.203 10.379 137 1HG1 VAL 20 HG11 VAL 20 4.146 -0.804 9.553 138 2HG1 VAL 20 HG12 VAL 20 5.714 -1.592 9.364 139 3HG1 VAL 20 HG13 VAL 20 4.644 -1.395 7.963 140 1HG2 VAL 20 HG21 VAL 20 1.979 -3.692 9.511 141 2HG2 VAL 20 HG22 VAL 20 2.081 -1.936 9.447 142 3HG2 VAL 20 HG23 VAL 20 2.307 -2.868 7.976 143 H LEU 21 H LEU 21 6.763 -3.208 7.263 144 HA LEU 21 HA LEU 21 8.655 -4.555 9.153 145 1HB LEU 21 HB2 LEU 21 8.354 -5.689 6.954 146 2HB LEU 21 HB3 LEU 21 9.031 -4.260 6.155 147 HG LEU 21 HG LEU 21 10.397 -6.036 8.232 148 1HD1 LEU 21 HD11 LEU 21 10.023 -7.146 6.050 149 2HD1 LEU 21 HD12 LEU 21 10.868 -5.813 5.232 150 3HD1 LEU 21 HD13 LEU 21 11.738 -6.876 6.362 151 1HD2 LEU 21 HD21 LEU 21 12.505 -4.878 7.393 152 2HD2 LEU 21 HD22 LEU 21 11.450 -3.629 6.707 153 3HD2 LEU 21 HD23 LEU 21 11.474 -3.939 8.468 154 H ALA 22 H ALA 22 9.314 -2.941 10.384 155 HA ALA 22 HA ALA 22 9.511 -0.212 9.338 156 1HB ALA 22 HB1 ALA 22 10.128 0.294 11.702 157 2HB ALA 22 HB2 ALA 22 8.536 -0.496 11.554 158 3HB ALA 22 HB3 ALA 22 9.958 -1.434 12.081 159 H ASP 23 H ASP 23 11.476 0.900 9.244 160 HA ASP 23 HA ASP 23 14.003 -0.701 9.320 161 1HB ASP 23 HB2 ASP 23 13.420 -0.473 7.016 162 2HB ASP 23 HB3 ASP 23 12.984 1.225 7.217 163 H PHE 24 H PHE 24 14.723 0.000 11.197 164 HA PHE 24 HA PHE 24 14.666 2.796 12.089 165 1HB PHE 24 HB2 PHE 24 15.778 0.198 13.239 166 2HB PHE 24 HB3 PHE 24 16.081 1.771 13.945 167 HD1 PHE 24 HD1 PHE 24 14.626 2.546 15.633 168 HD2 PHE 24 HD2 PHE 24 13.164 -0.368 12.804 169 HE1 PHE 24 HE1 PHE 24 12.405 2.604 16.711 170 HE2 PHE 24 HE2 PHE 24 10.956 -0.313 13.914 171 HZ PHE 24 HZ PHE 24 10.541 1.220 15.803 172 H TRP 25 H TRP 25 16.035 4.154 11.178 173 HA TRP 25 HA TRP 25 18.747 3.381 10.481 174 1HB TRP 25 HB2 TRP 25 18.447 3.159 8.289 175 2HB TRP 25 HB3 TRP 25 16.731 3.136 8.547 176 HD1 TRP 25 HD1 TRP 25 19.385 5.010 6.785 177 HE1 TRP 25 HE1 TRP 25 18.396 7.039 5.572 178 HE3 TRP 25 HE3 TRP 25 14.884 5.282 9.162 179 HZ2 TRP 25 HZ2 TRP 25 16.098 8.766 5.824 180 HZ3 TRP 25 HZ3 TRP 25 13.344 7.205 8.734 181 HH2 TRP 25 HH2 TRP 25 13.952 8.939 7.063 182 H ALA 26 H ALA 26 19.612 5.635 9.213 183 HA ALA 26 HA ALA 26 18.321 8.030 10.081 184 1HB ALA 26 HB1 ALA 26 19.582 7.605 12.168 185 2HB ALA 26 HB2 ALA 26 21.070 7.354 11.225 186 3HB ALA 26 HB3 ALA 26 20.297 8.961 11.287 187 HA PRO 27 HA PRO 27 20.273 8.741 6.181 188 1HB PRO 27 HB2 PRO 27 20.589 11.645 6.849 189 2HB PRO 27 HB3 PRO 27 19.855 10.860 5.407 190 1HG PRO 27 HG2 PRO 27 18.298 11.922 7.407 191 2HG PRO 27 HG3 PRO 27 17.849 10.393 6.587 192 1HD PRO 27 HD2 PRO 27 19.180 10.756 9.277 193 2HD PRO 27 HD3 PRO 27 17.879 9.629 8.785 194 H TRP 28 H TRP 28 22.114 9.661 9.044 195 HA TRP 28 HA TRP 28 24.552 10.204 7.598 196 1HB TRP 28 HB2 TRP 28 25.680 10.026 9.701 197 2HB TRP 28 HB3 TRP 28 24.213 10.957 9.915 198 HD1 TRP 28 HD1 TRP 28 22.469 10.077 11.626 199 HE1 TRP 28 HE1 TRP 28 22.435 8.242 13.395 200 HE3 TRP 28 HE3 TRP 28 26.616 7.457 10.143 201 HZ2 TRP 28 HZ2 TRP 28 23.926 5.830 14.003 202 HZ3 TRP 28 HZ3 TRP 28 27.258 5.372 11.312 203 HH2 TRP 28 HH2 TRP 28 25.918 4.543 13.236 204 H CYS 29 H CYS 29 22.791 7.311 8.266 205 HA CYS 29 HA CYS 29 24.773 5.428 8.776 206 1HB CYS 29 HB2 CYS 29 22.257 5.224 8.992 207 2HB CYS 29 HB3 CYS 29 22.173 5.088 7.262 208 H GLY 30 H GLY 30 25.959 4.012 7.493 209 1HA GLY 30 HA2 GLY 30 26.248 4.585 4.593 210 2HA GLY 30 HA3 GLY 30 27.330 3.623 5.605 211 HA PRO 31 HA PRO 31 25.498 -0.081 4.434 212 1HB PRO 31 HB2 PRO 31 24.563 -1.498 6.657 213 2HB PRO 31 HB3 PRO 31 26.265 -1.342 6.138 214 1HG PRO 31 HG2 PRO 31 24.806 0.244 8.252 215 2HG PRO 31 HG3 PRO 31 26.466 -0.418 8.297 216 1HD PRO 31 HD2 PRO 31 25.949 2.186 7.749 217 2HD PRO 31 HD3 PRO 31 27.287 1.325 6.931 218 H CYS 32 H CYS 32 23.187 1.752 6.414 219 HA CYS 32 HA CYS 32 20.794 0.469 5.668 220 1HB CYS 32 HB2 CYS 32 21.145 3.468 5.932 221 2HB CYS 32 HB3 CYS 32 19.689 2.525 6.172 222 H LYS 33 H LYS 33 22.871 2.715 3.805 223 HA LYS 33 HA LYS 33 20.920 3.286 1.783 224 1HB LYS 33 HB2 LYS 33 23.946 3.397 1.508 225 2HB LYS 33 HB3 LYS 33 22.760 4.291 0.566 226 1HG LYS 33 HG2 LYS 33 23.334 4.686 3.538 227 2HG LYS 33 HG3 LYS 33 23.954 5.678 2.228 228 1HD LYS 33 HD2 LYS 33 21.741 6.522 1.703 229 2HD LYS 33 HD3 LYS 33 20.973 5.367 2.795 230 1HE LYS 33 HE2 LYS 33 21.086 7.659 3.778 231 2HE LYS 33 HE3 LYS 33 21.903 6.425 4.753 232 1HZ LYS 33 HZ1 LYS 33 23.379 8.194 2.899 233 2HZ LYS 33 HZ2 LYS 33 23.121 8.536 4.486 234 3HZ LYS 33 HZ3 LYS 33 23.973 7.208 4.102 235 H MET 34 H MET 34 23.062 0.537 2.359 236 HA MET 34 HA MET 34 23.058 -0.423 -0.348 237 1HB MET 34 HB2 MET 34 23.439 -2.027 2.204 238 2HB MET 34 HB3 MET 34 23.903 -2.503 0.571 239 1HG MET 34 HG2 MET 34 25.494 -0.550 0.520 240 2HG MET 34 HG3 MET 34 25.108 -0.247 2.212 241 1HE MET 34 HE1 MET 34 25.255 -2.362 4.026 242 2HE MET 34 HE2 MET 34 24.918 -3.727 2.942 243 3HE MET 34 HE3 MET 34 26.440 -3.676 3.851 244 H ILE 35 H ILE 35 21.082 -1.085 2.579 245 HA ILE 35 HA ILE 35 19.524 -3.050 1.141 246 HB ILE 35 HB ILE 35 20.153 -3.361 3.483 247 1HG1 ILE 35 HG12 ILE 35 17.155 -3.373 2.985 248 2HG1 ILE 35 HG13 ILE 35 18.305 -4.606 2.466 249 1HG2 ILE 35 HG21 ILE 35 19.913 -1.071 4.307 250 2HG2 ILE 35 HG22 ILE 35 18.142 -1.174 4.135 251 3HG2 ILE 35 HG23 ILE 35 19.011 -2.193 5.305 252 1HD1 ILE 35 HD11 ILE 35 17.502 -3.903 5.315 253 2HD1 ILE 35 HD12 ILE 35 17.171 -5.396 4.425 254 3HD1 ILE 35 HD13 ILE 35 18.831 -5.014 4.912 255 H ALA 36 H ALA 36 19.152 0.415 1.778 256 HA ALA 36 HA ALA 36 16.461 0.771 1.579 257 1HB ALA 36 HB1 ALA 36 16.939 2.977 0.573 258 2HB ALA 36 HB2 ALA 36 18.003 2.596 1.940 259 3HB ALA 36 HB3 ALA 36 18.617 2.478 0.278 260 HA PRO 37 HA PRO 37 16.141 0.526 -3.165 261 1HB PRO 37 HB2 PRO 37 18.044 -0.814 -4.652 262 2HB PRO 37 HB3 PRO 37 18.051 0.951 -4.358 263 1HG PRO 37 HG2 PRO 37 19.568 -1.196 -2.846 264 2HG PRO 37 HG3 PRO 37 20.194 0.357 -3.489 265 1HD PRO 37 HD2 PRO 37 19.491 0.118 -0.901 266 2HD PRO 37 HD3 PRO 37 19.092 1.603 -1.804 267 H VAL 38 H VAL 38 17.608 -2.118 -1.313 268 HA VAL 38 HA VAL 38 16.223 -4.220 -2.696 269 HB VAL 38 HB VAL 38 17.270 -4.330 0.156 270 1HG1 VAL 38 HG11 VAL 38 17.565 -6.687 -0.302 271 2HG1 VAL 38 HG12 VAL 38 15.892 -6.244 -0.667 272 3HG1 VAL 38 HG13 VAL 38 17.052 -6.470 -1.997 273 1HG2 VAL 38 HG21 VAL 38 18.831 -4.759 -2.435 274 2HG2 VAL 38 HG22 VAL 38 19.146 -3.509 -1.215 275 3HG2 VAL 38 HG23 VAL 38 19.391 -5.206 -0.810 276 H LEU 39 H LEU 39 15.515 -2.145 0.195 277 HA LEU 39 HA LEU 39 12.984 -3.358 0.716 278 1HB LEU 39 HB2 LEU 39 13.995 -0.555 1.327 279 2HB LEU 39 HB3 LEU 39 12.466 -1.201 1.901 280 HG LEU 39 HG LEU 39 15.194 -2.371 2.549 281 1HD1 LEU 39 HD11 LEU 39 14.842 -1.450 4.801 282 2HD1 LEU 39 HD12 LEU 39 14.851 -0.168 3.580 283 3HD1 LEU 39 HD13 LEU 39 13.309 -0.715 4.274 284 1HD2 LEU 39 HD21 LEU 39 13.456 -4.116 2.634 285 2HD2 LEU 39 HD22 LEU 39 13.991 -3.704 4.262 286 3HD2 LEU 39 HD23 LEU 39 12.440 -3.080 3.659 287 H GLU 40 H GLU 40 13.920 -0.661 -1.492 288 HA GLU 40 HA GLU 40 11.251 -0.147 -2.333 289 1HB GLU 40 HB2 GLU 40 13.865 0.143 -3.853 290 2HB GLU 40 HB3 GLU 40 12.294 0.652 -4.476 291 1HG GLU 40 HG2 GLU 40 11.991 2.150 -2.524 292 2HG GLU 40 HG3 GLU 40 13.579 1.690 -1.915 293 H GLU 41 H GLU 41 13.600 -2.586 -3.531 294 HA GLU 41 HA GLU 41 11.802 -3.658 -5.476 295 1HB GLU 41 HB2 GLU 41 14.203 -4.857 -4.054 296 2HB GLU 41 HB3 GLU 41 13.222 -5.764 -5.211 297 1HG GLU 41 HG2 GLU 41 13.609 -3.969 -6.917 298 2HG GLU 41 HG3 GLU 41 14.710 -3.170 -5.796 299 H LEU 42 H LEU 42 12.299 -4.429 -2.030 300 HA LEU 42 HA LEU 42 10.506 -6.604 -1.904 301 1HB LEU 42 HB2 LEU 42 12.144 -5.912 -0.100 302 2HB LEU 42 HB3 LEU 42 11.094 -4.548 0.276 303 HG LEU 42 HG LEU 42 9.236 -6.169 0.796 304 1HD1 LEU 42 HD11 LEU 42 9.908 -8.547 1.236 305 2HD1 LEU 42 HD12 LEU 42 9.928 -8.115 -0.477 306 3HD1 LEU 42 HD13 LEU 42 11.457 -8.228 0.424 307 1HD2 LEU 42 HD21 LEU 42 10.489 -5.198 2.597 308 2HD2 LEU 42 HD22 LEU 42 10.261 -6.914 2.969 309 3HD2 LEU 42 HD23 LEU 42 11.830 -6.323 2.366 310 H ASP 43 H ASP 43 9.938 -3.080 -1.512 311 HA ASP 43 HA ASP 43 7.192 -3.195 -0.896 312 1HB ASP 43 HB2 ASP 43 8.674 -1.144 -0.815 313 2HB ASP 43 HB3 ASP 43 8.577 -1.068 -2.585 314 H GLN 44 H GLN 44 8.881 -3.050 -4.026 315 HA GLN 44 HA GLN 44 6.479 -3.020 -5.590 316 1HB GLN 44 HB2 GLN 44 9.385 -3.575 -6.264 317 2HB GLN 44 HB3 GLN 44 8.106 -3.493 -7.484 318 1HG GLN 44 HG2 GLN 44 7.593 -1.199 -6.960 319 2HG GLN 44 HG3 GLN 44 8.605 -1.207 -5.517 320 1HE2 GLN 44 HE22 GLN 44 10.912 -1.336 -5.757 321 2HE2 GLN 44 HE21 GLN 44 11.708 -0.798 -7.236 322 H GLU 45 H GLU 45 7.924 -5.598 -3.871 323 HA GLU 45 HA GLU 45 6.808 -7.696 -5.640 324 1HB GLU 45 HB2 GLU 45 8.841 -7.661 -3.376 325 2HB GLU 45 HB3 GLU 45 8.172 -9.162 -4.004 326 1HG GLU 45 HG2 GLU 45 9.548 -7.123 -5.792 327 2HG GLU 45 HG3 GLU 45 10.409 -8.431 -4.982 328 H MET 46 H MET 46 6.468 -6.232 -2.442 329 HA MET 46 HA MET 46 4.330 -8.219 -1.787 330 1HB MET 46 HB2 MET 46 6.310 -6.914 0.112 331 2HB MET 46 HB3 MET 46 5.113 -8.157 0.484 332 1HG MET 46 HG2 MET 46 6.415 -9.529 -1.389 333 2HG MET 46 HG3 MET 46 7.712 -8.397 -1.013 334 1HE MET 46 HE1 MET 46 5.933 -11.576 -0.231 335 2HE MET 46 HE2 MET 46 5.998 -11.796 1.534 336 3HE MET 46 HE3 MET 46 4.930 -10.552 0.832 337 H GLY 47 H GLY 47 4.677 -4.939 -2.444 338 1HA GLY 47 HA2 GLY 47 3.451 -3.566 -0.416 339 2HA GLY 47 HA3 GLY 47 3.308 -3.163 -2.127 340 H ASP 48 H ASP 48 1.823 -6.023 -2.122 341 HA ASP 48 HA ASP 48 -0.879 -4.978 -1.974 342 1HB ASP 48 HB2 ASP 48 -0.244 -6.659 -3.648 343 2HB ASP 48 HB3 ASP 48 0.203 -7.791 -2.369 344 H LYS 49 H LYS 49 1.314 -6.827 0.091 345 HA LYS 49 HA LYS 49 -0.752 -7.055 2.239 346 1HB LYS 49 HB2 LYS 49 1.548 -8.909 1.426 347 2HB LYS 49 HB3 LYS 49 0.589 -9.117 2.887 348 1HG LYS 49 HG2 LYS 49 -0.603 -9.094 0.093 349 2HG LYS 49 HG3 LYS 49 -0.090 -10.560 0.936 350 1HD LYS 49 HD2 LYS 49 -1.636 -10.069 2.806 351 2HD LYS 49 HD3 LYS 49 -2.245 -8.642 1.966 352 1HE LYS 49 HE2 LYS 49 -2.340 -11.430 0.752 353 2HE LYS 49 HE3 LYS 49 -3.598 -10.828 1.837 354 1HZ LYS 49 HZ1 LYS 49 -4.149 -10.475 -0.496 355 2HZ LYS 49 HZ2 LYS 49 -4.062 -9.058 0.301 356 3HZ LYS 49 HZ3 LYS 49 -2.856 -9.496 -0.716 357 H LEU 50 H LEU 50 2.358 -5.760 1.421 358 HA LEU 50 HA LEU 50 3.128 -5.609 4.280 359 1HB LEU 50 HB2 LEU 50 4.572 -6.973 2.790 360 2HB LEU 50 HB3 LEU 50 4.759 -5.576 1.720 361 HG LEU 50 HG LEU 50 5.924 -4.335 3.538 362 1HD1 LEU 50 HD11 LEU 50 4.994 -5.457 5.513 363 2HD1 LEU 50 HD12 LEU 50 5.723 -6.996 5.016 364 3HD1 LEU 50 HD13 LEU 50 6.741 -5.618 5.491 365 1HD2 LEU 50 HD21 LEU 50 8.011 -5.660 3.421 366 2HD2 LEU 50 HD22 LEU 50 7.084 -7.015 2.728 367 3HD2 LEU 50 HD23 LEU 50 7.203 -5.474 1.856 368 H LYS 51 H LYS 51 3.808 -3.708 5.097 369 HA LYS 51 HA LYS 51 3.929 -1.272 3.373 370 1HB LYS 51 HB2 LYS 51 1.947 -1.185 4.929 371 2HB LYS 51 HB3 LYS 51 3.037 -1.464 6.288 372 1HG LYS 51 HG2 LYS 51 4.271 0.688 5.562 373 2HG LYS 51 HG3 LYS 51 2.919 0.977 4.467 374 1HD LYS 51 HD2 LYS 51 2.711 0.614 7.491 375 2HD LYS 51 HD3 LYS 51 2.811 2.173 6.670 376 1HE LYS 51 HE2 LYS 51 0.709 1.682 5.440 377 2HE LYS 51 HE3 LYS 51 0.584 0.121 6.274 378 1HZ LYS 51 HZ1 LYS 51 0.604 2.771 7.601 379 2HZ LYS 51 HZ2 LYS 51 -0.741 1.850 7.371 380 3HZ LYS 51 HZ3 LYS 51 0.466 1.316 8.360 381 H ILE 52 H ILE 52 5.833 -0.013 3.866 382 HA ILE 52 HA ILE 52 7.760 -1.337 5.719 383 HB ILE 52 HB ILE 52 8.312 -0.016 3.051 384 1HG1 ILE 52 HG12 ILE 52 8.686 -2.894 4.010 385 2HG1 ILE 52 HG13 ILE 52 7.467 -2.326 2.867 386 1HG2 ILE 52 HG21 ILE 52 10.699 -0.459 3.455 387 2HG2 ILE 52 HG22 ILE 52 10.065 0.592 4.708 388 3HG2 ILE 52 HG23 ILE 52 10.324 -1.135 5.056 389 1HD1 ILE 52 HD11 ILE 52 10.447 -2.506 2.396 390 2HD1 ILE 52 HD12 ILE 52 9.133 -3.343 1.558 391 3HD1 ILE 52 HD13 ILE 52 9.346 -1.596 1.335 392 H VAL 53 H VAL 53 8.688 0.109 7.216 393 HA VAL 53 HA VAL 53 7.652 2.928 7.075 394 HB VAL 53 HB VAL 53 7.391 0.966 9.389 395 1HG1 VAL 53 HG11 VAL 53 7.954 3.206 10.295 396 2HG1 VAL 53 HG12 VAL 53 6.710 3.945 9.263 397 3HG1 VAL 53 HG13 VAL 53 6.253 2.840 10.581 398 1HG2 VAL 53 HG21 VAL 53 4.980 1.428 9.144 399 2HG2 VAL 53 HG22 VAL 53 5.308 2.458 7.738 400 3HG2 VAL 53 HG23 VAL 53 5.646 0.720 7.669 401 H LYS 54 H LYS 54 9.562 3.973 6.653 402 HA LYS 54 HA LYS 54 12.026 3.203 8.055 403 1HB LYS 54 HB2 LYS 54 11.436 5.664 6.354 404 2HB LYS 54 HB3 LYS 54 13.023 5.128 6.925 405 1HG LYS 54 HG2 LYS 54 12.788 3.032 5.600 406 2HG LYS 54 HG3 LYS 54 11.222 3.590 5.005 407 1HD LYS 54 HD2 LYS 54 12.901 4.005 3.328 408 2HD LYS 54 HD3 LYS 54 12.301 5.551 3.949 409 1HE LYS 54 HE2 LYS 54 14.307 5.754 5.401 410 2HE LYS 54 HE3 LYS 54 14.882 4.176 4.839 411 1HZ LYS 54 HZ1 LYS 54 15.962 5.979 3.657 412 2HZ LYS 54 HZ2 LYS 54 15.057 5.127 2.603 413 3HZ LYS 54 HZ3 LYS 54 14.539 6.583 3.137 414 H ILE 55 H ILE 55 12.857 4.193 9.912 415 HA ILE 55 HA ILE 55 11.544 6.644 10.881 416 HB ILE 55 HB ILE 55 10.231 4.944 11.901 417 1HG1 ILE 55 HG12 ILE 55 12.107 6.056 14.020 418 2HG1 ILE 55 HG13 ILE 55 10.933 7.036 13.138 419 1HG2 ILE 55 HG21 ILE 55 11.063 3.234 13.428 420 2HG2 ILE 55 HG22 ILE 55 11.794 3.012 11.841 421 3HG2 ILE 55 HG23 ILE 55 12.732 3.751 13.156 422 1HD1 ILE 55 HD11 ILE 55 10.246 4.677 14.935 423 2HD1 ILE 55 HD12 ILE 55 10.010 6.393 15.292 424 3HD1 ILE 55 HD13 ILE 55 9.082 5.640 13.988 425 H ASP 56 H ASP 56 12.939 8.065 11.553 426 HA ASP 56 HA ASP 56 15.790 7.503 11.299 427 1HB ASP 56 HB2 ASP 56 14.937 9.473 10.240 428 2HB ASP 56 HB3 ASP 56 14.216 10.044 11.750 429 H VAL 57 H VAL 57 16.705 6.558 13.081 430 HA VAL 57 HA VAL 57 15.533 6.608 15.650 431 HB VAL 57 HB VAL 57 17.535 5.481 16.432 432 1HG1 VAL 57 HG11 VAL 57 16.814 4.455 13.658 433 2HG1 VAL 57 HG12 VAL 57 17.387 3.520 15.055 434 3HG1 VAL 57 HG13 VAL 57 15.790 4.294 15.093 435 1HG2 VAL 57 HG21 VAL 57 19.446 4.975 14.979 436 2HG2 VAL 57 HG22 VAL 57 18.792 6.019 13.707 437 3HG2 VAL 57 HG23 VAL 57 19.323 6.715 15.250 438 H ASP 58 H ASP 58 17.687 8.973 14.175 439 HA ASP 58 HA ASP 58 18.869 9.935 16.615 440 1HB ASP 58 HB2 ASP 58 19.785 10.409 14.366 441 2HB ASP 58 HB3 ASP 58 18.364 11.397 14.000 442 H GLU 59 H GLU 59 15.745 10.426 15.114 443 HA GLU 59 HA GLU 59 15.041 12.619 17.026 444 1HB GLU 59 HB2 GLU 59 13.981 11.720 14.321 445 2HB GLU 59 HB3 GLU 59 13.107 12.873 15.323 446 1HG GLU 59 HG2 GLU 59 15.968 13.346 14.390 447 2HG GLU 59 HG3 GLU 59 14.545 13.868 13.501 448 H ASN 60 H ASN 60 15.028 9.416 17.118 449 HA ASN 60 HA ASN 60 12.330 9.082 18.315 450 1HB ASN 60 HB2 ASN 60 13.258 7.497 15.880 451 2HB ASN 60 HB3 ASN 60 11.882 7.076 16.887 452 1HD2 ASN 60 HD22 ASN 60 12.985 9.177 14.351 453 2HD2 ASN 60 HD21 ASN 60 11.471 10.041 14.125 454 H GLN 61 H GLN 61 14.804 9.174 19.527 455 HA GLN 61 HA GLN 61 16.138 6.714 19.928 456 1HB GLN 61 HB2 GLN 61 15.723 9.148 21.709 457 2HB GLN 61 HB3 GLN 61 16.853 7.846 22.094 458 1HG GLN 61 HG2 GLN 61 18.325 8.394 20.346 459 2HG GLN 61 HG3 GLN 61 17.087 9.202 19.401 460 1HE2 GLN 61 HE22 GLN 61 17.340 11.364 19.240 461 2HE2 GLN 61 HE21 GLN 61 17.944 12.387 20.526 462 H GLU 62 H GLU 62 13.111 8.012 21.257 463 HA GLU 62 HA GLU 62 12.792 6.202 23.421 464 1HB GLU 62 HB2 GLU 62 10.686 7.639 21.718 465 2HB GLU 62 HB3 GLU 62 10.407 6.850 23.263 466 1HG GLU 62 HG2 GLU 62 10.521 9.138 23.750 467 2HG GLU 62 HG3 GLU 62 12.022 8.437 24.343 468 H THR 63 H THR 63 11.480 6.093 20.009 469 HA THR 63 HA THR 63 10.236 3.587 20.336 470 HB THR 63 HB THR 63 11.285 4.457 17.694 471 HG1 THR 63 HG1 THR 63 9.700 6.118 17.575 472 1HG2 THR 63 HG21 THR 63 9.026 3.933 16.902 473 2HG2 THR 63 HG22 THR 63 9.660 2.595 17.860 474 3HG2 THR 63 HG23 THR 63 8.471 3.701 18.580 475 H ALA 64 H ALA 64 13.508 4.515 19.160 476 HA ALA 64 HA ALA 64 14.419 1.895 18.523 477 1HB ALA 64 HB1 ALA 64 16.698 2.897 18.903 478 2HB ALA 64 HB2 ALA 64 15.665 3.944 17.911 479 3HB ALA 64 HB3 ALA 64 15.940 4.317 19.627 480 H GLY 65 H GLY 65 14.565 3.706 21.645 481 1HA GLY 65 HA2 GLY 65 15.760 1.681 23.202 482 2HA GLY 65 HA3 GLY 65 14.714 2.988 23.788 483 H LYS 66 H LYS 66 12.395 2.090 22.146 484 HA LYS 66 HA LYS 66 11.028 0.489 23.963 485 1HB LYS 66 HB2 LYS 66 10.160 1.997 22.071 486 2HB LYS 66 HB3 LYS 66 10.406 0.621 20.999 487 1HG LYS 66 HG2 LYS 66 8.820 -0.736 22.185 488 2HG LYS 66 HG3 LYS 66 8.712 0.432 23.521 489 1HD LYS 66 HD2 LYS 66 7.675 2.085 22.104 490 2HD LYS 66 HD3 LYS 66 7.939 1.095 20.656 491 1HE LYS 66 HE2 LYS 66 6.467 -0.679 21.624 492 2HE LYS 66 HE3 LYS 66 6.162 0.355 23.025 493 1HZ LYS 66 HZ1 LYS 66 5.427 1.003 20.226 494 2HZ LYS 66 HZ2 LYS 66 4.395 0.533 21.396 495 3HZ LYS 66 HZ3 LYS 66 5.147 1.972 21.518 496 H TYR 67 H TYR 67 13.073 -0.513 21.231 497 HA TYR 67 HA TYR 67 12.625 -3.363 22.036 498 1HB TYR 67 HB2 TYR 67 13.575 -2.630 19.301 499 2HB TYR 67 HB3 TYR 67 12.682 -4.044 19.828 500 HD1 TYR 67 HD1 TYR 67 10.160 -3.708 20.439 501 HD2 TYR 67 HD2 TYR 67 12.533 -0.704 18.446 502 HE1 TYR 67 HE1 TYR 67 8.092 -2.507 19.771 503 HE2 TYR 67 HE2 TYR 67 10.524 0.516 17.842 504 HH TYR 67 HH TYR 67 8.153 0.539 17.879 505 H GLY 68 H GLY 68 14.771 -1.091 22.693 506 1HA GLY 68 HA2 GLY 68 16.986 -1.033 23.195 507 2HA GLY 68 HA3 GLY 68 17.003 -2.801 23.083 508 H VAL 69 H VAL 69 16.135 -0.659 20.351 509 HA VAL 69 HA VAL 69 18.176 -1.756 18.604 510 HB VAL 69 HB VAL 69 16.472 0.755 18.320 511 1HG1 VAL 69 HG11 VAL 69 18.066 -0.826 16.272 512 2HG1 VAL 69 HG12 VAL 69 16.903 0.459 15.880 513 3HG1 VAL 69 HG13 VAL 69 18.361 0.841 16.796 514 1HG2 VAL 69 HG21 VAL 69 14.969 -1.111 18.517 515 2HG2 VAL 69 HG22 VAL 69 15.024 -0.645 16.825 516 3HG2 VAL 69 HG23 VAL 69 15.918 -2.081 17.372 517 H MET 70 H MET 70 20.267 -1.187 18.610 518 HA MET 70 HA MET 70 21.126 1.444 19.700 519 1HB MET 70 HB2 MET 70 21.200 -0.512 21.361 520 2HB MET 70 HB3 MET 70 22.436 -1.232 20.331 521 1HG MET 70 HG2 MET 70 23.418 -0.085 22.235 522 2HG MET 70 HG3 MET 70 23.908 0.709 20.749 523 1HE MET 70 HE1 MET 70 24.342 1.963 23.614 524 2HE MET 70 HE2 MET 70 24.804 2.777 22.101 525 3HE MET 70 HE3 MET 70 23.859 3.649 23.328 526 H SER 71 H SER 71 21.026 -0.415 17.004 527 HA SER 71 HA SER 71 23.389 0.757 15.798 528 1HB SER 71 HB2 SER 71 22.786 -2.237 15.653 529 2HB SER 71 HB3 SER 71 24.091 -1.391 14.807 530 HG SER 71 HG SER 71 24.814 -2.461 16.701 531 H ILE 72 H ILE 72 23.148 0.519 13.351 532 HA ILE 72 HA ILE 72 20.467 -0.149 12.424 533 HB ILE 72 HB ILE 72 20.287 1.970 11.154 534 1HG1 ILE 72 HG12 ILE 72 22.432 3.082 13.017 535 2HG1 ILE 72 HG13 ILE 72 22.692 2.686 11.316 536 1HG2 ILE 72 HG21 ILE 72 19.066 1.503 13.318 537 2HG2 ILE 72 HG22 ILE 72 20.290 2.477 14.154 538 3HG2 ILE 72 HG23 ILE 72 19.242 3.213 12.928 539 1HD1 ILE 72 HD11 ILE 72 20.765 4.800 12.369 540 2HD1 ILE 72 HD12 ILE 72 22.291 5.067 11.514 541 3HD1 ILE 72 HD13 ILE 72 20.930 4.306 10.670 542 HA PRO 73 HA PRO 73 19.536 0.260 10.028 543 1HB PRO 73 HB2 PRO 73 19.003 -1.712 8.213 544 2HB PRO 73 HB3 PRO 73 19.703 -0.134 7.762 545 1HG PRO 73 HG2 PRO 73 21.142 -2.758 8.225 546 2HG PRO 73 HG3 PRO 73 21.368 -1.599 6.880 547 1HD PRO 73 HD2 PRO 73 23.018 -1.646 9.064 548 2HD PRO 73 HD3 PRO 73 22.590 -0.119 8.242 549 H THR 74 H THR 74 17.931 -0.653 11.218 550 HA THR 74 HA THR 74 18.167 -3.519 11.995 551 HB THR 74 HB THR 74 17.622 -1.162 13.836 552 HG1 THR 74 HG1 THR 74 19.601 -1.540 14.341 553 1HG2 THR 74 HG21 THR 74 17.172 -4.145 14.300 554 2HG2 THR 74 HG22 THR 74 17.352 -2.968 15.612 555 3HG2 THR 74 HG23 THR 74 16.002 -2.824 14.479 556 H LEU 75 H LEU 75 16.202 -4.581 12.036 557 HA LEU 75 HA LEU 75 14.014 -3.143 10.630 558 1HB LEU 75 HB2 LEU 75 15.008 -5.976 10.220 559 2HB LEU 75 HB3 LEU 75 13.650 -5.237 9.392 560 HG LEU 75 HG LEU 75 16.582 -4.430 9.130 561 1HD1 LEU 75 HD11 LEU 75 14.722 -5.825 7.159 562 2HD1 LEU 75 HD12 LEU 75 16.421 -5.388 6.884 563 3HD1 LEU 75 HD13 LEU 75 16.013 -6.606 8.095 564 1HD2 LEU 75 HD21 LEU 75 15.833 -3.025 7.212 565 2HD2 LEU 75 HD22 LEU 75 14.145 -3.299 7.696 566 3HD2 LEU 75 HD23 LEU 75 15.262 -2.445 8.775 567 H LEU 76 H LEU 76 12.053 -3.392 11.613 568 HA LEU 76 HA LEU 76 11.756 -5.518 13.734 569 1HB LEU 76 HB2 LEU 76 10.863 -2.611 13.715 570 2HB LEU 76 HB3 LEU 76 9.960 -3.822 14.593 571 HG LEU 76 HG LEU 76 11.516 -2.464 16.003 572 1HD1 LEU 76 HD11 LEU 76 12.045 -5.473 15.945 573 2HD1 LEU 76 HD12 LEU 76 12.375 -4.381 17.303 574 3HD1 LEU 76 HD13 LEU 76 10.710 -4.644 16.769 575 1HD2 LEU 76 HD21 LEU 76 13.780 -4.048 14.759 576 2HD2 LEU 76 HD22 LEU 76 13.400 -2.369 14.338 577 3HD2 LEU 76 HD23 LEU 76 13.864 -2.787 16.000 578 H VAL 77 H VAL 77 10.217 -6.916 13.165 579 HA VAL 77 HA VAL 77 8.470 -6.229 10.845 580 HB VAL 77 HB VAL 77 8.936 -8.991 12.015 581 1HG1 VAL 77 HG11 VAL 77 6.955 -8.695 10.565 582 2HG1 VAL 77 HG12 VAL 77 7.983 -8.031 9.278 583 3HG1 VAL 77 HG13 VAL 77 8.162 -9.724 9.782 584 1HG2 VAL 77 HG21 VAL 77 10.519 -9.451 10.186 585 2HG2 VAL 77 HG22 VAL 77 10.523 -7.733 9.740 586 3HG2 VAL 77 HG23 VAL 77 11.170 -8.265 11.310 587 H LEU 78 H LEU 78 6.374 -5.826 11.401 588 HA LEU 78 HA LEU 78 5.423 -6.680 14.080 589 1HB LEU 78 HB2 LEU 78 4.794 -4.043 12.672 590 2HB LEU 78 HB3 LEU 78 4.086 -4.626 14.167 591 HG LEU 78 HG LEU 78 6.717 -4.747 14.870 592 1HD1 LEU 78 HD11 LEU 78 6.557 -2.365 12.988 593 2HD1 LEU 78 HD12 LEU 78 7.890 -2.743 14.093 594 3HD1 LEU 78 HD13 LEU 78 7.525 -3.814 12.736 595 1HD2 LEU 78 HD21 LEU 78 6.410 -2.669 16.085 596 2HD2 LEU 78 HD22 LEU 78 5.038 -2.221 15.053 597 3HD2 LEU 78 HD23 LEU 78 4.922 -3.616 16.140 598 H LYS 79 H LYS 79 3.181 -7.142 14.154 599 HA LYS 79 HA LYS 79 1.799 -7.314 11.529 600 1HB LYS 79 HB2 LYS 79 2.910 -9.575 12.606 601 2HB LYS 79 HB3 LYS 79 1.345 -9.620 13.399 602 1HG LYS 79 HG2 LYS 79 1.846 -9.409 10.402 603 2HG LYS 79 HG3 LYS 79 1.469 -10.900 11.268 604 1HD LYS 79 HD2 LYS 79 -0.758 -10.000 11.880 605 2HD LYS 79 HD3 LYS 79 -0.381 -8.490 11.042 606 1HE LYS 79 HE2 LYS 79 -1.775 -9.780 9.587 607 2HE LYS 79 HE3 LYS 79 -0.152 -9.714 8.896 608 1HZ LYS 79 HZ1 LYS 79 -1.308 -12.023 10.355 609 2HZ LYS 79 HZ2 LYS 79 -1.014 -11.940 8.734 610 3HZ LYS 79 HZ3 LYS 79 0.229 -11.949 9.750 611 H ASP 80 H ASP 80 0.051 -6.121 11.753 612 HA ASP 80 HA ASP 80 -1.719 -5.034 12.602 613 1HB ASP 80 HB2 ASP 80 -2.549 -7.347 12.456 614 2HB ASP 80 HB3 ASP 80 -2.114 -7.616 14.143 615 H GLY 81 H GLY 81 0.658 -4.307 13.861 616 1HA GLY 81 HA2 GLY 81 0.779 -2.474 15.268 617 2HA GLY 81 HA3 GLY 81 -0.518 -3.100 16.276 618 H GLU 82 H GLU 82 1.540 -5.758 16.028 619 HA GLU 82 HA GLU 82 3.247 -4.817 18.279 620 1HB GLU 82 HB2 GLU 82 2.731 -6.752 19.507 621 2HB GLU 82 HB3 GLU 82 1.196 -6.067 18.949 622 1HG GLU 82 HG2 GLU 82 1.066 -7.779 17.171 623 2HG GLU 82 HG3 GLU 82 2.590 -8.482 17.721 624 H VAL 83 H VAL 83 5.294 -5.834 18.477 625 HA VAL 83 HA VAL 83 6.557 -6.517 15.989 626 HB VAL 83 HB VAL 83 7.555 -6.869 18.843 627 1HG1 VAL 83 HG11 VAL 83 9.814 -6.789 17.800 628 2HG1 VAL 83 HG12 VAL 83 8.900 -8.184 17.237 629 3HG1 VAL 83 HG13 VAL 83 9.071 -6.761 16.187 630 1HG2 VAL 83 HG21 VAL 83 8.751 -4.748 18.468 631 2HG2 VAL 83 HG22 VAL 83 7.975 -4.560 16.887 632 3HG2 VAL 83 HG23 VAL 83 7.008 -4.492 18.379 633 H VAL 84 H VAL 84 6.770 -8.348 15.018 634 HA VAL 84 HA VAL 84 6.228 -10.875 16.472 635 HB VAL 84 HB VAL 84 4.519 -10.073 14.784 636 1HG1 VAL 84 HG11 VAL 84 5.943 -9.220 13.014 637 2HG1 VAL 84 HG12 VAL 84 6.675 -10.820 12.771 638 3HG1 VAL 84 HG13 VAL 84 4.970 -10.554 12.396 639 1HG2 VAL 84 HG21 VAL 84 4.533 -12.334 15.602 640 2HG2 VAL 84 HG22 VAL 84 4.138 -12.319 13.876 641 3HG2 VAL 84 HG23 VAL 84 5.764 -12.806 14.419 642 H GLU 85 H GLU 85 8.644 -9.034 14.581 643 HA GLU 85 HA GLU 85 10.536 -11.112 15.296 644 1HB GLU 85 HB2 GLU 85 9.409 -11.179 12.621 645 2HB GLU 85 HB3 GLU 85 11.083 -10.697 12.488 646 1HG GLU 85 HG2 GLU 85 10.131 -13.194 13.954 647 2HG GLU 85 HG3 GLU 85 10.679 -13.148 12.286 648 H THR 86 H THR 86 12.807 -10.467 14.582 649 HA THR 86 HA THR 86 13.157 -7.573 14.047 650 HB THR 86 HB THR 86 14.687 -9.090 16.195 651 HG1 THR 86 HG1 THR 86 12.535 -8.837 16.839 652 1HG2 THR 86 HG21 THR 86 15.927 -7.155 15.376 653 2HG2 THR 86 HG22 THR 86 14.493 -6.119 15.537 654 3HG2 THR 86 HG23 THR 86 15.290 -6.784 16.981 655 H SER 87 H SER 87 15.152 -7.144 12.954 656 HA SER 87 HA SER 87 17.123 -9.270 12.539 657 1HB SER 87 HB2 SER 87 15.385 -8.110 10.347 658 2HB SER 87 HB3 SER 87 17.090 -8.431 10.007 659 HG SER 87 HG SER 87 15.303 -10.325 11.139 660 H VAL 88 H VAL 88 19.185 -8.327 11.817 661 HA VAL 88 HA VAL 88 19.371 -5.368 11.933 662 HB VAL 88 HB VAL 88 21.213 -7.301 13.386 663 1HG1 VAL 88 HG11 VAL 88 22.142 -5.227 14.423 664 2HG1 VAL 88 HG12 VAL 88 22.398 -5.275 12.680 665 3HG1 VAL 88 HG13 VAL 88 21.110 -4.253 13.355 666 1HG2 VAL 88 HG21 VAL 88 19.091 -7.217 14.617 667 2HG2 VAL 88 HG22 VAL 88 20.331 -6.324 15.495 668 3HG2 VAL 88 HG23 VAL 88 19.109 -5.440 14.559 669 H GLY 89 H GLY 89 20.968 -4.558 10.525 670 1HA GLY 89 HA2 GLY 89 22.684 -4.591 8.980 671 2HA GLY 89 HA3 GLY 89 22.892 -6.324 9.228 672 H PHE 90 H PHE 90 23.203 -5.914 6.791 673 HA PHE 90 HA PHE 90 20.968 -5.420 5.084 674 1HB PHE 90 HB2 PHE 90 23.334 -5.111 4.445 675 2HB PHE 90 HB3 PHE 90 23.617 -6.840 4.589 676 HD1 PHE 90 HD1 PHE 90 22.719 -8.426 2.896 677 HD2 PHE 90 HD2 PHE 90 22.173 -4.162 2.514 678 HE1 PHE 90 HE1 PHE 90 22.053 -8.721 0.524 679 HE2 PHE 90 HE2 PHE 90 21.532 -4.463 0.135 680 HZ PHE 90 HZ PHE 90 21.458 -6.741 -0.859 681 H LYS 91 H LYS 91 19.647 -6.868 3.928 682 HA LYS 91 HA LYS 91 20.098 -9.738 4.081 683 1HB LYS 91 HB2 LYS 91 17.534 -8.426 5.100 684 2HB LYS 91 HB3 LYS 91 17.480 -9.954 4.238 685 1HG LYS 91 HG2 LYS 91 17.611 -10.833 6.281 686 2HG LYS 91 HG3 LYS 91 19.340 -10.705 5.972 687 1HD LYS 91 HD2 LYS 91 19.238 -8.442 7.204 688 2HD LYS 91 HD3 LYS 91 17.587 -8.852 7.658 689 1HE LYS 91 HE2 LYS 91 20.080 -10.515 8.270 690 2HE LYS 91 HE3 LYS 91 19.326 -9.398 9.401 691 1HZ LYS 91 HZ1 LYS 91 17.337 -10.796 9.400 692 2HZ LYS 91 HZ2 LYS 91 18.008 -11.822 8.302 693 3HZ LYS 91 HZ3 LYS 91 18.643 -11.688 9.792 694 HA PRO 92 HA PRO 92 18.986 -8.782 -0.163 695 1HB PRO 92 HB2 PRO 92 18.727 -11.293 -1.226 696 2HB PRO 92 HB3 PRO 92 20.306 -10.595 -0.759 697 1HG PRO 92 HG2 PRO 92 18.553 -12.475 0.852 698 2HG PRO 92 HG3 PRO 92 20.310 -12.609 0.525 699 1HD PRO 92 HD2 PRO 92 19.350 -11.528 2.842 700 2HD PRO 92 HD3 PRO 92 20.823 -10.892 2.056 701 H LYS 93 H LYS 93 17.154 -9.033 -1.656 702 HA LYS 93 HA LYS 93 14.670 -8.701 -0.396 703 1HB LYS 93 HB2 LYS 93 13.709 -8.666 -2.635 704 2HB LYS 93 HB3 LYS 93 15.170 -7.705 -2.514 705 1HG LYS 93 HG2 LYS 93 16.340 -9.902 -3.491 706 2HG LYS 93 HG3 LYS 93 14.689 -10.281 -4.012 707 1HD LYS 93 HD2 LYS 93 14.615 -7.999 -5.126 708 2HD LYS 93 HD3 LYS 93 16.314 -7.775 -4.648 709 1HE LYS 93 HE2 LYS 93 16.782 -9.998 -5.886 710 2HE LYS 93 HE3 LYS 93 15.140 -9.862 -6.532 711 1HZ LYS 93 HZ1 LYS 93 16.605 -8.895 -8.102 712 2HZ LYS 93 HZ2 LYS 93 15.863 -7.611 -7.383 713 3HZ LYS 93 HZ3 LYS 93 17.395 -8.007 -6.985 714 H GLU 94 H GLU 94 16.041 -11.685 -1.709 715 HA GLU 94 HA GLU 94 13.631 -13.204 -1.582 716 1HB GLU 94 HB2 GLU 94 15.650 -13.874 -2.841 717 2HB GLU 94 HB3 GLU 94 16.528 -14.124 -1.325 718 1HG GLU 94 HG2 GLU 94 14.927 -15.907 -0.684 719 2HG GLU 94 HG3 GLU 94 13.987 -15.606 -2.147 720 H ALA 95 H ALA 95 16.322 -12.781 0.806 721 HA ALA 95 HA ALA 95 15.158 -14.436 2.808 722 1HB ALA 95 HB1 ALA 95 17.550 -13.811 2.813 723 2HB ALA 95 HB2 ALA 95 17.105 -12.108 3.100 724 3HB ALA 95 HB3 ALA 95 16.763 -13.338 4.331 725 H LEU 96 H LEU 96 14.944 -10.942 2.118 726 HA LEU 96 HA LEU 96 13.349 -10.224 4.347 727 1HB LEU 96 HB2 LEU 96 13.604 -9.095 1.553 728 2HB LEU 96 HB3 LEU 96 12.594 -8.351 2.784 729 HG LEU 96 HG LEU 96 15.567 -8.831 3.228 730 1HD1 LEU 96 HD11 LEU 96 14.202 -6.345 2.118 731 2HD1 LEU 96 HD12 LEU 96 15.895 -6.443 2.658 732 3HD1 LEU 96 HD13 LEU 96 15.361 -7.407 1.288 733 1HD2 LEU 96 HD21 LEU 96 13.571 -6.965 4.585 734 2HD2 LEU 96 HD22 LEU 96 14.261 -8.448 5.287 735 3HD2 LEU 96 HD23 LEU 96 15.307 -7.070 4.941 736 H GLN 97 H GLN 97 12.367 -11.303 1.055 737 HA GLN 97 HA GLN 97 9.581 -11.121 1.547 738 1HB GLN 97 HB2 GLN 97 11.308 -12.761 -0.341 739 2HB GLN 97 HB3 GLN 97 9.612 -13.204 -0.174 740 1HG GLN 97 HG2 GLN 97 8.823 -11.161 -0.999 741 2HG GLN 97 HG3 GLN 97 10.392 -10.357 -0.779 742 1HE2 GLN 97 HE22 GLN 97 12.123 -10.866 -2.205 743 2HE2 GLN 97 HE21 GLN 97 11.802 -11.473 -3.829 744 H GLU 98 H GLU 98 11.886 -13.765 2.230 745 HA GLU 98 HA GLU 98 9.849 -15.569 3.121 746 1HB GLU 98 HB2 GLU 98 12.843 -15.439 3.640 747 2HB GLU 98 HB3 GLU 98 11.833 -16.719 4.307 748 1HG GLU 98 HG2 GLU 98 12.038 -16.116 1.323 749 2HG GLU 98 HG3 GLU 98 13.023 -17.303 2.167 750 H LEU 99 H LEU 99 11.800 -13.128 4.837 751 HA LEU 99 HA LEU 99 10.933 -13.709 7.464 752 1HB LEU 99 HB2 LEU 99 12.930 -12.420 6.900 753 2HB LEU 99 HB3 LEU 99 11.959 -11.205 6.075 754 HG LEU 99 HG LEU 99 10.897 -10.560 8.167 755 1HD1 LEU 99 HD11 LEU 99 12.788 -12.626 9.395 756 2HD1 LEU 99 HD12 LEU 99 11.954 -11.376 10.338 757 3HD1 LEU 99 HD13 LEU 99 11.012 -12.609 9.494 758 1HD2 LEU 99 HD21 LEU 99 12.912 -9.412 7.361 759 2HD2 LEU 99 HD22 LEU 99 12.898 -9.447 9.134 760 3HD2 LEU 99 HD23 LEU 99 13.946 -10.563 8.233 761 H VAL 100 H VAL 100 9.544 -11.553 4.894 762 HA VAL 100 HA VAL 100 7.354 -10.655 6.504 763 HB VAL 100 HB VAL 100 7.705 -10.953 3.500 764 1HG1 VAL 100 HG11 VAL 100 5.592 -9.379 5.024 765 2HG1 VAL 100 HG12 VAL 100 5.912 -9.217 3.290 766 3HG1 VAL 100 HG13 VAL 100 5.318 -10.750 3.932 767 1HG2 VAL 100 HG21 VAL 100 7.853 -8.310 4.961 768 2HG2 VAL 100 HG22 VAL 100 9.283 -9.329 4.838 769 3HG2 VAL 100 HG23 VAL 100 8.497 -8.799 3.362 770 H ASN 101 H ASN 101 7.807 -13.359 4.243 771 HA ASN 101 HA ASN 101 5.188 -14.135 3.862 772 1HB ASN 101 HB2 ASN 101 7.150 -14.924 2.547 773 2HB ASN 101 HB3 ASN 101 7.628 -15.957 3.898 774 1HD2 ASN 101 HD22 ASN 101 5.503 -15.578 1.164 775 2HD2 ASN 101 HD21 ASN 101 4.673 -17.104 1.322 776 H LYS 102 H LYS 102 7.423 -15.183 6.416 777 HA LYS 102 HA LYS 102 5.716 -17.285 7.366 778 1HB LYS 102 HB2 LYS 102 7.276 -17.456 9.231 779 2HB LYS 102 HB3 LYS 102 8.105 -17.354 7.673 780 1HG LYS 102 HG2 LYS 102 8.596 -14.956 8.098 781 2HG LYS 102 HG3 LYS 102 7.717 -15.061 9.622 782 1HD LYS 102 HD2 LYS 102 10.077 -15.120 10.078 783 2HD LYS 102 HD3 LYS 102 9.384 -16.704 10.460 784 1HE LYS 102 HE2 LYS 102 10.181 -17.584 8.273 785 2HE LYS 102 HE3 LYS 102 10.831 -15.996 7.858 786 1HZ LYS 102 HZ1 LYS 102 12.548 -17.469 8.714 787 2HZ LYS 102 HZ2 LYS 102 12.364 -16.221 9.746 788 3HZ LYS 102 HZ3 LYS 102 11.751 -17.691 10.115 789 H HIS 103 H HIS 103 5.206 -13.971 7.656 790 HA HIS 103 HA HIS 103 3.460 -14.393 10.048 791 1HB HIS 103 HB2 HIS 103 4.816 -11.816 9.206 792 2HB HIS 103 HB3 HIS 103 3.835 -12.071 10.647 793 HD1 HIS 103 HD1 HIS 103 5.056 -14.251 12.279 794 HD2 HIS 103 HD2 HIS 103 7.332 -11.933 9.620 795 HE1 HIS 103 HE1 HIS 103 7.476 -14.443 13.056 796 H LEU 104 H LEU 104 3.254 -14.108 6.759 797 HA LEU 104 HA LEU 104 1.277 -12.117 6.324 798 1HB LEU 104 HB2 LEU 104 1.886 -14.776 5.000 799 2HB LEU 104 HB3 LEU 104 0.558 -13.759 4.449 800 HG LEU 104 HG LEU 104 3.461 -12.842 4.542 801 1HD1 LEU 104 HD11 LEU 104 1.791 -13.784 2.166 802 2HD1 LEU 104 HD12 LEU 104 3.460 -13.180 2.108 803 3HD1 LEU 104 HD13 LEU 104 3.097 -14.708 2.930 804 1HD2 LEU 104 HD21 LEU 104 2.665 -11.037 3.029 805 2HD2 LEU 104 HD22 LEU 104 0.996 -11.616 3.224 806 3HD2 LEU 104 HD23 LEU 104 1.884 -10.944 4.604 Start of MODEL 4 1 1H MET 1 H1 MET 1 0.725 -2.261 0.568 2 2H MET 1 H2 MET 1 1.174 -1.491 1.922 3 3H MET 1 H3 MET 1 -0.428 -1.741 1.606 4 HA MET 1 HA MET 1 -0.258 -0.431 -0.399 5 1HB MET 1 HB2 MET 1 -0.187 1.821 0.626 6 2HB MET 1 HB3 MET 1 -1.341 0.693 1.303 7 1HG MET 1 HG2 MET 1 0.036 0.344 3.279 8 2HG MET 1 HG3 MET 1 1.312 1.378 2.637 9 1HE MET 1 HE1 MET 1 -0.071 4.964 2.950 10 2HE MET 1 HE2 MET 1 1.319 3.928 2.562 11 3HE MET 1 HE3 MET 1 -0.090 3.978 1.475 12 H ALA 2 H ALA 2 2.532 0.935 1.536 13 HA ALA 2 HA ALA 2 4.321 0.735 -0.746 14 1HB ALA 2 HB1 ALA 2 4.456 3.182 -1.051 15 2HB ALA 2 HB2 ALA 2 2.815 2.625 -1.392 16 3HB ALA 2 HB3 ALA 2 3.176 3.423 0.157 17 H ILE 3 H ILE 3 6.280 2.402 -0.058 18 HA ILE 3 HA ILE 3 7.024 1.881 2.724 19 HB ILE 3 HB ILE 3 8.273 3.559 0.517 20 1HG1 ILE 3 HG12 ILE 3 9.685 1.123 1.551 21 2HG1 ILE 3 HG13 ILE 3 8.209 0.782 0.662 22 1HG2 ILE 3 HG21 ILE 3 9.406 2.856 3.263 23 2HG2 ILE 3 HG22 ILE 3 10.357 3.532 1.921 24 3HG2 ILE 3 HG23 ILE 3 9.050 4.480 2.631 25 1HD1 ILE 3 HD11 ILE 3 8.975 2.043 -1.256 26 2HD1 ILE 3 HD12 ILE 3 10.471 2.515 -0.394 27 3HD1 ILE 3 HD13 ILE 3 10.178 0.811 -0.789 28 H VAL 4 H VAL 4 7.040 3.436 4.343 29 HA VAL 4 HA VAL 4 5.692 6.045 3.923 30 HB VAL 4 HB VAL 4 5.020 3.973 6.061 31 1HG1 VAL 4 HG11 VAL 4 4.484 6.136 6.935 32 2HG1 VAL 4 HG12 VAL 4 3.714 6.640 5.402 33 3HG1 VAL 4 HG13 VAL 4 2.982 5.403 6.442 34 1HG2 VAL 4 HG21 VAL 4 4.137 3.103 3.978 35 2HG2 VAL 4 HG22 VAL 4 2.795 3.750 4.904 36 3HG2 VAL 4 HG23 VAL 4 3.455 4.689 3.548 37 H LYS 5 H LYS 5 6.001 7.381 5.954 38 HA LYS 5 HA LYS 5 8.630 6.893 7.287 39 1HB LYS 5 HB2 LYS 5 8.532 8.871 5.659 40 2HB LYS 5 HB3 LYS 5 7.253 9.541 6.661 41 1HG LYS 5 HG2 LYS 5 9.277 10.672 7.208 42 2HG LYS 5 HG3 LYS 5 8.809 9.701 8.588 43 1HD LYS 5 HD2 LYS 5 11.240 9.625 8.213 44 2HD LYS 5 HD3 LYS 5 10.521 8.032 8.057 45 1HE LYS 5 HE2 LYS 5 12.159 8.307 6.309 46 2HE LYS 5 HE3 LYS 5 10.553 8.231 5.585 47 1HZ LYS 5 HZ1 LYS 5 12.078 10.743 6.063 48 2HZ LYS 5 HZ2 LYS 5 11.921 10.005 4.620 49 3HZ LYS 5 HZ3 LYS 5 10.617 10.653 5.340 50 H ALA 6 H ALA 6 8.548 7.281 9.563 51 HA ALA 6 HA ALA 6 6.033 8.231 10.765 52 1HB ALA 6 HB1 ALA 6 5.698 5.770 10.608 53 2HB ALA 6 HB2 ALA 6 7.229 5.517 11.487 54 3HB ALA 6 HB3 ALA 6 5.854 6.308 12.287 55 H THR 7 H THR 7 6.297 8.415 13.144 56 HA THR 7 HA THR 7 9.053 8.605 14.147 57 HB THR 7 HB THR 7 8.382 10.679 15.409 58 HG1 THR 7 HG1 THR 7 6.276 10.694 13.510 59 1HG2 THR 7 HG21 THR 7 8.474 11.055 12.387 60 2HG2 THR 7 HG22 THR 7 8.856 12.272 13.627 61 3HG2 THR 7 HG23 THR 7 9.875 10.833 13.454 62 H ASP 8 H ASP 8 8.763 8.884 16.675 63 HA ASP 8 HA ASP 8 7.356 6.767 17.754 64 1HB ASP 8 HB2 ASP 8 9.127 8.267 18.850 65 2HB ASP 8 HB3 ASP 8 7.824 9.395 19.208 66 H GLN 9 H GLN 9 6.148 9.916 16.913 67 HA GLN 9 HA GLN 9 3.744 10.038 18.405 68 1HB GLN 9 HB2 GLN 9 4.366 11.251 15.682 69 2HB GLN 9 HB3 GLN 9 3.154 11.819 16.824 70 1HG GLN 9 HG2 GLN 9 4.887 12.532 18.400 71 2HG GLN 9 HG3 GLN 9 6.161 11.865 17.373 72 1HE2 GLN 9 HE22 GLN 9 6.175 12.697 15.016 73 2HE2 GLN 9 HE21 GLN 9 5.920 14.422 14.825 74 H SER 10 H SER 10 4.533 8.469 15.316 75 HA SER 10 HA SER 10 1.672 7.811 14.841 76 1HB SER 10 HB2 SER 10 2.411 8.048 12.430 77 2HB SER 10 HB3 SER 10 2.429 9.528 13.412 78 HG SER 10 HG SER 10 4.293 9.419 12.216 79 H PHE 11 H PHE 11 4.824 6.431 15.240 80 HA PHE 11 HA PHE 11 4.933 4.378 13.474 81 1HB PHE 11 HB2 PHE 11 6.654 5.050 15.160 82 2HB PHE 11 HB3 PHE 11 5.731 4.238 16.415 83 HD1 PHE 11 HD1 PHE 11 7.752 3.826 13.339 84 HD2 PHE 11 HD2 PHE 11 5.784 1.776 16.589 85 HE1 PHE 11 HE1 PHE 11 8.966 1.763 12.770 86 HE2 PHE 11 HE2 PHE 11 6.985 -0.309 15.988 87 HZ PHE 11 HZ PHE 11 8.582 -0.327 14.092 88 H SER 12 H SER 12 3.254 4.159 16.675 89 HA SER 12 HA SER 12 2.508 1.478 16.412 90 1HB SER 12 HB2 SER 12 0.958 3.623 17.906 91 2HB SER 12 HB3 SER 12 1.076 1.896 18.296 92 HG SER 12 HG SER 12 2.454 3.190 19.603 93 H ALA 13 H ALA 13 0.842 4.408 15.263 94 HA ALA 13 HA ALA 13 -1.583 3.043 14.543 95 1HB ALA 13 HB1 ALA 13 -1.528 5.488 14.932 96 2HB ALA 13 HB2 ALA 13 -0.446 5.692 13.533 97 3HB ALA 13 HB3 ALA 13 -2.104 5.107 13.298 98 H GLU 14 H GLU 14 1.388 4.005 12.813 99 HA GLU 14 HA GLU 14 0.506 3.107 10.266 100 1HB GLU 14 HB2 GLU 14 3.303 3.546 11.401 101 2HB GLU 14 HB3 GLU 14 3.027 3.042 9.738 102 1HG GLU 14 HG2 GLU 14 2.073 5.632 11.010 103 2HG GLU 14 HG3 GLU 14 3.370 5.441 9.830 104 H THR 15 H THR 15 2.151 1.376 12.917 105 HA THR 15 HA THR 15 2.522 -0.978 11.303 106 HB THR 15 HB THR 15 3.419 -1.883 13.475 107 HG1 THR 15 HG1 THR 15 3.291 0.806 14.317 108 1HG2 THR 15 HG21 THR 15 4.962 -0.993 11.853 109 2HG2 THR 15 HG22 THR 15 4.574 0.684 12.285 110 3HG2 THR 15 HG23 THR 15 5.433 -0.353 13.432 111 H SER 16 H SER 16 -0.290 0.165 12.548 112 HA SER 16 HA SER 16 -1.242 -2.471 13.461 113 1HB SER 16 HB2 SER 16 -2.445 0.311 13.744 114 2HB SER 16 HB3 SER 16 -3.187 -1.186 14.338 115 HG SER 16 HG SER 16 -0.797 0.067 15.189 116 H GLU 17 H GLU 17 -0.694 -1.952 10.658 117 HA GLU 17 HA GLU 17 -3.405 -2.472 9.542 118 1HB GLU 17 HB2 GLU 17 -1.348 -0.565 8.371 119 2HB GLU 17 HB3 GLU 17 -2.819 -1.124 7.552 120 1HG GLU 17 HG2 GLU 17 -4.149 -0.201 9.518 121 2HG GLU 17 HG3 GLU 17 -2.660 0.590 10.055 122 H GLY 18 H GLY 18 -2.082 -4.597 10.241 123 1HA GLY 18 HA2 GLY 18 -1.955 -6.647 9.064 124 2HA GLY 18 HA3 GLY 18 -1.381 -5.800 7.622 125 H VAL 19 H VAL 19 0.411 -7.242 7.476 126 HA VAL 19 HA VAL 19 2.510 -7.216 9.531 127 HB VAL 19 HB VAL 19 2.578 -8.123 6.610 128 1HG1 VAL 19 HG11 VAL 19 4.602 -8.552 8.864 129 2HG1 VAL 19 HG12 VAL 19 4.674 -9.308 7.258 130 3HG1 VAL 19 HG13 VAL 19 4.861 -7.560 7.415 131 1HG2 VAL 19 HG21 VAL 19 1.071 -9.543 7.973 132 2HG2 VAL 19 HG22 VAL 19 2.540 -10.417 7.542 133 3HG2 VAL 19 HG23 VAL 19 2.357 -9.756 9.181 134 H VAL 20 H VAL 20 4.084 -5.692 9.649 135 HA VAL 20 HA VAL 20 4.451 -3.758 7.442 136 HB VAL 20 HB VAL 20 4.053 -3.037 10.385 137 1HG1 VAL 20 HG11 VAL 20 4.527 -1.298 7.923 138 2HG1 VAL 20 HG12 VAL 20 4.067 -0.680 9.519 139 3HG1 VAL 20 HG13 VAL 20 5.620 -1.488 9.308 140 1HG2 VAL 20 HG21 VAL 20 1.991 -1.774 9.416 141 2HG2 VAL 20 HG22 VAL 20 2.186 -2.780 7.985 142 3HG2 VAL 20 HG23 VAL 20 1.864 -3.523 9.560 143 H LEU 21 H LEU 21 6.633 -3.153 7.264 144 HA LEU 21 HA LEU 21 8.535 -4.539 9.118 145 1HB LEU 21 HB2 LEU 21 8.161 -5.614 6.888 146 2HB LEU 21 HB3 LEU 21 8.856 -4.178 6.120 147 HG LEU 21 HG LEU 21 10.202 -6.105 8.068 148 1HD1 LEU 21 HD11 LEU 21 9.821 -6.984 5.781 149 2HD1 LEU 21 HD12 LEU 21 10.709 -5.596 5.110 150 3HD1 LEU 21 HD13 LEU 21 11.541 -6.787 6.136 151 1HD2 LEU 21 HD21 LEU 21 12.339 -4.925 7.386 152 2HD2 LEU 21 HD22 LEU 21 11.333 -3.600 6.770 153 3HD2 LEU 21 HD23 LEU 21 11.305 -4.044 8.502 154 H ALA 22 H ALA 22 9.253 -2.938 10.367 155 HA ALA 22 HA ALA 22 9.487 -0.210 9.329 156 1HB ALA 22 HB1 ALA 22 9.934 -1.455 12.062 157 2HB ALA 22 HB2 ALA 22 10.146 0.268 11.689 158 3HB ALA 22 HB3 ALA 22 8.533 -0.482 11.548 159 H ASP 23 H ASP 23 11.467 0.859 9.219 160 HA ASP 23 HA ASP 23 13.977 -0.760 9.331 161 1HB ASP 23 HB2 ASP 23 13.423 -0.561 7.015 162 2HB ASP 23 HB3 ASP 23 12.998 1.144 7.191 163 H PHE 24 H PHE 24 14.674 -0.033 11.207 164 HA PHE 24 HA PHE 24 14.626 2.774 12.051 165 1HB PHE 24 HB2 PHE 24 15.747 0.200 13.245 166 2HB PHE 24 HB3 PHE 24 16.038 1.790 13.924 167 HD1 PHE 24 HD1 PHE 24 13.167 -0.432 12.850 168 HD2 PHE 24 HD2 PHE 24 14.545 2.646 15.542 169 HE1 PHE 24 HE1 PHE 24 10.948 -0.365 13.942 170 HE2 PHE 24 HE2 PHE 24 12.320 2.709 16.607 171 HZ PHE 24 HZ PHE 24 10.490 1.246 15.757 172 H TRP 25 H TRP 25 16.013 4.123 11.149 173 HA TRP 25 HA TRP 25 18.722 3.325 10.457 174 1HB TRP 25 HB2 TRP 25 18.418 3.103 8.266 175 2HB TRP 25 HB3 TRP 25 16.700 3.110 8.518 176 HD1 TRP 25 HD1 TRP 25 19.397 4.944 6.774 177 HE1 TRP 25 HE1 TRP 25 18.453 7.002 5.575 178 HE3 TRP 25 HE3 TRP 25 14.889 5.281 9.131 179 HZ2 TRP 25 HZ2 TRP 25 16.235 8.823 5.905 180 HZ3 TRP 25 HZ3 TRP 25 13.427 7.276 8.775 181 HH2 TRP 25 HH2 TRP 25 14.117 9.059 7.192 182 H ALA 26 H ALA 26 19.623 5.562 9.205 183 HA ALA 26 HA ALA 26 18.349 7.975 10.045 184 1HB ALA 26 HB1 ALA 26 20.324 8.893 11.268 185 2HB ALA 26 HB2 ALA 26 19.568 7.563 12.151 186 3HB ALA 26 HB3 ALA 26 21.068 7.271 11.238 187 HA PRO 27 HA PRO 27 20.384 8.719 6.189 188 1HB PRO 27 HB2 PRO 27 20.759 11.599 6.928 189 2HB PRO 27 HB3 PRO 27 20.031 10.867 5.456 190 1HG PRO 27 HG2 PRO 27 18.467 11.922 7.452 191 2HG PRO 27 HG3 PRO 27 17.994 10.426 6.589 192 1HD PRO 27 HD2 PRO 27 19.283 10.691 9.310 193 2HD PRO 27 HD3 PRO 27 17.964 9.608 8.769 194 H TRP 28 H TRP 28 22.183 9.558 9.108 195 HA TRP 28 HA TRP 28 24.662 10.065 7.718 196 1HB TRP 28 HB2 TRP 28 25.741 9.860 9.844 197 2HB TRP 28 HB3 TRP 28 24.289 10.817 10.029 198 HD1 TRP 28 HD1 TRP 28 22.490 9.963 11.697 199 HE1 TRP 28 HE1 TRP 28 22.387 8.128 13.463 200 HE3 TRP 28 HE3 TRP 28 26.621 7.271 10.300 201 HZ2 TRP 28 HZ2 TRP 28 23.824 5.692 14.104 202 HZ3 TRP 28 HZ3 TRP 28 27.202 5.177 11.483 203 HH2 TRP 28 HH2 TRP 28 25.809 4.371 13.378 204 H CYS 29 H CYS 29 22.832 7.205 8.323 205 HA CYS 29 HA CYS 29 24.774 5.281 8.864 206 1HB CYS 29 HB2 CYS 29 22.243 5.124 9.027 207 2HB CYS 29 HB3 CYS 29 22.203 4.994 7.295 208 H GLY 30 H GLY 30 25.915 3.815 7.580 209 1HA GLY 30 HA2 GLY 30 26.267 4.441 4.694 210 2HA GLY 30 HA3 GLY 30 27.338 3.462 5.706 211 HA PRO 31 HA PRO 31 25.469 -0.223 4.470 212 1HB PRO 31 HB2 PRO 31 24.457 -1.619 6.687 213 2HB PRO 31 HB3 PRO 31 26.161 -1.545 6.155 214 1HG PRO 31 HG2 PRO 31 24.794 0.112 8.279 215 2HG PRO 31 HG3 PRO 31 26.416 -0.642 8.320 216 1HD PRO 31 HD2 PRO 31 26.094 1.977 7.791 217 2HD PRO 31 HD3 PRO 31 27.319 1.027 6.902 218 H CYS 32 H CYS 32 23.177 1.651 6.435 219 HA CYS 32 HA CYS 32 20.762 0.436 5.653 220 1HB CYS 32 HB2 CYS 32 21.202 3.421 5.941 221 2HB CYS 32 HB3 CYS 32 19.707 2.532 6.134 222 H LYS 33 H LYS 33 22.910 2.655 3.834 223 HA LYS 33 HA LYS 33 21.003 3.286 1.790 224 1HB LYS 33 HB2 LYS 33 24.038 3.327 1.584 225 2HB LYS 33 HB3 LYS 33 22.901 4.240 0.603 226 1HG LYS 33 HG2 LYS 33 23.353 4.640 3.597 227 2HG LYS 33 HG3 LYS 33 24.091 5.591 2.317 228 1HD LYS 33 HD2 LYS 33 21.963 6.526 1.653 229 2HD LYS 33 HD3 LYS 33 21.070 5.411 2.688 230 1HE LYS 33 HE2 LYS 33 21.228 7.721 3.649 231 2HE LYS 33 HE3 LYS 33 21.861 6.448 4.700 232 1HZ LYS 33 HZ1 LYS 33 23.616 8.112 2.995 233 2HZ LYS 33 HZ2 LYS 33 23.249 8.459 4.558 234 3HZ LYS 33 HZ3 LYS 33 24.045 7.082 4.230 235 H MET 34 H MET 34 23.099 0.497 2.362 236 HA MET 34 HA MET 34 23.091 -0.443 -0.354 237 1HB MET 34 HB2 MET 34 23.428 -2.086 2.179 238 2HB MET 34 HB3 MET 34 23.905 -2.538 0.544 239 1HG MET 34 HG2 MET 34 25.520 -0.603 0.547 240 2HG MET 34 HG3 MET 34 25.121 -0.331 2.241 241 1HE MET 34 HE1 MET 34 25.225 -2.486 4.011 242 2HE MET 34 HE2 MET 34 24.887 -3.825 2.896 243 3HE MET 34 HE3 MET 34 26.400 -3.808 3.820 244 H ILE 35 H ILE 35 21.093 -1.095 2.562 245 HA ILE 35 HA ILE 35 19.528 -3.040 1.105 246 HB ILE 35 HB ILE 35 20.172 -3.370 3.443 247 1HG1 ILE 35 HG12 ILE 35 17.172 -3.398 2.970 248 2HG1 ILE 35 HG13 ILE 35 18.323 -4.605 2.390 249 1HG2 ILE 35 HG21 ILE 35 19.908 -1.091 4.293 250 2HG2 ILE 35 HG22 ILE 35 18.138 -1.214 4.125 251 3HG2 ILE 35 HG23 ILE 35 19.020 -2.239 5.279 252 1HD1 ILE 35 HD11 ILE 35 18.909 -5.051 4.828 253 2HD1 ILE 35 HD12 ILE 35 17.550 -3.995 5.271 254 3HD1 ILE 35 HD13 ILE 35 17.259 -5.476 4.347 255 H ALA 36 H ALA 36 19.154 0.413 1.794 256 HA ALA 36 HA ALA 36 16.458 0.767 1.605 257 1HB ALA 36 HB1 ALA 36 16.933 2.990 0.636 258 2HB ALA 36 HB2 ALA 36 17.991 2.588 2.000 259 3HB ALA 36 HB3 ALA 36 18.614 2.499 0.340 260 HA PRO 37 HA PRO 37 16.157 0.596 -3.141 261 1HB PRO 37 HB2 PRO 37 18.068 -0.720 -4.640 262 2HB PRO 37 HB3 PRO 37 18.069 1.042 -4.323 263 1HG PRO 37 HG2 PRO 37 19.590 -1.120 -2.838 264 2HG PRO 37 HG3 PRO 37 20.209 0.446 -3.455 265 1HD PRO 37 HD2 PRO 37 19.501 0.161 -0.874 266 2HD PRO 37 HD3 PRO 37 19.100 1.660 -1.753 267 H VAL 38 H VAL 38 17.648 -2.085 -1.350 268 HA VAL 38 HA VAL 38 16.255 -4.149 -2.775 269 HB VAL 38 HB VAL 38 17.279 -4.368 0.073 270 1HG1 VAL 38 HG11 VAL 38 15.962 -6.264 -0.847 271 2HG1 VAL 38 HG12 VAL 38 17.087 -6.388 -2.217 272 3HG1 VAL 38 HG13 VAL 38 17.646 -6.701 -0.545 273 1HG2 VAL 38 HG21 VAL 38 19.163 -3.447 -1.230 274 2HG2 VAL 38 HG22 VAL 38 19.439 -5.140 -0.847 275 3HG2 VAL 38 HG23 VAL 38 18.919 -4.678 -2.485 276 H LEU 39 H LEU 39 15.548 -2.147 0.157 277 HA LEU 39 HA LEU 39 13.046 -3.408 0.705 278 1HB LEU 39 HB2 LEU 39 14.123 -0.644 1.363 279 2HB LEU 39 HB3 LEU 39 12.549 -1.205 1.912 280 HG LEU 39 HG LEU 39 15.091 -2.754 2.476 281 1HD1 LEU 39 HD11 LEU 39 15.124 -1.706 4.712 282 2HD1 LEU 39 HD12 LEU 39 15.364 -0.520 3.421 283 3HD1 LEU 39 HD13 LEU 39 13.785 -0.637 4.230 284 1HD2 LEU 39 HD21 LEU 39 13.788 -3.765 4.301 285 2HD2 LEU 39 HD22 LEU 39 12.383 -2.759 3.887 286 3HD2 LEU 39 HD23 LEU 39 12.951 -4.008 2.764 287 H GLU 40 H GLU 40 13.919 -0.651 -1.443 288 HA GLU 40 HA GLU 40 11.240 -0.164 -2.287 289 1HB GLU 40 HB2 GLU 40 13.852 0.198 -3.793 290 2HB GLU 40 HB3 GLU 40 12.275 0.687 -4.413 291 1HG GLU 40 HG2 GLU 40 11.937 2.157 -2.452 292 2HG GLU 40 HG3 GLU 40 13.524 1.710 -1.829 293 H GLU 41 H GLU 41 13.636 -2.534 -3.517 294 HA GLU 41 HA GLU 41 11.878 -3.599 -5.496 295 1HB GLU 41 HB2 GLU 41 14.323 -4.734 -4.102 296 2HB GLU 41 HB3 GLU 41 13.404 -5.641 -5.311 297 1HG GLU 41 HG2 GLU 41 13.742 -3.855 -6.970 298 2HG GLU 41 HG3 GLU 41 14.637 -2.892 -5.802 299 H LEU 42 H LEU 42 12.343 -4.414 -2.060 300 HA LEU 42 HA LEU 42 10.575 -6.630 -1.982 301 1HB LEU 42 HB2 LEU 42 12.149 -5.989 -0.131 302 2HB LEU 42 HB3 LEU 42 11.148 -4.578 0.202 303 HG LEU 42 HG LEU 42 9.204 -6.118 0.694 304 1HD1 LEU 42 HD11 LEU 42 11.367 -8.260 0.486 305 2HD1 LEU 42 HD12 LEU 42 9.757 -8.501 1.194 306 3HD1 LEU 42 HD13 LEU 42 9.911 -8.115 -0.525 307 1HD2 LEU 42 HD21 LEU 42 10.133 -6.845 2.911 308 2HD2 LEU 42 HD22 LEU 42 11.736 -6.312 2.352 309 3HD2 LEU 42 HD23 LEU 42 10.421 -5.145 2.510 310 H ASP 43 H ASP 43 9.981 -3.102 -1.556 311 HA ASP 43 HA ASP 43 7.233 -3.263 -0.973 312 1HB ASP 43 HB2 ASP 43 8.687 -1.189 -0.856 313 2HB ASP 43 HB3 ASP 43 8.586 -1.088 -2.625 314 H GLN 44 H GLN 44 8.944 -3.099 -4.085 315 HA GLN 44 HA GLN 44 6.553 -3.050 -5.667 316 1HB GLN 44 HB2 GLN 44 9.464 -3.603 -6.319 317 2HB GLN 44 HB3 GLN 44 8.198 -3.512 -7.551 318 1HG GLN 44 HG2 GLN 44 7.682 -1.223 -7.022 319 2HG GLN 44 HG3 GLN 44 8.665 -1.241 -5.560 320 1HE2 GLN 44 HE22 GLN 44 10.968 -1.318 -5.744 321 2HE2 GLN 44 HE21 GLN 44 11.794 -0.782 -7.208 322 H GLU 45 H GLU 45 8.006 -5.652 -3.971 323 HA GLU 45 HA GLU 45 6.826 -7.730 -5.729 324 1HB GLU 45 HB2 GLU 45 8.901 -7.730 -3.506 325 2HB GLU 45 HB3 GLU 45 8.195 -9.218 -4.134 326 1HG GLU 45 HG2 GLU 45 9.596 -7.178 -5.905 327 2HG GLU 45 HG3 GLU 45 10.424 -8.532 -5.140 328 H MET 46 H MET 46 6.635 -6.351 -2.468 329 HA MET 46 HA MET 46 4.501 -8.328 -1.790 330 1HB MET 46 HB2 MET 46 6.492 -6.954 0.050 331 2HB MET 46 HB3 MET 46 5.342 -8.215 0.483 332 1HG MET 46 HG2 MET 46 7.750 -8.476 -1.369 333 2HG MET 46 HG3 MET 46 7.601 -9.144 0.246 334 1HE MET 46 HE1 MET 46 5.377 -12.209 -0.123 335 2HE MET 46 HE2 MET 46 6.623 -11.366 0.825 336 3HE MET 46 HE3 MET 46 5.016 -10.608 0.574 337 H GLY 47 H GLY 47 4.887 -4.977 -2.361 338 1HA GLY 47 HA2 GLY 47 3.626 -3.745 -0.230 339 2HA GLY 47 HA3 GLY 47 3.586 -3.181 -1.906 340 H ASP 48 H ASP 48 2.073 -5.931 -2.381 341 HA ASP 48 HA ASP 48 -0.623 -4.924 -2.277 342 1HB ASP 48 HB2 ASP 48 0.111 -6.498 -4.001 343 2HB ASP 48 HB3 ASP 48 0.508 -7.702 -2.772 344 H LYS 49 H LYS 49 1.422 -6.841 -0.153 345 HA LYS 49 HA LYS 49 -0.778 -7.167 1.846 346 1HB LYS 49 HB2 LYS 49 1.735 -8.827 1.307 347 2HB LYS 49 HB3 LYS 49 0.620 -9.115 2.630 348 1HG LYS 49 HG2 LYS 49 -0.260 -9.250 -0.288 349 2HG LYS 49 HG3 LYS 49 0.483 -10.597 0.556 350 1HD LYS 49 HD2 LYS 49 -1.756 -11.102 0.808 351 2HD LYS 49 HD3 LYS 49 -1.335 -10.374 2.342 352 1HE LYS 49 HE2 LYS 49 -3.408 -9.440 1.862 353 2HE LYS 49 HE3 LYS 49 -2.301 -8.162 1.375 354 1HZ LYS 49 HZ1 LYS 49 -4.007 -8.520 -0.269 355 2HZ LYS 49 HZ2 LYS 49 -2.574 -8.921 -0.941 356 3HZ LYS 49 HZ3 LYS 49 -3.613 -10.091 -0.447 357 H LEU 50 H LEU 50 2.416 -5.874 1.213 358 HA LEU 50 HA LEU 50 2.981 -5.626 4.097 359 1HB LEU 50 HB2 LEU 50 4.517 -6.805 2.486 360 2HB LEU 50 HB3 LEU 50 4.731 -5.279 1.628 361 HG LEU 50 HG LEU 50 5.822 -4.295 3.625 362 1HD1 LEU 50 HD11 LEU 50 4.750 -5.583 5.435 363 2HD1 LEU 50 HD12 LEU 50 5.463 -7.086 4.814 364 3HD1 LEU 50 HD13 LEU 50 6.490 -5.807 5.489 365 1HD2 LEU 50 HD21 LEU 50 7.888 -5.630 3.507 366 2HD2 LEU 50 HD22 LEU 50 6.995 -6.922 2.669 367 3HD2 LEU 50 HD23 LEU 50 7.183 -5.326 1.913 368 H LYS 51 H LYS 51 3.943 -3.698 4.925 369 HA LYS 51 HA LYS 51 3.851 -1.217 3.324 370 1HB LYS 51 HB2 LYS 51 1.852 -1.154 4.856 371 2HB LYS 51 HB3 LYS 51 2.910 -1.521 6.220 372 1HG LYS 51 HG2 LYS 51 4.194 0.646 5.624 373 2HG LYS 51 HG3 LYS 51 2.859 1.017 4.538 374 1HD LYS 51 HD2 LYS 51 2.645 0.529 7.547 375 2HD LYS 51 HD3 LYS 51 2.757 2.114 6.780 376 1HE LYS 51 HE2 LYS 51 0.642 1.663 5.541 377 2HE LYS 51 HE3 LYS 51 0.495 0.103 6.376 378 1HZ LYS 51 HZ1 LYS 51 0.419 1.317 8.463 379 2HZ LYS 51 HZ2 LYS 51 0.567 2.762 7.689 380 3HZ LYS 51 HZ3 LYS 51 -0.787 1.856 7.476 381 H ILE 52 H ILE 52 5.761 0.014 3.831 382 HA ILE 52 HA ILE 52 7.660 -1.317 5.709 383 HB ILE 52 HB ILE 52 8.251 0.013 3.053 384 1HG1 ILE 52 HG12 ILE 52 8.606 -2.871 3.989 385 2HG1 ILE 52 HG13 ILE 52 7.402 -2.289 2.839 386 1HG2 ILE 52 HG21 ILE 52 10.632 -0.443 3.479 387 2HG2 ILE 52 HG22 ILE 52 9.991 0.605 4.728 388 3HG2 ILE 52 HG23 ILE 52 10.236 -1.124 5.072 389 1HD1 ILE 52 HD11 ILE 52 9.305 -1.548 1.336 390 2HD1 ILE 52 HD12 ILE 52 10.390 -2.470 2.401 391 3HD1 ILE 52 HD13 ILE 52 9.086 -3.297 1.538 392 H VAL 53 H VAL 53 8.640 0.141 7.182 393 HA VAL 53 HA VAL 53 7.635 2.969 7.044 394 HB VAL 53 HB VAL 53 7.411 1.028 9.378 395 1HG1 VAL 53 HG11 VAL 53 6.363 2.937 10.602 396 2HG1 VAL 53 HG12 VAL 53 8.064 3.248 10.261 397 3HG1 VAL 53 HG13 VAL 53 6.813 4.026 9.268 398 1HG2 VAL 53 HG21 VAL 53 5.598 0.838 7.708 399 2HG2 VAL 53 HG22 VAL 53 5.010 1.529 9.224 400 3HG2 VAL 53 HG23 VAL 53 5.296 2.581 7.825 401 H LYS 54 H LYS 54 9.544 4.026 6.612 402 HA LYS 54 HA LYS 54 12.019 3.194 7.997 403 1HB LYS 54 HB2 LYS 54 11.497 5.654 6.270 404 2HB LYS 54 HB3 LYS 54 13.070 5.100 6.870 405 1HG LYS 54 HG2 LYS 54 12.683 2.912 5.651 406 2HG LYS 54 HG3 LYS 54 11.276 3.643 4.881 407 1HD LYS 54 HD2 LYS 54 14.142 4.669 4.679 408 2HD LYS 54 HD3 LYS 54 13.316 3.672 3.472 409 1HE LYS 54 HE2 LYS 54 11.590 5.458 3.191 410 2HE LYS 54 HE3 LYS 54 12.474 6.472 4.340 411 1HZ LYS 54 HZ1 LYS 54 13.036 7.026 2.055 412 2HZ LYS 54 HZ2 LYS 54 14.361 6.451 2.808 413 3HZ LYS 54 HZ3 LYS 54 13.546 5.512 1.746 414 H ILE 55 H ILE 55 12.849 4.199 9.852 415 HA ILE 55 HA ILE 55 11.526 6.642 10.822 416 HB ILE 55 HB ILE 55 10.185 4.990 11.852 417 1HG1 ILE 55 HG12 ILE 55 12.129 5.954 13.983 418 2HG1 ILE 55 HG13 ILE 55 11.003 7.019 13.138 419 1HG2 ILE 55 HG21 ILE 55 10.983 3.218 13.343 420 2HG2 ILE 55 HG22 ILE 55 11.652 2.995 11.728 421 3HG2 ILE 55 HG23 ILE 55 12.663 3.670 13.024 422 1HD1 ILE 55 HD11 ILE 55 9.087 5.691 13.968 423 2HD1 ILE 55 HD12 ILE 55 10.210 4.650 14.879 424 3HD1 ILE 55 HD13 ILE 55 10.061 6.365 15.282 425 H ASP 56 H ASP 56 12.920 8.051 11.547 426 HA ASP 56 HA ASP 56 15.758 7.466 11.264 427 1HB ASP 56 HB2 ASP 56 14.819 9.448 10.240 428 2HB ASP 56 HB3 ASP 56 14.260 10.040 11.807 429 H VAL 57 H VAL 57 16.722 6.524 13.040 430 HA VAL 57 HA VAL 57 15.629 6.639 15.648 431 HB VAL 57 HB VAL 57 17.658 5.547 16.406 432 1HG1 VAL 57 HG11 VAL 57 16.823 4.427 13.699 433 2HG1 VAL 57 HG12 VAL 57 17.478 3.535 15.090 434 3HG1 VAL 57 HG13 VAL 57 15.880 4.300 15.194 435 1HG2 VAL 57 HG21 VAL 57 19.399 6.744 15.105 436 2HG2 VAL 57 HG22 VAL 57 19.526 4.991 14.927 437 3HG2 VAL 57 HG23 VAL 57 18.823 5.958 13.621 438 H ASP 58 H ASP 58 17.716 8.972 14.031 439 HA ASP 58 HA ASP 58 19.005 9.993 16.385 440 1HB ASP 58 HB2 ASP 58 19.813 10.362 14.066 441 2HB ASP 58 HB3 ASP 58 18.406 11.387 13.754 442 H GLU 59 H GLU 59 15.773 10.339 15.185 443 HA GLU 59 HA GLU 59 15.217 12.539 17.140 444 1HB GLU 59 HB2 GLU 59 13.864 11.885 14.494 445 2HB GLU 59 HB3 GLU 59 13.317 13.113 15.644 446 1HG GLU 59 HG2 GLU 59 15.588 14.228 15.413 447 2HG GLU 59 HG3 GLU 59 15.916 13.133 14.066 448 H ASN 60 H ASN 60 15.053 9.293 16.926 449 HA ASN 60 HA ASN 60 12.403 9.058 18.269 450 1HB ASN 60 HB2 ASN 60 13.266 7.446 15.836 451 2HB ASN 60 HB3 ASN 60 11.876 7.085 16.852 452 1HD2 ASN 60 HD22 ASN 60 13.033 9.115 14.276 453 2HD2 ASN 60 HD21 ASN 60 11.550 10.028 14.056 454 H GLN 61 H GLN 61 14.901 9.128 19.470 455 HA GLN 61 HA GLN 61 16.150 6.652 19.942 456 1HB GLN 61 HB2 GLN 61 15.762 9.094 21.720 457 2HB GLN 61 HB3 GLN 61 16.782 7.730 22.169 458 1HG GLN 61 HG2 GLN 61 17.189 9.366 19.629 459 2HG GLN 61 HG3 GLN 61 18.012 9.681 21.153 460 1HE2 GLN 61 HE22 GLN 61 17.988 7.721 18.289 461 2HE2 GLN 61 HE21 GLN 61 19.353 6.694 18.714 462 H GLU 62 H GLU 62 13.126 7.990 21.320 463 HA GLU 62 HA GLU 62 12.877 6.085 23.415 464 1HB GLU 62 HB2 GLU 62 10.779 7.710 21.912 465 2HB GLU 62 HB3 GLU 62 10.448 6.734 23.352 466 1HG GLU 62 HG2 GLU 62 12.128 8.063 24.631 467 2HG GLU 62 HG3 GLU 62 12.393 9.079 23.215 468 H THR 63 H THR 63 11.564 6.061 20.014 469 HA THR 63 HA THR 63 10.247 3.568 20.333 470 HB THR 63 HB THR 63 11.290 4.465 17.700 471 HG1 THR 63 HG1 THR 63 9.332 5.902 19.169 472 1HG2 THR 63 HG21 THR 63 9.707 2.600 17.762 473 2HG2 THR 63 HG22 THR 63 8.496 3.633 18.551 474 3HG2 THR 63 HG23 THR 63 9.035 3.977 16.888 475 H ALA 64 H ALA 64 13.515 4.481 19.117 476 HA ALA 64 HA ALA 64 14.403 1.865 18.444 477 1HB ALA 64 HB1 ALA 64 15.939 4.271 19.560 478 2HB ALA 64 HB2 ALA 64 16.694 2.858 18.824 479 3HB ALA 64 HB3 ALA 64 15.656 3.911 17.844 480 H GLY 65 H GLY 65 14.592 3.633 21.575 481 1HA GLY 65 HA2 GLY 65 15.778 1.598 23.119 482 2HA GLY 65 HA3 GLY 65 14.731 2.900 23.714 483 H LYS 66 H LYS 66 12.406 1.995 22.053 484 HA LYS 66 HA LYS 66 11.087 0.375 23.891 485 1HB LYS 66 HB2 LYS 66 10.167 1.872 21.946 486 2HB LYS 66 HB3 LYS 66 10.440 0.480 20.921 487 1HG LYS 66 HG2 LYS 66 8.137 0.538 21.535 488 2HG LYS 66 HG3 LYS 66 8.877 -0.878 22.282 489 1HD LYS 66 HD2 LYS 66 8.961 0.292 24.463 490 2HD LYS 66 HD3 LYS 66 8.331 1.772 23.704 491 1HE LYS 66 HE2 LYS 66 6.256 0.550 23.079 492 2HE LYS 66 HE3 LYS 66 6.891 -0.919 23.831 493 1HZ LYS 66 HZ1 LYS 66 5.389 0.253 25.308 494 2HZ LYS 66 HZ2 LYS 66 6.880 0.246 25.962 495 3HZ LYS 66 HZ3 LYS 66 6.294 1.605 25.266 496 H TYR 67 H TYR 67 13.117 -0.596 21.142 497 HA TYR 67 HA TYR 67 12.667 -3.454 21.912 498 1HB TYR 67 HB2 TYR 67 13.603 -2.681 19.180 499 2HB TYR 67 HB3 TYR 67 12.709 -4.101 19.695 500 HD1 TYR 67 HD1 TYR 67 10.201 -3.737 20.388 501 HD2 TYR 67 HD2 TYR 67 12.549 -0.767 18.319 502 HE1 TYR 67 HE1 TYR 67 8.131 -2.499 19.803 503 HE2 TYR 67 HE2 TYR 67 10.539 0.491 17.794 504 HH TYR 67 HH TYR 67 8.183 0.592 17.983 505 H GLY 68 H GLY 68 14.815 -1.193 22.595 506 1HA GLY 68 HA2 GLY 68 17.039 -1.132 23.068 507 2HA GLY 68 HA3 GLY 68 17.055 -2.900 22.949 508 H VAL 69 H VAL 69 16.169 -0.706 20.253 509 HA VAL 69 HA VAL 69 18.127 -1.842 18.451 510 HB VAL 69 HB VAL 69 16.515 0.735 18.249 511 1HG1 VAL 69 HG11 VAL 69 18.387 0.793 16.696 512 2HG1 VAL 69 HG12 VAL 69 18.025 -0.849 16.141 513 3HG1 VAL 69 HG13 VAL 69 16.901 0.484 15.797 514 1HG2 VAL 69 HG21 VAL 69 14.964 -1.098 18.430 515 2HG2 VAL 69 HG22 VAL 69 15.005 -0.594 16.747 516 3HG2 VAL 69 HG23 VAL 69 15.870 -2.064 17.248 517 H MET 70 H MET 70 20.212 -1.446 18.509 518 HA MET 70 HA MET 70 21.297 1.007 19.815 519 1HB MET 70 HB2 MET 70 22.985 -0.428 20.760 520 2HB MET 70 HB3 MET 70 21.360 -1.004 21.184 521 1HG MET 70 HG2 MET 70 21.556 -2.777 19.452 522 2HG MET 70 HG3 MET 70 23.172 -2.191 19.052 523 1HE MET 70 HE1 MET 70 20.917 -4.168 21.524 524 2HE MET 70 HE2 MET 70 21.984 -4.467 22.913 525 3HE MET 70 HE3 MET 70 21.372 -2.830 22.605 526 H SER 71 H SER 71 21.206 -0.823 17.025 527 HA SER 71 HA SER 71 23.404 0.623 15.747 528 1HB SER 71 HB2 SER 71 22.971 -2.389 15.467 529 2HB SER 71 HB3 SER 71 24.199 -1.425 14.633 530 HG SER 71 HG SER 71 25.048 -2.517 16.453 531 H ILE 72 H ILE 72 23.136 0.402 13.284 532 HA ILE 72 HA ILE 72 20.439 -0.265 12.400 533 HB ILE 72 HB ILE 72 20.247 1.880 11.158 534 1HG1 ILE 72 HG12 ILE 72 22.402 2.960 13.029 535 2HG1 ILE 72 HG13 ILE 72 22.662 2.582 11.324 536 1HG2 ILE 72 HG21 ILE 72 20.272 2.322 14.166 537 2HG2 ILE 72 HG22 ILE 72 19.221 3.090 12.962 538 3HG2 ILE 72 HG23 ILE 72 19.039 1.374 13.316 539 1HD1 ILE 72 HD11 ILE 72 20.906 4.217 10.696 540 2HD1 ILE 72 HD12 ILE 72 20.742 4.690 12.401 541 3HD1 ILE 72 HD13 ILE 72 22.271 4.960 11.548 542 HA PRO 73 HA PRO 73 19.485 0.206 9.995 543 1HB PRO 73 HB2 PRO 73 18.919 -1.749 8.172 544 2HB PRO 73 HB3 PRO 73 19.640 -0.178 7.726 545 1HG PRO 73 HG2 PRO 73 21.044 -2.825 8.170 546 2HG PRO 73 HG3 PRO 73 21.280 -1.662 6.830 547 1HD PRO 73 HD2 PRO 73 22.935 -1.746 9.010 548 2HD PRO 73 HD3 PRO 73 22.533 -0.208 8.194 549 H THR 74 H THR 74 17.850 -0.715 11.167 550 HA THR 74 HA THR 74 18.094 -3.586 11.931 551 HB THR 74 HB THR 74 17.587 -1.236 13.788 552 HG1 THR 74 HG1 THR 74 19.565 -1.655 14.293 553 1HG2 THR 74 HG21 THR 74 17.090 -4.213 14.234 554 2HG2 THR 74 HG22 THR 74 17.322 -3.056 15.558 555 3HG2 THR 74 HG23 THR 74 15.955 -2.868 14.453 556 H LEU 75 H LEU 75 16.161 -4.671 11.930 557 HA LEU 75 HA LEU 75 13.950 -3.225 10.571 558 1HB LEU 75 HB2 LEU 75 14.927 -6.065 10.156 559 2HB LEU 75 HB3 LEU 75 13.559 -5.320 9.346 560 HG LEU 75 HG LEU 75 16.491 -4.522 9.043 561 1HD1 LEU 75 HD11 LEU 75 16.275 -5.443 6.780 562 2HD1 LEU 75 HD12 LEU 75 15.906 -6.678 7.990 563 3HD1 LEU 75 HD13 LEU 75 14.586 -5.892 7.097 564 1HD2 LEU 75 HD21 LEU 75 14.035 -3.366 7.663 565 2HD2 LEU 75 HD22 LEU 75 15.178 -2.526 8.727 566 3HD2 LEU 75 HD23 LEU 75 15.715 -3.096 7.149 567 H LEU 76 H LEU 76 12.010 -3.423 11.587 568 HA LEU 76 HA LEU 76 11.681 -5.552 13.695 569 1HB LEU 76 HB2 LEU 76 10.882 -2.618 13.707 570 2HB LEU 76 HB3 LEU 76 9.936 -3.803 14.573 571 HG LEU 76 HG LEU 76 11.518 -2.529 16.007 572 1HD1 LEU 76 HD11 LEU 76 10.660 -4.698 16.733 573 2HD1 LEU 76 HD12 LEU 76 11.952 -5.554 15.876 574 3HD1 LEU 76 HD13 LEU 76 12.339 -4.511 17.256 575 1HD2 LEU 76 HD21 LEU 76 13.400 -2.447 14.337 576 2HD2 LEU 76 HD22 LEU 76 13.861 -2.907 15.989 577 3HD2 LEU 76 HD23 LEU 76 13.742 -4.142 14.724 578 H VAL 77 H VAL 77 10.141 -6.923 13.056 579 HA VAL 77 HA VAL 77 8.321 -6.070 10.851 580 HB VAL 77 HB VAL 77 8.560 -8.884 11.933 581 1HG1 VAL 77 HG11 VAL 77 7.686 -7.745 9.237 582 2HG1 VAL 77 HG12 VAL 77 7.655 -9.456 9.710 583 3HG1 VAL 77 HG13 VAL 77 6.601 -8.294 10.529 584 1HG2 VAL 77 HG21 VAL 77 10.048 -9.466 10.061 585 2HG2 VAL 77 HG22 VAL 77 10.230 -7.746 9.651 586 3HG2 VAL 77 HG23 VAL 77 10.850 -8.379 11.192 587 H LEU 78 H LEU 78 6.314 -5.509 11.548 588 HA LEU 78 HA LEU 78 5.435 -6.411 14.240 589 1HB LEU 78 HB2 LEU 78 4.869 -3.733 12.885 590 2HB LEU 78 HB3 LEU 78 4.006 -4.366 14.278 591 HG LEU 78 HG LEU 78 6.481 -4.580 15.293 592 1HD1 LEU 78 HD11 LEU 78 7.686 -3.733 13.346 593 2HD1 LEU 78 HD12 LEU 78 6.750 -2.237 13.377 594 3HD1 LEU 78 HD13 LEU 78 7.856 -2.625 14.710 595 1HD2 LEU 78 HD21 LEU 78 5.004 -1.936 15.268 596 2HD2 LEU 78 HD22 LEU 78 4.594 -3.326 16.289 597 3HD2 LEU 78 HD23 LEU 78 6.152 -2.521 16.487 598 H LYS 79 H LYS 79 3.178 -6.872 14.355 599 HA LYS 79 HA LYS 79 1.735 -6.943 11.783 600 1HB LYS 79 HB2 LYS 79 2.687 -9.199 12.055 601 2HB LYS 79 HB3 LYS 79 1.897 -9.360 13.639 602 1HG LYS 79 HG2 LYS 79 -0.304 -9.148 12.552 603 2HG LYS 79 HG3 LYS 79 0.489 -8.849 10.987 604 1HD LYS 79 HD2 LYS 79 1.452 -11.119 11.036 605 2HD LYS 79 HD3 LYS 79 0.652 -11.436 12.591 606 1HE LYS 79 HE2 LYS 79 -1.554 -11.123 11.560 607 2HE LYS 79 HE3 LYS 79 -0.812 -10.635 10.031 608 1HZ LYS 79 HZ1 LYS 79 -0.550 -13.331 11.227 609 2HZ LYS 79 HZ2 LYS 79 -1.539 -12.938 9.992 610 3HZ LYS 79 HZ3 LYS 79 0.079 -12.850 9.782 611 H ASP 80 H ASP 80 -0.049 -5.854 12.099 612 HA ASP 80 HA ASP 80 -1.767 -4.777 13.053 613 1HB ASP 80 HB2 ASP 80 -2.612 -7.083 12.954 614 2HB ASP 80 HB3 ASP 80 -2.072 -7.361 14.611 615 H GLY 81 H GLY 81 0.661 -4.025 14.154 616 1HA GLY 81 HA2 GLY 81 0.936 -2.233 15.569 617 2HA GLY 81 HA3 GLY 81 -0.363 -2.800 16.612 618 H GLU 82 H GLU 82 1.613 -5.530 16.313 619 HA GLU 82 HA GLU 82 3.423 -4.650 18.503 620 1HB GLU 82 HB2 GLU 82 2.888 -6.578 19.746 621 2HB GLU 82 HB3 GLU 82 1.359 -5.832 19.250 622 1HG GLU 82 HG2 GLU 82 1.086 -7.523 17.476 623 2HG GLU 82 HG3 GLU 82 2.611 -8.283 17.945 624 H VAL 83 H VAL 83 5.423 -5.868 18.669 625 HA VAL 83 HA VAL 83 6.586 -6.461 16.115 626 HB VAL 83 HB VAL 83 7.660 -7.114 18.880 627 1HG1 VAL 83 HG11 VAL 83 9.052 -6.782 16.170 628 2HG1 VAL 83 HG12 VAL 83 9.874 -6.996 17.730 629 3HG1 VAL 83 HG13 VAL 83 8.878 -8.296 17.082 630 1HG2 VAL 83 HG21 VAL 83 8.047 -4.619 17.156 631 2HG2 VAL 83 HG22 VAL 83 7.199 -4.691 18.718 632 3HG2 VAL 83 HG23 VAL 83 8.933 -4.999 18.645 633 H VAL 84 H VAL 84 6.733 -8.205 15.019 634 HA VAL 84 HA VAL 84 5.932 -10.797 16.205 635 HB VAL 84 HB VAL 84 4.333 -9.583 14.601 636 1HG1 VAL 84 HG11 VAL 84 5.824 -8.869 12.852 637 2HG1 VAL 84 HG12 VAL 84 6.345 -10.535 12.533 638 3HG1 VAL 84 HG13 VAL 84 4.688 -10.040 12.182 639 1HG2 VAL 84 HG21 VAL 84 3.593 -11.671 13.565 640 2HG2 VAL 84 HG22 VAL 84 5.114 -12.453 14.083 641 3HG2 VAL 84 HG23 VAL 84 3.964 -11.845 15.286 642 H GLU 85 H GLU 85 8.478 -8.985 14.477 643 HA GLU 85 HA GLU 85 10.255 -11.191 15.052 644 1HB GLU 85 HB2 GLU 85 9.147 -11.015 12.361 645 2HB GLU 85 HB3 GLU 85 10.853 -10.658 12.288 646 1HG GLU 85 HG2 GLU 85 9.741 -13.154 13.638 647 2HG GLU 85 HG3 GLU 85 10.198 -13.059 11.943 648 H THR 86 H THR 86 12.575 -10.571 14.367 649 HA THR 86 HA THR 86 12.999 -7.669 13.962 650 HB THR 86 HB THR 86 14.431 -9.277 16.106 651 HG1 THR 86 HG1 THR 86 12.266 -8.986 16.696 652 1HG2 THR 86 HG21 THR 86 15.744 -7.355 15.387 653 2HG2 THR 86 HG22 THR 86 14.333 -6.286 15.519 654 3HG2 THR 86 HG23 THR 86 15.059 -7.000 16.975 655 H SER 87 H SER 87 15.048 -7.253 12.915 656 HA SER 87 HA SER 87 17.012 -9.390 12.611 657 1HB SER 87 HB2 SER 87 15.547 -8.162 10.235 658 2HB SER 87 HB3 SER 87 17.110 -8.988 10.100 659 HG SER 87 HG SER 87 15.133 -10.325 11.509 660 H VAL 88 H VAL 88 19.096 -8.462 11.857 661 HA VAL 88 HA VAL 88 19.277 -5.500 12.029 662 HB VAL 88 HB VAL 88 21.045 -7.474 13.515 663 1HG1 VAL 88 HG11 VAL 88 21.962 -5.430 14.621 664 2HG1 VAL 88 HG12 VAL 88 22.286 -5.458 12.888 665 3HG1 VAL 88 HG13 VAL 88 20.989 -4.425 13.527 666 1HG2 VAL 88 HG21 VAL 88 18.874 -7.379 14.659 667 2HG2 VAL 88 HG22 VAL 88 20.088 -6.519 15.602 668 3HG2 VAL 88 HG23 VAL 88 18.918 -5.602 14.632 669 H GLY 89 H GLY 89 20.858 -4.646 10.655 670 1HA GLY 89 HA2 GLY 89 22.625 -4.616 9.169 671 2HA GLY 89 HA3 GLY 89 22.868 -6.351 9.389 672 H PHE 90 H PHE 90 23.208 -5.956 6.969 673 HA PHE 90 HA PHE 90 21.033 -5.412 5.219 674 1HB PHE 90 HB2 PHE 90 23.427 -5.213 4.627 675 2HB PHE 90 HB3 PHE 90 23.618 -6.956 4.763 676 HD1 PHE 90 HD1 PHE 90 22.214 -4.201 2.729 677 HD2 PHE 90 HD2 PHE 90 22.785 -8.469 3.008 678 HE1 PHE 90 HE1 PHE 90 21.549 -4.451 0.348 679 HE2 PHE 90 HE2 PHE 90 22.114 -8.710 0.631 680 HZ PHE 90 HZ PHE 90 21.490 -6.704 -0.700 681 H LYS 91 H LYS 91 19.761 -6.827 3.949 682 HA LYS 91 HA LYS 91 19.989 -9.723 4.219 683 1HB LYS 91 HB2 LYS 91 17.547 -8.176 5.102 684 2HB LYS 91 HB3 LYS 91 17.349 -9.701 4.229 685 1HG LYS 91 HG2 LYS 91 18.857 -10.824 5.882 686 2HG LYS 91 HG3 LYS 91 18.841 -9.323 6.847 687 1HD LYS 91 HD2 LYS 91 16.372 -9.471 6.988 688 2HD LYS 91 HD3 LYS 91 16.398 -10.972 6.053 689 1HE LYS 91 HE2 LYS 91 17.767 -10.557 8.755 690 2HE LYS 91 HE3 LYS 91 16.172 -11.275 8.553 691 1HZ LYS 91 HZ1 LYS 91 17.200 -13.082 7.300 692 2HZ LYS 91 HZ2 LYS 91 18.691 -12.420 7.485 693 3HZ LYS 91 HZ3 LYS 91 17.866 -12.960 8.777 694 HA PRO 92 HA PRO 92 19.146 -8.726 -0.120 695 1HB PRO 92 HB2 PRO 92 18.941 -11.254 -1.169 696 2HB PRO 92 HB3 PRO 92 20.501 -10.521 -0.690 697 1HG PRO 92 HG2 PRO 92 18.767 -12.423 0.914 698 2HG PRO 92 HG3 PRO 92 20.532 -12.519 0.616 699 1HD PRO 92 HD2 PRO 92 19.507 -11.448 2.907 700 2HD PRO 92 HD3 PRO 92 20.977 -10.777 2.143 701 H LYS 93 H LYS 93 17.346 -9.002 -1.631 702 HA LYS 93 HA LYS 93 14.815 -8.709 -0.475 703 1HB LYS 93 HB2 LYS 93 13.945 -8.945 -2.807 704 2HB LYS 93 HB3 LYS 93 15.224 -7.762 -2.596 705 1HG LYS 93 HG2 LYS 93 16.866 -9.574 -3.442 706 2HG LYS 93 HG3 LYS 93 15.440 -10.507 -3.903 707 1HD LYS 93 HD2 LYS 93 16.084 -7.663 -4.815 708 2HD LYS 93 HD3 LYS 93 16.489 -9.135 -5.721 709 1HE LYS 93 HE2 LYS 93 13.996 -9.733 -5.672 710 2HE LYS 93 HE3 LYS 93 13.699 -8.095 -5.070 711 1HZ LYS 93 HZ1 LYS 93 14.947 -8.808 -7.661 712 2HZ LYS 93 HZ2 LYS 93 13.472 -8.147 -7.454 713 3HZ LYS 93 HZ3 LYS 93 14.821 -7.272 -7.108 714 H GLU 94 H GLU 94 16.307 -11.721 -1.605 715 HA GLU 94 HA GLU 94 13.909 -13.275 -1.480 716 1HB GLU 94 HB2 GLU 94 16.837 -14.077 -1.183 717 2HB GLU 94 HB3 GLU 94 15.486 -15.216 -1.312 718 1HG GLU 94 HG2 GLU 94 14.881 -14.234 -3.524 719 2HG GLU 94 HG3 GLU 94 16.274 -13.157 -3.421 720 H ALA 95 H ALA 95 16.537 -12.690 0.938 721 HA ALA 95 HA ALA 95 15.368 -14.277 2.990 722 1HB ALA 95 HB1 ALA 95 17.749 -13.592 3.002 723 2HB ALA 95 HB2 ALA 95 17.258 -11.892 3.221 724 3HB ALA 95 HB3 ALA 95 16.927 -13.084 4.489 725 H LEU 96 H LEU 96 15.084 -10.816 2.147 726 HA LEU 96 HA LEU 96 13.429 -10.062 4.324 727 1HB LEU 96 HB2 LEU 96 13.636 -9.007 1.489 728 2HB LEU 96 HB3 LEU 96 12.666 -8.247 2.745 729 HG LEU 96 HG LEU 96 15.681 -8.624 2.937 730 1HD1 LEU 96 HD11 LEU 96 14.100 -6.105 2.290 731 2HD1 LEU 96 HD12 LEU 96 15.864 -6.243 2.467 732 3HD1 LEU 96 HD13 LEU 96 15.049 -7.063 1.135 733 1HD2 LEU 96 HD21 LEU 96 13.717 -7.080 4.682 734 2HD2 LEU 96 HD22 LEU 96 14.692 -8.493 5.157 735 3HD2 LEU 96 HD23 LEU 96 15.484 -6.963 4.794 736 H GLN 97 H GLN 97 12.539 -11.280 1.058 737 HA GLN 97 HA GLN 97 9.733 -11.128 1.528 738 1HB GLN 97 HB2 GLN 97 11.492 -12.757 -0.343 739 2HB GLN 97 HB3 GLN 97 9.776 -13.156 -0.206 740 1HG GLN 97 HG2 GLN 97 9.070 -11.013 -0.895 741 2HG GLN 97 HG3 GLN 97 10.704 -10.335 -0.769 742 1HE2 GLN 97 HE22 GLN 97 12.345 -11.029 -2.241 743 2HE2 GLN 97 HE21 GLN 97 11.917 -11.598 -3.855 744 H GLU 98 H GLU 98 12.109 -13.706 2.235 745 HA GLU 98 HA GLU 98 10.140 -15.569 3.133 746 1HB GLU 98 HB2 GLU 98 13.109 -15.301 3.743 747 2HB GLU 98 HB3 GLU 98 12.105 -16.569 4.456 748 1HG GLU 98 HG2 GLU 98 11.443 -17.340 2.194 749 2HG GLU 98 HG3 GLU 98 12.494 -16.131 1.465 750 H LEU 99 H LEU 99 11.959 -13.025 4.871 751 HA LEU 99 HA LEU 99 11.012 -13.565 7.463 752 1HB LEU 99 HB2 LEU 99 12.968 -12.201 6.920 753 2HB LEU 99 HB3 LEU 99 11.965 -11.042 6.055 754 HG LEU 99 HG LEU 99 10.822 -10.428 8.117 755 1HD1 LEU 99 HD11 LEU 99 11.024 -12.435 9.481 756 2HD1 LEU 99 HD12 LEU 99 12.801 -12.372 9.399 757 3HD1 LEU 99 HD13 LEU 99 11.906 -11.145 10.312 758 1HD2 LEU 99 HD21 LEU 99 12.731 -9.180 9.092 759 2HD2 LEU 99 HD22 LEU 99 13.862 -10.251 8.237 760 3HD2 LEU 99 HD23 LEU 99 12.783 -9.177 7.320 761 H VAL 100 H VAL 100 9.641 -11.464 4.848 762 HA VAL 100 HA VAL 100 7.351 -10.603 6.316 763 HB VAL 100 HB VAL 100 7.847 -11.022 3.340 764 1HG1 VAL 100 HG11 VAL 100 5.546 -9.546 4.671 765 2HG1 VAL 100 HG12 VAL 100 5.965 -9.441 2.945 766 3HG1 VAL 100 HG13 VAL 100 5.441 -10.981 3.631 767 1HG2 VAL 100 HG21 VAL 100 9.267 -9.268 4.583 768 2HG2 VAL 100 HG22 VAL 100 8.375 -8.752 3.163 769 3HG2 VAL 100 HG23 VAL 100 7.766 -8.366 4.801 770 H ASN 101 H ASN 101 7.960 -13.390 4.199 771 HA ASN 101 HA ASN 101 5.350 -14.383 4.037 772 1HB ASN 101 HB2 ASN 101 7.332 -14.905 2.572 773 2HB ASN 101 HB3 ASN 101 7.905 -16.015 3.826 774 1HD2 ASN 101 HD22 ASN 101 5.809 -15.553 1.137 775 2HD2 ASN 101 HD21 ASN 101 5.000 -17.099 1.193 776 H LYS 102 H LYS 102 7.742 -14.856 6.599 777 HA LYS 102 HA LYS 102 6.660 -17.071 7.969 778 1HB LYS 102 HB2 LYS 102 7.801 -14.486 9.103 779 2HB LYS 102 HB3 LYS 102 7.459 -15.923 10.056 780 1HG LYS 102 HG2 LYS 102 9.149 -17.178 8.659 781 2HG LYS 102 HG3 LYS 102 9.578 -15.624 7.911 782 1HD LYS 102 HD2 LYS 102 10.033 -14.689 10.198 783 2HD LYS 102 HD3 LYS 102 9.722 -16.299 10.876 784 1HE LYS 102 HE2 LYS 102 11.570 -17.178 9.359 785 2HE LYS 102 HE3 LYS 102 11.937 -15.502 8.937 786 1HZ LYS 102 HZ1 LYS 102 13.358 -16.241 10.714 787 2HZ LYS 102 HZ2 LYS 102 12.365 -15.106 11.354 788 3HZ LYS 102 HZ3 LYS 102 12.105 -16.696 11.644 789 H HIS 103 H HIS 103 5.299 -13.820 7.623 790 HA HIS 103 HA HIS 103 3.306 -14.424 9.767 791 1HB HIS 103 HB2 HIS 103 4.410 -11.731 8.912 792 2HB HIS 103 HB3 HIS 103 3.385 -12.073 10.307 793 HD1 HIS 103 HD1 HIS 103 4.720 -14.045 12.060 794 HD2 HIS 103 HD2 HIS 103 6.942 -11.634 9.421 795 HE1 HIS 103 HE1 HIS 103 7.130 -14.099 12.886 796 H LEU 104 H LEU 104 3.470 -14.032 6.410 797 HA LEU 104 HA LEU 104 1.049 -12.579 5.931 798 1HB LEU 104 HB2 LEU 104 2.398 -14.781 4.313 799 2HB LEU 104 HB3 LEU 104 1.013 -13.848 3.766 800 HG LEU 104 HG LEU 104 3.776 -12.721 4.370 801 1HD1 LEU 104 HD11 LEU 104 2.287 -13.058 1.734 802 2HD1 LEU 104 HD12 LEU 104 3.908 -12.369 1.956 803 3HD1 LEU 104 HD13 LEU 104 3.622 -14.081 2.300 804 1HD2 LEU 104 HD21 LEU 104 2.159 -10.987 4.887 805 2HD2 LEU 104 HD22 LEU 104 2.878 -10.617 3.321 806 3HD2 LEU 104 HD23 LEU 104 1.249 -11.328 3.396 Start of MODEL 5 1 1H MET 1 H1 MET 1 -0.332 -1.872 1.703 2 2H MET 1 H2 MET 1 0.601 -2.161 0.386 3 3H MET 1 H3 MET 1 1.314 -1.855 1.814 4 HA MET 1 HA MET 1 -0.302 -0.016 0.199 5 1HB MET 1 HB2 MET 1 -0.690 0.357 2.604 6 2HB MET 1 HB3 MET 1 1.034 0.618 2.859 7 1HG MET 1 HG2 MET 1 -0.219 2.727 2.701 8 2HG MET 1 HG3 MET 1 0.970 2.608 1.412 9 1HE MET 1 HE1 MET 1 -1.310 4.776 1.439 10 2HE MET 1 HE2 MET 1 -0.119 4.609 0.128 11 3HE MET 1 HE3 MET 1 -1.852 4.723 -0.254 12 H ALA 2 H ALA 2 2.786 0.894 1.782 13 HA ALA 2 HA ALA 2 4.403 0.636 -0.595 14 1HB ALA 2 HB1 ALA 2 2.903 2.535 -1.255 15 2HB ALA 2 HB2 ALA 2 3.353 3.388 0.239 16 3HB ALA 2 HB3 ALA 2 4.568 3.070 -1.016 17 H ILE 3 H ILE 3 6.415 2.365 -0.038 18 HA ILE 3 HA ILE 3 7.226 1.914 2.745 19 HB ILE 3 HB ILE 3 8.439 3.567 0.500 20 1HG1 ILE 3 HG12 ILE 3 9.893 1.163 1.540 21 2HG1 ILE 3 HG13 ILE 3 8.399 0.784 0.698 22 1HG2 ILE 3 HG21 ILE 3 9.218 4.514 2.616 23 2HG2 ILE 3 HG22 ILE 3 9.607 2.901 3.243 24 3HG2 ILE 3 HG23 ILE 3 10.534 3.594 1.896 25 1HD1 ILE 3 HD11 ILE 3 10.614 2.518 -0.452 26 2HD1 ILE 3 HD12 ILE 3 10.318 0.806 -0.812 27 3HD1 ILE 3 HD13 ILE 3 9.098 2.024 -1.263 28 H VAL 4 H VAL 4 7.141 3.442 4.333 29 HA VAL 4 HA VAL 4 5.858 6.075 3.856 30 HB VAL 4 HB VAL 4 5.248 4.080 6.081 31 1HG1 VAL 4 HG11 VAL 4 3.300 5.557 6.593 32 2HG1 VAL 4 HG12 VAL 4 4.842 6.310 6.923 33 3HG1 VAL 4 HG13 VAL 4 3.939 6.753 5.446 34 1HG2 VAL 4 HG21 VAL 4 2.962 3.899 5.034 35 2HG2 VAL 4 HG22 VAL 4 3.576 4.803 3.635 36 3HG2 VAL 4 HG23 VAL 4 4.241 3.205 4.048 37 H LYS 5 H LYS 5 6.304 7.468 5.799 38 HA LYS 5 HA LYS 5 8.922 6.956 7.142 39 1HB LYS 5 HB2 LYS 5 8.914 8.471 4.988 40 2HB LYS 5 HB3 LYS 5 8.137 9.657 6.046 41 1HG LYS 5 HG2 LYS 5 10.784 8.291 6.671 42 2HG LYS 5 HG3 LYS 5 10.677 9.772 5.731 43 1HD LYS 5 HD2 LYS 5 10.497 11.062 7.540 44 2HD LYS 5 HD3 LYS 5 9.140 10.134 8.179 45 1HE LYS 5 HE2 LYS 5 10.769 8.404 9.000 46 2HE LYS 5 HE3 LYS 5 12.097 9.469 8.475 47 1HZ LYS 5 HZ1 LYS 5 10.186 9.914 10.659 48 2HZ LYS 5 HZ2 LYS 5 11.806 10.039 10.715 49 3HZ LYS 5 HZ3 LYS 5 10.959 11.204 9.964 50 H ALA 6 H ALA 6 8.719 7.407 9.245 51 HA ALA 6 HA ALA 6 6.250 8.725 10.288 52 1HB ALA 6 HB1 ALA 6 7.174 5.909 11.026 53 2HB ALA 6 HB2 ALA 6 5.772 6.761 11.702 54 3HB ALA 6 HB3 ALA 6 5.772 6.292 9.995 55 H THR 7 H THR 7 6.335 8.650 12.786 56 HA THR 7 HA THR 7 9.020 8.691 13.934 57 HB THR 7 HB THR 7 8.383 10.762 15.250 58 HG1 THR 7 HG1 THR 7 6.485 11.023 13.152 59 1HG2 THR 7 HG21 THR 7 9.126 12.378 13.606 60 2HG2 THR 7 HG22 THR 7 10.040 10.875 13.403 61 3HG2 THR 7 HG23 THR 7 8.730 11.278 12.268 62 H ASP 8 H ASP 8 8.693 8.805 16.404 63 HA ASP 8 HA ASP 8 7.146 6.764 17.384 64 1HB ASP 8 HB2 ASP 8 8.999 8.067 18.547 65 2HB ASP 8 HB3 ASP 8 7.811 9.310 18.909 66 H GLN 9 H GLN 9 6.107 10.019 16.703 67 HA GLN 9 HA GLN 9 3.767 10.292 18.227 68 1HB GLN 9 HB2 GLN 9 4.361 11.336 15.424 69 2HB GLN 9 HB3 GLN 9 3.152 11.981 16.532 70 1HG GLN 9 HG2 GLN 9 4.920 12.672 18.111 71 2HG GLN 9 HG3 GLN 9 6.164 12.002 17.048 72 1HE2 GLN 9 HE21 GLN 9 6.212 12.876 14.738 73 2HE2 GLN 9 HE22 GLN 9 5.897 14.592 14.543 74 H SER 10 H SER 10 4.319 8.484 15.235 75 HA SER 10 HA SER 10 1.431 7.717 15.120 76 1HB SER 10 HB2 SER 10 3.132 8.567 12.746 77 2HB SER 10 HB3 SER 10 1.409 8.157 12.740 78 HG SER 10 HG SER 10 1.765 10.420 12.756 79 H PHE 11 H PHE 11 4.667 6.612 15.103 80 HA PHE 11 HA PHE 11 4.783 4.578 13.283 81 1HB PHE 11 HB2 PHE 11 6.596 5.310 14.794 82 2HB PHE 11 HB3 PHE 11 5.779 4.574 16.165 83 HD1 PHE 11 HD1 PHE 11 5.791 2.116 16.468 84 HD2 PHE 11 HD2 PHE 11 7.676 3.960 13.051 85 HE1 PHE 11 HE1 PHE 11 6.986 -0.002 15.972 86 HE2 PHE 11 HE2 PHE 11 8.912 1.875 12.606 87 HZ PHE 11 HZ PHE 11 8.589 -0.117 14.087 88 H SER 12 H SER 12 3.262 4.327 16.559 89 HA SER 12 HA SER 12 2.649 1.602 16.389 90 1HB SER 12 HB2 SER 12 1.035 3.706 17.873 91 2HB SER 12 HB3 SER 12 1.251 2.000 18.304 92 HG SER 12 HG SER 12 2.598 3.399 19.534 93 H ALA 13 H ALA 13 0.811 4.411 15.195 94 HA ALA 13 HA ALA 13 -1.547 2.891 14.543 95 1HB ALA 13 HB1 ALA 13 -2.207 4.892 13.269 96 2HB ALA 13 HB2 ALA 13 -1.638 5.341 14.889 97 3HB ALA 13 HB3 ALA 13 -0.587 5.584 13.471 98 H GLU 14 H GLU 14 1.346 4.008 12.775 99 HA GLU 14 HA GLU 14 0.531 3.040 10.238 100 1HB GLU 14 HB2 GLU 14 3.296 3.604 11.394 101 2HB GLU 14 HB3 GLU 14 3.062 3.066 9.738 102 1HG GLU 14 HG2 GLU 14 1.974 5.629 10.954 103 2HG GLU 14 HG3 GLU 14 3.312 5.481 9.811 104 H THR 15 H THR 15 2.261 1.395 12.899 105 HA THR 15 HA THR 15 2.705 -0.964 11.312 106 HB THR 15 HB THR 15 3.607 -1.827 13.505 107 HG1 THR 15 HG1 THR 15 3.427 0.883 14.290 108 1HG2 THR 15 HG21 THR 15 5.617 -0.359 13.411 109 2HG2 THR 15 HG22 THR 15 5.097 -0.910 11.815 110 3HG2 THR 15 HG23 THR 15 4.752 0.752 12.336 111 H SER 16 H SER 16 -0.151 0.092 12.527 112 HA SER 16 HA SER 16 -1.010 -2.587 13.442 113 1HB SER 16 HB2 SER 16 -2.235 0.157 13.909 114 2HB SER 16 HB3 SER 16 -2.908 -1.381 14.482 115 HG SER 16 HG SER 16 -0.545 -0.059 15.266 116 H GLU 17 H GLU 17 -0.585 -2.023 10.655 117 HA GLU 17 HA GLU 17 -3.340 -2.488 9.636 118 1HB GLU 17 HB2 GLU 17 -1.290 -0.613 8.402 119 2HB GLU 17 HB3 GLU 17 -2.791 -1.152 7.625 120 1HG GLU 17 HG2 GLU 17 -4.055 -0.200 9.616 121 2HG GLU 17 HG3 GLU 17 -2.540 0.563 10.121 122 H GLY 18 H GLY 18 -2.131 -4.651 10.254 123 1HA GLY 18 HA2 GLY 18 -1.942 -6.697 9.105 124 2HA GLY 18 HA3 GLY 18 -1.413 -5.847 7.647 125 H VAL 19 H VAL 19 0.439 -7.195 7.453 126 HA VAL 19 HA VAL 19 2.516 -7.074 9.528 127 HB VAL 19 HB VAL 19 2.568 -8.186 6.694 128 1HG1 VAL 19 HG11 VAL 19 4.805 -9.131 7.404 129 2HG1 VAL 19 HG12 VAL 19 4.833 -7.380 7.228 130 3HG1 VAL 19 HG13 VAL 19 4.731 -8.074 8.842 131 1HG2 VAL 19 HG21 VAL 19 1.282 -9.542 8.341 132 2HG2 VAL 19 HG22 VAL 19 2.793 -10.352 7.901 133 3HG2 VAL 19 HG23 VAL 19 2.658 -9.498 9.460 134 H VAL 20 H VAL 20 4.152 -5.639 9.557 135 HA VAL 20 HA VAL 20 4.482 -3.676 7.377 136 HB VAL 20 HB VAL 20 4.126 -3.018 10.340 137 1HG1 VAL 20 HG11 VAL 20 5.684 -1.445 9.291 138 2HG1 VAL 20 HG12 VAL 20 4.596 -1.236 7.905 139 3HG1 VAL 20 HG13 VAL 20 4.133 -0.635 9.508 140 1HG2 VAL 20 HG21 VAL 20 2.233 -2.666 7.968 141 2HG2 VAL 20 HG22 VAL 20 1.916 -3.465 9.518 142 3HG2 VAL 20 HG23 VAL 20 2.060 -1.718 9.439 143 H LEU 21 H LEU 21 6.688 -2.995 7.259 144 HA LEU 21 HA LEU 21 8.592 -4.453 9.051 145 1HB LEU 21 HB2 LEU 21 8.211 -5.434 6.784 146 2HB LEU 21 HB3 LEU 21 8.896 -3.966 6.072 147 HG LEU 21 HG LEU 21 10.273 -5.939 7.948 148 1HD1 LEU 21 HD11 LEU 21 11.585 -6.578 5.974 149 2HD1 LEU 21 HD12 LEU 21 9.859 -6.807 5.672 150 3HD1 LEU 21 HD13 LEU 21 10.698 -5.397 4.984 151 1HD2 LEU 21 HD21 LEU 21 11.380 -3.420 6.653 152 2HD2 LEU 21 HD22 LEU 21 11.371 -3.869 8.382 153 3HD2 LEU 21 HD23 LEU 21 12.397 -4.745 7.255 154 H ALA 22 H ALA 22 9.298 -2.898 10.359 155 HA ALA 22 HA ALA 22 9.482 -0.111 9.486 156 1HB ALA 22 HB1 ALA 22 10.182 0.218 11.869 157 2HB ALA 22 HB2 ALA 22 8.576 -0.540 11.699 158 3HB ALA 22 HB3 ALA 22 9.999 -1.524 12.128 159 H ASP 23 H ASP 23 11.421 0.973 9.347 160 HA ASP 23 HA ASP 23 13.958 -0.593 9.312 161 1HB ASP 23 HB2 ASP 23 13.339 -0.364 7.027 162 2HB ASP 23 HB3 ASP 23 12.799 1.298 7.254 163 H PHE 24 H PHE 24 14.740 0.097 11.178 164 HA PHE 24 HA PHE 24 14.724 2.904 12.025 165 1HB PHE 24 HB2 PHE 24 15.880 0.347 13.190 166 2HB PHE 24 HB3 PHE 24 16.229 1.945 13.835 167 HD1 PHE 24 HD1 PHE 24 14.657 3.133 15.193 168 HD2 PHE 24 HD2 PHE 24 13.419 -0.437 13.118 169 HE1 PHE 24 HE1 PHE 24 12.480 3.225 16.342 170 HE2 PHE 24 HE2 PHE 24 11.230 -0.349 14.290 171 HZ PHE 24 HZ PHE 24 10.736 1.513 15.858 172 H TRP 25 H TRP 25 16.043 4.247 11.049 173 HA TRP 25 HA TRP 25 18.762 3.494 10.340 174 1HB TRP 25 HB2 TRP 25 18.465 3.309 8.144 175 2HB TRP 25 HB3 TRP 25 16.757 3.234 8.418 176 HD1 TRP 25 HD1 TRP 25 19.332 5.200 6.643 177 HE1 TRP 25 HE1 TRP 25 18.275 7.216 5.465 178 HE3 TRP 25 HE3 TRP 25 14.860 5.325 9.088 179 HZ2 TRP 25 HZ2 TRP 25 15.927 8.872 5.767 180 HZ3 TRP 25 HZ3 TRP 25 13.279 7.221 8.729 181 HH2 TRP 25 HH2 TRP 25 13.803 8.985 7.054 182 H ALA 26 H ALA 26 19.512 5.839 9.026 183 HA ALA 26 HA ALA 26 18.186 8.161 9.942 184 1HB ALA 26 HB1 ALA 26 20.137 9.161 11.167 185 2HB ALA 26 HB2 ALA 26 19.411 7.815 12.051 186 3HB ALA 26 HB3 ALA 26 20.923 7.559 11.150 187 HA PRO 27 HA PRO 27 20.163 9.012 6.085 188 1HB PRO 27 HB2 PRO 27 20.427 11.903 6.842 189 2HB PRO 27 HB3 PRO 27 19.727 11.153 5.364 190 1HG PRO 27 HG2 PRO 27 18.119 12.122 7.362 191 2HG PRO 27 HG3 PRO 27 17.717 10.601 6.505 192 1HD PRO 27 HD2 PRO 27 19.015 10.937 9.216 193 2HD PRO 27 HD3 PRO 27 17.736 9.799 8.691 194 H TRP 28 H TRP 28 21.967 9.887 8.986 195 HA TRP 28 HA TRP 28 24.408 10.504 7.573 196 1HB TRP 28 HB2 TRP 28 25.518 10.311 9.685 197 2HB TRP 28 HB3 TRP 28 24.036 11.216 9.895 198 HD1 TRP 28 HD1 TRP 28 22.288 10.286 11.577 199 HE1 TRP 28 HE1 TRP 28 22.269 8.433 13.327 200 HE3 TRP 28 HE3 TRP 28 26.487 7.748 10.101 201 HZ2 TRP 28 HZ2 TRP 28 23.796 6.044 13.928 202 HZ3 TRP 28 HZ3 TRP 28 27.156 5.665 11.258 203 HH2 TRP 28 HH2 TRP 28 25.818 4.797 13.165 204 H CYS 29 H CYS 29 22.694 7.567 8.176 205 HA CYS 29 HA CYS 29 24.726 5.717 8.657 206 1HB CYS 29 HB2 CYS 29 22.198 5.465 8.873 207 2HB CYS 29 HB3 CYS 29 22.134 5.335 7.145 208 H GLY 30 H GLY 30 25.884 4.293 7.306 209 1HA GLY 30 HA2 GLY 30 26.102 5.002 4.416 210 2HA GLY 30 HA3 GLY 30 27.285 4.103 5.369 211 HA PRO 31 HA PRO 31 25.627 0.187 4.316 212 1HB PRO 31 HB2 PRO 31 24.611 -0.300 7.124 213 2HB PRO 31 HB3 PRO 31 25.531 -1.406 6.061 214 1HG PRO 31 HG2 PRO 31 26.810 -0.037 8.008 215 2HG PRO 31 HG3 PRO 31 27.540 -0.139 6.371 216 1HD PRO 31 HD2 PRO 31 25.986 2.142 7.600 217 2HD PRO 31 HD3 PRO 31 27.480 2.190 6.615 218 H CYS 32 H CYS 32 23.259 2.055 6.246 219 HA CYS 32 HA CYS 32 20.895 0.740 5.497 220 1HB CYS 32 HB2 CYS 32 21.199 3.738 5.806 221 2HB CYS 32 HB3 CYS 32 19.746 2.781 6.005 222 H LYS 33 H LYS 33 22.897 3.053 3.642 223 HA LYS 33 HA LYS 33 20.916 3.613 1.644 224 1HB LYS 33 HB2 LYS 33 23.940 3.806 1.382 225 2HB LYS 33 HB3 LYS 33 22.742 4.664 0.423 226 1HG LYS 33 HG2 LYS 33 23.215 5.078 3.413 227 2HG LYS 33 HG3 LYS 33 23.897 6.063 2.128 228 1HD LYS 33 HD2 LYS 33 21.727 6.906 1.485 229 2HD LYS 33 HD3 LYS 33 20.890 5.747 2.521 230 1HE LYS 33 HE2 LYS 33 20.958 8.069 3.480 231 2HE LYS 33 HE3 LYS 33 21.625 6.816 4.533 232 1HZ LYS 33 HZ1 LYS 33 22.953 8.870 4.406 233 2HZ LYS 33 HZ2 LYS 33 23.794 7.523 4.069 234 3HZ LYS 33 HZ3 LYS 33 23.332 8.546 2.840 235 H MET 34 H MET 34 23.163 0.931 2.159 236 HA MET 34 HA MET 34 23.136 -0.006 -0.557 237 1HB MET 34 HB2 MET 34 23.612 -1.639 1.958 238 2HB MET 34 HB3 MET 34 24.089 -2.049 0.312 239 1HG MET 34 HG2 MET 34 25.592 -0.019 0.320 240 2HG MET 34 HG3 MET 34 25.207 0.198 2.025 241 1HE MET 34 HE1 MET 34 25.179 -3.322 2.604 242 2HE MET 34 HE2 MET 34 26.699 -3.233 3.515 243 3HE MET 34 HE3 MET 34 25.449 -1.988 3.742 244 H ILE 35 H ILE 35 21.222 -0.723 2.395 245 HA ILE 35 HA ILE 35 19.708 -2.742 0.981 246 HB ILE 35 HB ILE 35 20.409 -3.047 3.303 247 1HG1 ILE 35 HG12 ILE 35 17.396 -3.153 2.935 248 2HG1 ILE 35 HG13 ILE 35 18.556 -4.324 2.304 249 1HG2 ILE 35 HG21 ILE 35 20.122 -0.785 4.152 250 2HG2 ILE 35 HG22 ILE 35 18.349 -0.926 4.012 251 3HG2 ILE 35 HG23 ILE 35 19.263 -1.932 5.161 252 1HD1 ILE 35 HD11 ILE 35 19.260 -4.807 4.673 253 2HD1 ILE 35 HD12 ILE 35 17.931 -3.762 5.227 254 3HD1 ILE 35 HD13 ILE 35 17.584 -5.226 4.296 255 H ALA 36 H ALA 36 19.247 0.703 1.632 256 HA ALA 36 HA ALA 36 16.535 0.969 1.477 257 1HB ALA 36 HB1 ALA 36 16.926 3.190 0.465 258 2HB ALA 36 HB2 ALA 36 18.027 2.847 1.813 259 3HB ALA 36 HB3 ALA 36 18.615 2.745 0.142 260 HA PRO 37 HA PRO 37 16.185 0.679 -3.261 261 1HB PRO 37 HB2 PRO 37 18.120 -0.604 -4.754 262 2HB PRO 37 HB3 PRO 37 18.067 1.162 -4.475 263 1HG PRO 37 HG2 PRO 37 19.673 -0.917 -2.961 264 2HG PRO 37 HG3 PRO 37 20.236 0.654 -3.621 265 1HD PRO 37 HD2 PRO 37 19.565 0.406 -1.025 266 2HD PRO 37 HD3 PRO 37 19.108 1.871 -1.933 267 H VAL 38 H VAL 38 17.768 -1.903 -1.407 268 HA VAL 38 HA VAL 38 16.441 -4.060 -2.755 269 HB VAL 38 HB VAL 38 17.531 -4.065 0.089 270 1HG1 VAL 38 HG11 VAL 38 17.130 -6.276 -1.955 271 2HG1 VAL 38 HG12 VAL 38 17.833 -6.469 -0.326 272 3HG1 VAL 38 HG13 VAL 38 16.135 -6.010 -0.504 273 1HG2 VAL 38 HG21 VAL 38 19.349 -3.311 -1.407 274 2HG2 VAL 38 HG22 VAL 38 19.625 -4.974 -0.896 275 3HG2 VAL 38 HG23 VAL 38 19.000 -4.643 -2.525 276 H LEU 39 H LEU 39 15.674 -1.990 0.123 277 HA LEU 39 HA LEU 39 13.184 -3.280 0.650 278 1HB LEU 39 HB2 LEU 39 14.096 -0.446 1.269 279 2HB LEU 39 HB3 LEU 39 12.594 -1.155 1.845 280 HG LEU 39 HG LEU 39 15.384 -2.162 2.497 281 1HD1 LEU 39 HD11 LEU 39 14.826 -0.019 3.578 282 2HD1 LEU 39 HD12 LEU 39 13.334 -0.725 4.234 283 3HD1 LEU 39 HD13 LEU 39 14.919 -1.330 4.763 284 1HD2 LEU 39 HD21 LEU 39 12.674 -3.142 3.506 285 2HD2 LEU 39 HD22 LEU 39 13.820 -4.064 2.511 286 3HD2 LEU 39 HD23 LEU 39 14.250 -3.629 4.165 287 H GLU 40 H GLU 40 14.032 -0.575 -1.572 288 HA GLU 40 HA GLU 40 11.340 -0.120 -2.385 289 1HB GLU 40 HB2 GLU 40 13.935 0.237 -3.921 290 2HB GLU 40 HB3 GLU 40 12.349 0.700 -4.540 291 1HG GLU 40 HG2 GLU 40 12.008 2.200 -2.601 292 2HG GLU 40 HG3 GLU 40 13.604 1.782 -1.984 293 H GLU 41 H GLU 41 13.747 -2.474 -3.636 294 HA GLU 41 HA GLU 41 11.969 -3.574 -5.582 295 1HB GLU 41 HB2 GLU 41 14.427 -4.691 -4.195 296 2HB GLU 41 HB3 GLU 41 13.503 -5.603 -5.399 297 1HG GLU 41 HG2 GLU 41 13.838 -3.793 -7.054 298 2HG GLU 41 HG3 GLU 41 14.811 -2.896 -5.894 299 H LEU 42 H LEU 42 12.506 -4.338 -2.151 300 HA LEU 42 HA LEU 42 10.814 -6.613 -2.046 301 1HB LEU 42 HB2 LEU 42 12.433 -5.984 -0.238 302 2HB LEU 42 HB3 LEU 42 11.463 -4.565 0.135 303 HG LEU 42 HG LEU 42 9.553 -6.008 0.793 304 1HD1 LEU 42 HD11 LEU 42 9.909 -8.416 1.141 305 2HD1 LEU 42 HD12 LEU 42 10.051 -8.026 -0.580 306 3HD1 LEU 42 HD13 LEU 42 11.516 -8.311 0.391 307 1HD2 LEU 42 HD21 LEU 42 12.185 -6.629 2.193 308 2HD2 LEU 42 HD22 LEU 42 11.149 -5.214 2.474 309 3HD2 LEU 42 HD23 LEU 42 10.560 -6.833 2.886 310 H ASP 43 H ASP 43 10.134 -3.115 -1.498 311 HA ASP 43 HA ASP 43 7.406 -3.334 -0.874 312 1HB ASP 43 HB2 ASP 43 8.820 -1.236 -0.759 313 2HB ASP 43 HB3 ASP 43 8.699 -1.123 -2.527 314 H GLN 44 H GLN 44 9.040 -3.114 -4.028 315 HA GLN 44 HA GLN 44 6.604 -3.040 -5.537 316 1HB GLN 44 HB2 GLN 44 9.499 -3.550 -6.284 317 2HB GLN 44 HB3 GLN 44 8.196 -3.469 -7.480 318 1HG GLN 44 HG2 GLN 44 7.641 -1.198 -6.890 319 2HG GLN 44 HG3 GLN 44 8.690 -1.215 -5.474 320 1HE2 GLN 44 HE22 GLN 44 10.991 -1.276 -5.781 321 2HE2 GLN 44 HE21 GLN 44 11.733 -0.690 -7.270 322 H GLU 45 H GLU 45 8.079 -5.664 -3.915 323 HA GLU 45 HA GLU 45 6.834 -7.699 -5.676 324 1HB GLU 45 HB2 GLU 45 9.005 -7.764 -3.550 325 2HB GLU 45 HB3 GLU 45 8.205 -9.237 -4.147 326 1HG GLU 45 HG2 GLU 45 8.796 -8.653 -6.470 327 2HG GLU 45 HG3 GLU 45 9.594 -7.186 -5.909 328 H MET 46 H MET 46 6.754 -6.372 -2.382 329 HA MET 46 HA MET 46 4.611 -8.338 -1.703 330 1HB MET 46 HB2 MET 46 6.494 -6.881 0.166 331 2HB MET 46 HB3 MET 46 5.396 -8.200 0.564 332 1HG MET 46 HG2 MET 46 7.888 -8.318 -1.169 333 2HG MET 46 HG3 MET 46 7.686 -9.010 0.431 334 1HE MET 46 HE1 MET 46 6.854 -11.475 0.851 335 2HE MET 46 HE2 MET 46 5.265 -10.665 0.644 336 3HE MET 46 HE3 MET 46 5.610 -12.205 -0.180 337 H GLY 47 H GLY 47 4.922 -5.012 -2.379 338 1HA GLY 47 HA2 GLY 47 3.660 -3.724 -0.302 339 2HA GLY 47 HA3 GLY 47 3.589 -3.227 -1.998 340 H ASP 48 H ASP 48 2.078 -6.005 -2.339 341 HA ASP 48 HA ASP 48 -0.616 -4.962 -2.158 342 1HB ASP 48 HB2 ASP 48 0.055 -6.527 -3.934 343 2HB ASP 48 HB3 ASP 48 0.434 -7.758 -2.726 344 H LYS 49 H LYS 49 1.531 -6.799 -0.116 345 HA LYS 49 HA LYS 49 -0.604 -7.357 1.897 346 1HB LYS 49 HB2 LYS 49 1.964 -8.899 1.292 347 2HB LYS 49 HB3 LYS 49 0.771 -9.336 2.498 348 1HG LYS 49 HG2 LYS 49 0.167 -9.305 -0.490 349 2HG LYS 49 HG3 LYS 49 0.833 -10.679 0.367 350 1HD LYS 49 HD2 LYS 49 -1.455 -11.108 0.170 351 2HD LYS 49 HD3 LYS 49 -1.176 -10.717 1.869 352 1HE LYS 49 HE2 LYS 49 -2.116 -8.470 1.536 353 2HE LYS 49 HE3 LYS 49 -2.224 -8.740 -0.207 354 1HZ LYS 49 HZ1 LYS 49 -4.351 -9.058 0.886 355 2HZ LYS 49 HZ2 LYS 49 -3.866 -10.465 0.227 356 3HZ LYS 49 HZ3 LYS 49 -3.758 -10.234 1.844 357 H LEU 50 H LEU 50 2.462 -5.829 1.253 358 HA LEU 50 HA LEU 50 3.076 -5.640 4.137 359 1HB LEU 50 HB2 LEU 50 4.583 -6.875 2.510 360 2HB LEU 50 HB3 LEU 50 4.848 -5.347 1.673 361 HG LEU 50 HG LEU 50 5.966 -4.423 3.683 362 1HD1 LEU 50 HD11 LEU 50 5.378 -7.181 4.846 363 2HD1 LEU 50 HD12 LEU 50 6.533 -6.033 5.543 364 3HD1 LEU 50 HD13 LEU 50 4.826 -5.613 5.482 365 1HD2 LEU 50 HD21 LEU 50 7.975 -5.838 3.606 366 2HD2 LEU 50 HD22 LEU 50 7.050 -7.122 2.794 367 3HD2 LEU 50 HD23 LEU 50 7.309 -5.554 1.994 368 H LYS 51 H LYS 51 4.128 -3.698 4.884 369 HA LYS 51 HA LYS 51 4.002 -1.248 3.249 370 1HB LYS 51 HB2 LYS 51 1.984 -1.192 4.761 371 2HB LYS 51 HB3 LYS 51 3.034 -1.523 6.140 372 1HG LYS 51 HG2 LYS 51 4.281 0.668 5.519 373 2HG LYS 51 HG3 LYS 51 2.929 1.004 4.444 374 1HD LYS 51 HD2 LYS 51 2.762 0.518 7.455 375 2HD LYS 51 HD3 LYS 51 2.812 2.101 6.681 376 1HE LYS 51 HE2 LYS 51 0.684 1.589 5.487 377 2HE LYS 51 HE3 LYS 51 0.607 0.021 6.319 378 1HZ LYS 51 HZ1 LYS 51 0.637 2.668 7.654 379 2HZ LYS 51 HZ2 LYS 51 -0.702 1.736 7.461 380 3HZ LYS 51 HZ3 LYS 51 0.537 1.214 8.417 381 H ILE 52 H ILE 52 5.883 0.050 3.810 382 HA ILE 52 HA ILE 52 7.758 -1.247 5.732 383 HB ILE 52 HB ILE 52 8.421 0.102 3.101 384 1HG1 ILE 52 HG12 ILE 52 8.716 -2.791 4.023 385 2HG1 ILE 52 HG13 ILE 52 7.594 -2.188 2.807 386 1HG2 ILE 52 HG21 ILE 52 10.098 0.673 4.854 387 2HG2 ILE 52 HG22 ILE 52 10.352 -1.061 5.154 388 3HG2 ILE 52 HG23 ILE 52 10.781 -0.333 3.592 389 1HD1 ILE 52 HD11 ILE 52 10.600 -2.401 2.553 390 2HD1 ILE 52 HD12 ILE 52 9.350 -3.229 1.617 391 3HD1 ILE 52 HD13 ILE 52 9.588 -1.484 1.413 392 H VAL 53 H VAL 53 8.685 0.247 7.230 393 HA VAL 53 HA VAL 53 7.612 3.045 7.082 394 HB VAL 53 HB VAL 53 7.381 1.077 9.394 395 1HG1 VAL 53 HG11 VAL 53 6.291 2.939 10.642 396 2HG1 VAL 53 HG12 VAL 53 7.991 3.283 10.332 397 3HG1 VAL 53 HG13 VAL 53 6.739 4.065 9.339 398 1HG2 VAL 53 HG21 VAL 53 4.975 1.551 9.208 399 2HG2 VAL 53 HG22 VAL 53 5.271 2.640 7.841 400 3HG2 VAL 53 HG23 VAL 53 5.595 0.906 7.683 401 H LYS 54 H LYS 54 9.508 4.072 6.633 402 HA LYS 54 HA LYS 54 11.992 3.327 8.010 403 1HB LYS 54 HB2 LYS 54 11.361 5.703 6.201 404 2HB LYS 54 HB3 LYS 54 12.964 5.207 6.770 405 1HG LYS 54 HG2 LYS 54 12.703 3.020 5.601 406 2HG LYS 54 HG3 LYS 54 11.125 3.520 5.011 407 1HD LYS 54 HD2 LYS 54 12.779 3.790 3.257 408 2HD LYS 54 HD3 LYS 54 12.103 5.342 3.733 409 1HE LYS 54 HE2 LYS 54 14.438 5.639 3.388 410 2HE LYS 54 HE3 LYS 54 14.127 5.798 5.118 411 1HZ LYS 54 HZ1 LYS 54 15.292 3.436 3.759 412 2HZ LYS 54 HZ2 LYS 54 16.078 4.467 4.752 413 3HZ LYS 54 HZ3 LYS 54 14.946 3.453 5.356 414 H ILE 55 H ILE 55 12.732 4.232 9.897 415 HA ILE 55 HA ILE 55 11.515 6.733 10.872 416 HB ILE 55 HB ILE 55 10.084 5.075 11.807 417 1HG1 ILE 55 HG12 ILE 55 11.992 5.957 14.004 418 2HG1 ILE 55 HG13 ILE 55 10.892 7.051 13.156 419 1HG2 ILE 55 HG21 ILE 55 10.856 3.254 13.301 420 2HG2 ILE 55 HG22 ILE 55 11.462 3.046 11.660 421 3HG2 ILE 55 HG23 ILE 55 12.537 3.664 12.929 422 1HD1 ILE 55 HD11 ILE 55 9.906 6.369 15.272 423 2HD1 ILE 55 HD12 ILE 55 8.948 5.746 13.923 424 3HD1 ILE 55 HD13 ILE 55 10.033 4.662 14.835 425 H ASP 56 H ASP 56 12.945 8.016 11.952 426 HA ASP 56 HA ASP 56 15.710 7.232 11.497 427 1HB ASP 56 HB2 ASP 56 16.209 9.578 11.527 428 2HB ASP 56 HB3 ASP 56 14.955 9.173 10.354 429 H VAL 57 H VAL 57 16.924 6.526 13.194 430 HA VAL 57 HA VAL 57 16.039 6.694 15.883 431 HB VAL 57 HB VAL 57 18.250 5.831 16.504 432 1HG1 VAL 57 HG11 VAL 57 18.104 3.717 15.296 433 2HG1 VAL 57 HG12 VAL 57 16.493 4.320 15.695 434 3HG1 VAL 57 HG13 VAL 57 17.104 4.463 14.030 435 1HG2 VAL 57 HG21 VAL 57 19.971 5.317 14.861 436 2HG2 VAL 57 HG22 VAL 57 19.029 6.073 13.568 437 3HG2 VAL 57 HG23 VAL 57 19.692 7.062 14.887 438 H ASP 58 H ASP 58 17.670 9.095 14.007 439 HA ASP 58 HA ASP 58 19.043 10.521 16.037 440 1HB ASP 58 HB2 ASP 58 19.394 10.814 13.610 441 2HB ASP 58 HB3 ASP 58 17.787 11.529 13.460 442 H GLU 59 H GLU 59 15.581 10.387 15.310 443 HA GLU 59 HA GLU 59 15.130 12.384 17.499 444 1HB GLU 59 HB2 GLU 59 13.620 12.143 14.871 445 2HB GLU 59 HB3 GLU 59 13.102 13.114 16.249 446 1HG GLU 59 HG2 GLU 59 15.293 14.366 16.137 447 2HG GLU 59 HG3 GLU 59 15.633 13.535 14.620 448 H ASN 60 H ASN 60 14.844 9.179 16.783 449 HA ASN 60 HA ASN 60 12.266 8.880 18.273 450 1HB ASN 60 HB2 ASN 60 13.168 7.275 15.857 451 2HB ASN 60 HB3 ASN 60 11.718 6.994 16.811 452 1HD2 ASN 60 HD22 ASN 60 13.128 8.976 14.295 453 2HD2 ASN 60 HD21 ASN 60 11.721 9.909 13.937 454 H GLN 61 H GLN 61 14.777 8.891 19.539 455 HA GLN 61 HA GLN 61 15.940 6.378 20.002 456 1HB GLN 61 HB2 GLN 61 15.486 8.653 21.990 457 2HB GLN 61 HB3 GLN 61 16.575 7.286 22.210 458 1HG GLN 61 HG2 GLN 61 18.137 8.719 21.434 459 2HG GLN 61 HG3 GLN 61 17.570 8.122 19.877 460 1HE2 GLN 61 HE22 GLN 61 17.188 9.692 18.408 461 2HE2 GLN 61 HE21 GLN 61 16.875 11.373 18.765 462 H GLU 62 H GLU 62 12.840 7.708 21.266 463 HA GLU 62 HA GLU 62 12.523 5.872 23.373 464 1HB GLU 62 HB2 GLU 62 11.441 8.066 23.164 465 2HB GLU 62 HB3 GLU 62 10.704 7.602 21.635 466 1HG GLU 62 HG2 GLU 62 9.072 7.593 23.342 467 2HG GLU 62 HG3 GLU 62 9.328 5.963 22.716 468 H THR 63 H THR 63 11.293 5.823 19.926 469 HA THR 63 HA THR 63 9.956 3.338 20.241 470 HB THR 63 HB THR 63 11.037 4.198 17.618 471 HG1 THR 63 HG1 THR 63 9.066 5.715 18.981 472 1HG2 THR 63 HG21 THR 63 9.384 2.372 17.747 473 2HG2 THR 63 HG22 THR 63 8.200 3.496 18.449 474 3HG2 THR 63 HG23 THR 63 8.798 3.736 16.788 475 H ALA 64 H ALA 64 13.228 4.268 19.071 476 HA ALA 64 HA ALA 64 14.152 1.682 18.362 477 1HB ALA 64 HB1 ALA 64 15.646 4.093 19.523 478 2HB ALA 64 HB2 ALA 64 16.422 2.721 18.736 479 3HB ALA 64 HB3 ALA 64 15.345 3.776 17.802 480 H GLY 65 H GLY 65 14.299 3.400 21.529 481 1HA GLY 65 HA2 GLY 65 15.586 1.358 23.001 482 2HA GLY 65 HA3 GLY 65 14.546 2.643 23.649 483 H LYS 66 H LYS 66 12.208 1.736 22.001 484 HA LYS 66 HA LYS 66 10.917 0.059 23.812 485 1HB LYS 66 HB2 LYS 66 10.093 1.571 21.724 486 2HB LYS 66 HB3 LYS 66 10.191 0.055 20.875 487 1HG LYS 66 HG2 LYS 66 7.924 0.476 21.637 488 2HG LYS 66 HG3 LYS 66 8.561 -0.976 22.399 489 1HD LYS 66 HD2 LYS 66 7.213 0.496 23.918 490 2HD LYS 66 HD3 LYS 66 8.834 0.152 24.518 491 1HE LYS 66 HE2 LYS 66 9.615 2.371 23.665 492 2HE LYS 66 HE3 LYS 66 7.982 2.714 23.084 493 1HZ LYS 66 HZ1 LYS 66 7.213 2.713 25.353 494 2HZ LYS 66 HZ2 LYS 66 8.676 2.242 25.924 495 3HZ LYS 66 HZ3 LYS 66 8.515 3.713 25.237 496 H TYR 67 H TYR 67 12.971 -0.820 21.058 497 HA TYR 67 HA TYR 67 12.573 -3.699 21.766 498 1HB TYR 67 HB2 TYR 67 13.502 -2.851 19.053 499 2HB TYR 67 HB3 TYR 67 12.632 -4.297 19.535 500 HD1 TYR 67 HD1 TYR 67 10.120 -3.941 20.302 501 HD2 TYR 67 HD2 TYR 67 12.415 -0.994 18.140 502 HE1 TYR 67 HE1 TYR 67 8.033 -2.724 19.738 503 HE2 TYR 67 HE2 TYR 67 10.379 0.237 17.614 504 HH TYR 67 HH TYR 67 8.041 0.358 17.905 505 H GLY 68 H GLY 68 14.659 -1.432 22.545 506 1HA GLY 68 HA2 GLY 68 16.870 -1.349 23.061 507 2HA GLY 68 HA3 GLY 68 16.917 -3.110 22.874 508 H VAL 69 H VAL 69 16.066 -0.834 20.234 509 HA VAL 69 HA VAL 69 18.173 -1.837 18.498 510 HB VAL 69 HB VAL 69 16.363 0.600 18.242 511 1HG1 VAL 69 HG11 VAL 69 16.875 0.428 15.809 512 2HG1 VAL 69 HG12 VAL 69 18.292 0.838 16.774 513 3HG1 VAL 69 HG13 VAL 69 18.086 -0.820 16.179 514 1HG2 VAL 69 HG21 VAL 69 14.967 -1.353 18.334 515 2HG2 VAL 69 HG22 VAL 69 15.040 -0.810 16.663 516 3HG2 VAL 69 HG23 VAL 69 15.998 -2.219 17.177 517 H MET 70 H MET 70 20.247 -1.186 18.581 518 HA MET 70 HA MET 70 20.974 1.500 19.653 519 1HB MET 70 HB2 MET 70 22.201 -1.194 20.372 520 2HB MET 70 HB3 MET 70 22.910 0.372 20.793 521 1HG MET 70 HG2 MET 70 20.879 0.962 22.079 522 2HG MET 70 HG3 MET 70 20.199 -0.627 21.723 523 1HE MET 70 HE1 MET 70 20.923 -0.914 25.531 524 2HE MET 70 HE2 MET 70 20.350 0.511 24.637 525 3HE MET 70 HE3 MET 70 19.721 -1.105 24.236 526 H SER 71 H SER 71 20.936 -0.307 16.956 527 HA SER 71 HA SER 71 23.316 0.888 15.792 528 1HB SER 71 HB2 SER 71 22.680 -2.095 15.556 529 2HB SER 71 HB3 SER 71 24.010 -1.240 14.763 530 HG SER 71 HG SER 71 24.684 -2.369 16.641 531 H ILE 72 H ILE 72 23.113 0.718 13.344 532 HA ILE 72 HA ILE 72 20.455 0.047 12.351 533 HB ILE 72 HB ILE 72 20.281 2.143 11.079 534 1HG1 ILE 72 HG12 ILE 72 22.438 3.286 12.908 535 2HG1 ILE 72 HG13 ILE 72 22.686 2.861 11.213 536 1HG2 ILE 72 HG21 ILE 72 19.253 3.432 12.830 537 2HG2 ILE 72 HG22 ILE 72 19.055 1.729 13.238 538 3HG2 ILE 72 HG23 ILE 72 20.289 2.697 14.068 539 1HD1 ILE 72 HD11 ILE 72 22.303 5.242 11.364 540 2HD1 ILE 72 HD12 ILE 72 20.922 4.481 10.553 541 3HD1 ILE 72 HD13 ILE 72 20.788 5.008 12.244 542 HA PRO 73 HA PRO 73 19.573 0.436 9.956 543 1HB PRO 73 HB2 PRO 73 19.114 -1.524 8.104 544 2HB PRO 73 HB3 PRO 73 19.774 0.080 7.689 545 1HG PRO 73 HG2 PRO 73 21.276 -2.511 8.114 546 2HG PRO 73 HG3 PRO 73 21.495 -1.308 6.806 547 1HD PRO 73 HD2 PRO 73 23.105 -1.389 9.024 548 2HD PRO 73 HD3 PRO 73 22.675 0.152 8.229 549 H THR 74 H THR 74 17.955 -0.540 11.099 550 HA THR 74 HA THR 74 18.242 -3.414 11.829 551 HB THR 74 HB THR 74 17.638 -1.116 13.733 552 HG1 THR 74 HG1 THR 74 19.628 -1.400 14.223 553 1HG2 THR 74 HG21 THR 74 17.510 -3.008 15.456 554 2HG2 THR 74 HG22 THR 74 16.117 -2.852 14.377 555 3HG2 THR 74 HG23 THR 74 17.318 -4.127 14.093 556 H LEU 75 H LEU 75 16.300 -4.519 11.845 557 HA LEU 75 HA LEU 75 14.045 -3.067 10.561 558 1HB LEU 75 HB2 LEU 75 15.119 -5.847 9.978 559 2HB LEU 75 HB3 LEU 75 13.699 -5.121 9.240 560 HG LEU 75 HG LEU 75 16.585 -4.177 8.906 561 1HD1 LEU 75 HD11 LEU 75 14.682 -5.545 6.964 562 2HD1 LEU 75 HD12 LEU 75 16.324 -4.975 6.599 563 3HD1 LEU 75 HD13 LEU 75 16.091 -6.280 7.768 564 1HD2 LEU 75 HD21 LEU 75 14.005 -3.060 7.726 565 2HD2 LEU 75 HD22 LEU 75 15.210 -2.226 8.727 566 3HD2 LEU 75 HD23 LEU 75 15.630 -2.710 7.088 567 H LEU 76 H LEU 76 12.089 -3.438 11.504 568 HA LEU 76 HA LEU 76 11.825 -5.687 13.496 569 1HB LEU 76 HB2 LEU 76 10.922 -2.777 13.691 570 2HB LEU 76 HB3 LEU 76 10.065 -4.057 14.514 571 HG LEU 76 HG LEU 76 11.585 -2.764 15.965 572 1HD1 LEU 76 HD11 LEU 76 10.916 -5.008 16.617 573 2HD1 LEU 76 HD12 LEU 76 12.236 -5.734 15.685 574 3HD1 LEU 76 HD13 LEU 76 12.592 -4.731 17.104 575 1HD2 LEU 76 HD21 LEU 76 13.911 -4.152 14.607 576 2HD2 LEU 76 HD22 LEU 76 13.438 -2.476 14.273 577 3HD2 LEU 76 HD23 LEU 76 13.945 -2.953 15.906 578 H VAL 77 H VAL 77 10.240 -7.036 12.774 579 HA VAL 77 HA VAL 77 8.435 -5.983 10.654 580 HB VAL 77 HB VAL 77 8.668 -8.897 11.285 581 1HG1 VAL 77 HG11 VAL 77 8.233 -7.326 8.701 582 2HG1 VAL 77 HG12 VAL 77 8.069 -9.083 8.901 583 3HG1 VAL 77 HG13 VAL 77 6.952 -7.978 9.737 584 1HG2 VAL 77 HG21 VAL 77 10.695 -7.425 9.543 585 2HG2 VAL 77 HG22 VAL 77 11.037 -8.417 10.972 586 3HG2 VAL 77 HG23 VAL 77 10.420 -9.180 9.505 587 H LEU 78 H LEU 78 6.433 -5.545 11.382 588 HA LEU 78 HA LEU 78 5.611 -6.613 14.032 589 1HB LEU 78 HB2 LEU 78 4.937 -3.904 12.789 590 2HB LEU 78 HB3 LEU 78 4.199 -4.586 14.228 591 HG LEU 78 HG LEU 78 6.747 -4.760 15.052 592 1HD1 LEU 78 HD11 LEU 78 6.797 -2.368 13.167 593 2HD1 LEU 78 HD12 LEU 78 8.025 -2.747 14.388 594 3HD1 LEU 78 HD13 LEU 78 7.768 -3.835 13.021 595 1HD2 LEU 78 HD21 LEU 78 6.463 -2.672 16.266 596 2HD2 LEU 78 HD22 LEU 78 5.171 -2.165 15.162 597 3HD2 LEU 78 HD23 LEU 78 4.939 -3.565 16.227 598 H LYS 79 H LYS 79 3.388 -7.074 14.217 599 HA LYS 79 HA LYS 79 1.829 -7.310 11.688 600 1HB LYS 79 HB2 LYS 79 2.893 -9.485 12.183 601 2HB LYS 79 HB3 LYS 79 2.212 -9.465 13.819 602 1HG LYS 79 HG2 LYS 79 -0.087 -9.425 12.725 603 2HG LYS 79 HG3 LYS 79 0.742 -9.630 11.162 604 1HD LYS 79 HD2 LYS 79 1.674 -11.788 11.917 605 2HD LYS 79 HD3 LYS 79 1.001 -11.531 13.528 606 1HE LYS 79 HE2 LYS 79 -0.443 -13.072 12.453 607 2HE LYS 79 HE3 LYS 79 -1.309 -11.538 12.553 608 1HZ LYS 79 HZ1 LYS 79 -0.756 -11.179 10.198 609 2HZ LYS 79 HZ2 LYS 79 0.056 -12.614 10.148 610 3HZ LYS 79 HZ3 LYS 79 -1.554 -12.586 10.388 611 H ASP 80 H ASP 80 0.181 -5.981 12.043 612 HA ASP 80 HA ASP 80 -1.494 -4.846 13.002 613 1HB ASP 80 HB2 ASP 80 -2.452 -7.101 12.844 614 2HB ASP 80 HB3 ASP 80 -1.939 -7.446 14.498 615 H GLY 81 H GLY 81 0.929 -4.194 14.122 616 1HA GLY 81 HA2 GLY 81 1.218 -2.435 15.585 617 2HA GLY 81 HA3 GLY 81 -0.035 -3.054 16.653 618 H GLU 82 H GLU 82 1.867 -5.783 16.228 619 HA GLU 82 HA GLU 82 3.794 -4.974 18.347 620 1HB GLU 82 HB2 GLU 82 3.267 -6.903 19.588 621 2HB GLU 82 HB3 GLU 82 1.738 -6.116 19.164 622 1HG GLU 82 HG2 GLU 82 1.357 -7.780 17.380 623 2HG GLU 82 HG3 GLU 82 2.877 -8.583 17.788 624 H VAL 83 H VAL 83 5.782 -6.165 18.400 625 HA VAL 83 HA VAL 83 6.848 -6.775 15.808 626 HB VAL 83 HB VAL 83 8.003 -7.395 18.552 627 1HG1 VAL 83 HG11 VAL 83 9.331 -7.040 15.819 628 2HG1 VAL 83 HG12 VAL 83 10.184 -7.260 17.362 629 3HG1 VAL 83 HG13 VAL 83 9.188 -8.563 16.723 630 1HG2 VAL 83 HG21 VAL 83 7.502 -4.976 18.397 631 2HG2 VAL 83 HG22 VAL 83 9.235 -5.269 18.311 632 3HG2 VAL 83 HG23 VAL 83 8.336 -4.894 16.829 633 H VAL 84 H VAL 84 6.943 -8.560 14.727 634 HA VAL 84 HA VAL 84 6.419 -11.159 16.067 635 HB VAL 84 HB VAL 84 4.581 -10.495 14.654 636 1HG1 VAL 84 HG11 VAL 84 5.541 -9.009 13.041 637 2HG1 VAL 84 HG12 VAL 84 6.600 -10.283 12.393 638 3HG1 VAL 84 HG13 VAL 84 4.845 -10.370 12.171 639 1HG2 VAL 84 HG21 VAL 84 5.163 -12.895 14.801 640 2HG2 VAL 84 HG22 VAL 84 4.341 -12.453 13.296 641 3HG2 VAL 84 HG23 VAL 84 6.096 -12.742 13.294 642 H GLU 85 H GLU 85 8.701 -9.267 14.020 643 HA GLU 85 HA GLU 85 10.647 -11.394 14.539 644 1HB GLU 85 HB2 GLU 85 9.930 -10.606 11.683 645 2HB GLU 85 HB3 GLU 85 11.450 -11.346 12.102 646 1HG GLU 85 HG2 GLU 85 8.710 -12.623 12.397 647 2HG GLU 85 HG3 GLU 85 9.882 -12.930 11.137 648 H THR 86 H THR 86 12.898 -10.633 13.883 649 HA THR 86 HA THR 86 13.204 -7.710 13.636 650 HB THR 86 HB THR 86 14.627 -9.383 15.746 651 HG1 THR 86 HG1 THR 86 12.441 -9.136 16.277 652 1HG2 THR 86 HG21 THR 86 14.527 -6.374 15.263 653 2HG2 THR 86 HG22 THR 86 15.203 -7.133 16.722 654 3HG2 THR 86 HG23 THR 86 15.947 -7.433 15.150 655 H SER 87 H SER 87 15.273 -7.190 12.651 656 HA SER 87 HA SER 87 17.294 -9.258 12.274 657 1HB SER 87 HB2 SER 87 15.766 -8.026 9.945 658 2HB SER 87 HB3 SER 87 17.385 -8.725 9.768 659 HG SER 87 HG SER 87 15.377 -10.188 11.083 660 H VAL 88 H VAL 88 19.357 -8.254 11.545 661 HA VAL 88 HA VAL 88 19.483 -5.305 11.892 662 HB VAL 88 HB VAL 88 21.270 -7.305 13.320 663 1HG1 VAL 88 HG11 VAL 88 22.428 -5.192 12.873 664 2HG1 VAL 88 HG12 VAL 88 21.063 -4.270 13.539 665 3HG1 VAL 88 HG13 VAL 88 22.053 -5.303 14.591 666 1HG2 VAL 88 HG21 VAL 88 20.215 -6.533 15.436 667 2HG2 VAL 88 HG22 VAL 88 19.022 -5.619 14.491 668 3HG2 VAL 88 HG23 VAL 88 19.075 -7.394 14.407 669 H GLY 89 H GLY 89 21.117 -4.346 10.653 670 1HA GLY 89 HA2 GLY 89 22.907 -4.166 9.221 671 2HA GLY 89 HA3 GLY 89 23.235 -5.894 9.386 672 H PHE 90 H PHE 90 23.625 -5.313 6.957 673 HA PHE 90 HA PHE 90 21.355 -5.133 5.195 674 1HB PHE 90 HB2 PHE 90 23.710 -4.566 4.548 675 2HB PHE 90 HB3 PHE 90 24.142 -6.266 4.691 676 HD1 PHE 90 HD1 PHE 90 23.220 -7.950 3.056 677 HD2 PHE 90 HD2 PHE 90 22.518 -3.716 2.619 678 HE1 PHE 90 HE1 PHE 90 22.472 -8.314 0.721 679 HE2 PHE 90 HE2 PHE 90 21.784 -4.086 0.273 680 HZ PHE 90 HZ PHE 90 21.753 -6.384 -0.674 681 H LYS 91 H LYS 91 20.113 -6.695 4.255 682 HA LYS 91 HA LYS 91 20.660 -9.515 4.761 683 1HB LYS 91 HB2 LYS 91 19.418 -8.464 6.775 684 2HB LYS 91 HB3 LYS 91 18.021 -8.290 5.700 685 1HG LYS 91 HG2 LYS 91 17.899 -10.677 5.379 686 2HG LYS 91 HG3 LYS 91 19.511 -10.905 6.106 687 1HD LYS 91 HD2 LYS 91 18.685 -10.151 8.279 688 2HD LYS 91 HD3 LYS 91 17.048 -9.944 7.611 689 1HE LYS 91 HE2 LYS 91 16.839 -12.310 7.187 690 2HE LYS 91 HE3 LYS 91 18.556 -12.593 7.518 691 1HZ LYS 91 HZ1 LYS 91 16.663 -11.616 9.573 692 2HZ LYS 91 HZ2 LYS 91 17.065 -13.205 9.379 693 3HZ LYS 91 HZ3 LYS 91 18.198 -12.119 9.810 694 HA PRO 92 HA PRO 92 19.104 -9.166 0.680 695 1HB PRO 92 HB2 PRO 92 18.525 -11.768 -0.039 696 2HB PRO 92 HB3 PRO 92 20.182 -11.107 0.129 697 1HG PRO 92 HG2 PRO 92 18.594 -12.699 2.152 698 2HG PRO 92 HG3 PRO 92 20.305 -12.917 1.668 699 1HD PRO 92 HD2 PRO 92 19.611 -11.565 3.919 700 2HD PRO 92 HD3 PRO 92 20.994 -11.033 2.917 701 H LYS 93 H LYS 93 17.311 -9.146 -0.605 702 HA LYS 93 HA LYS 93 14.830 -8.521 0.461 703 1HB LYS 93 HB2 LYS 93 15.723 -7.976 -1.787 704 2HB LYS 93 HB3 LYS 93 15.577 -9.654 -2.285 705 1HG LYS 93 HG2 LYS 93 13.164 -9.539 -2.246 706 2HG LYS 93 HG3 LYS 93 13.199 -7.982 -1.395 707 1HD LYS 93 HD2 LYS 93 12.740 -7.599 -3.748 708 2HD LYS 93 HD3 LYS 93 14.309 -6.927 -3.271 709 1HE LYS 93 HE2 LYS 93 14.483 -7.914 -5.476 710 2HE LYS 93 HE3 LYS 93 15.481 -8.823 -4.340 711 1HZ LYS 93 HZ1 LYS 93 13.780 -10.544 -4.295 712 2HZ LYS 93 HZ2 LYS 93 12.766 -9.629 -5.224 713 3HZ LYS 93 HZ3 LYS 93 14.161 -10.219 -5.850 714 H GLU 94 H GLU 94 15.830 -11.606 -1.003 715 HA GLU 94 HA GLU 94 13.333 -12.876 -0.821 716 1HB GLU 94 HB2 GLU 94 16.052 -14.257 -0.589 717 2HB GLU 94 HB3 GLU 94 14.537 -14.988 -1.120 718 1HG GLU 94 HG2 GLU 94 16.193 -12.891 -2.576 719 2HG GLU 94 HG3 GLU 94 15.957 -14.570 -3.037 720 H ALA 95 H ALA 95 16.003 -12.770 1.583 721 HA ALA 95 HA ALA 95 14.766 -14.564 3.422 722 1HB ALA 95 HB1 ALA 95 16.365 -13.650 5.067 723 2HB ALA 95 HB2 ALA 95 17.165 -14.055 3.539 724 3HB ALA 95 HB3 ALA 95 16.803 -12.354 3.937 725 H LEU 96 H LEU 96 14.695 -11.002 3.082 726 HA LEU 96 HA LEU 96 13.105 -10.539 5.400 727 1HB LEU 96 HB2 LEU 96 13.294 -8.920 2.828 728 2HB LEU 96 HB3 LEU 96 12.487 -8.379 4.297 729 HG LEU 96 HG LEU 96 15.464 -8.963 4.010 730 1HD1 LEU 96 HD11 LEU 96 15.703 -6.540 4.343 731 2HD1 LEU 96 HD12 LEU 96 14.729 -6.890 2.911 732 3HD1 LEU 96 HD13 LEU 96 13.938 -6.355 4.412 733 1HD2 LEU 96 HD21 LEU 96 14.809 -9.535 6.289 734 2HD2 LEU 96 HD22 LEU 96 15.680 -8.012 6.285 735 3HD2 LEU 96 HD23 LEU 96 13.908 -8.008 6.450 736 H GLN 97 H GLN 97 12.140 -11.168 2.006 737 HA GLN 97 HA GLN 97 9.392 -10.744 2.660 738 1HB GLN 97 HB2 GLN 97 9.028 -10.818 0.458 739 2HB GLN 97 HB3 GLN 97 10.772 -10.608 0.408 740 1HG GLN 97 HG2 GLN 97 11.031 -13.035 0.039 741 2HG GLN 97 HG3 GLN 97 9.247 -13.181 0.001 742 1HE2 GLN 97 HE22 GLN 97 11.583 -10.796 -1.448 743 2HE2 GLN 97 HE21 GLN 97 10.893 -10.836 -3.055 744 H GLU 98 H GLU 98 11.481 -13.621 2.667 745 HA GLU 98 HA GLU 98 9.403 -15.524 3.003 746 1HB GLU 98 HB2 GLU 98 11.573 -16.153 2.186 747 2HB GLU 98 HB3 GLU 98 12.388 -15.341 3.519 748 1HG GLU 98 HG2 GLU 98 12.542 -17.680 3.792 749 2HG GLU 98 HG3 GLU 98 11.639 -16.926 5.100 750 H LEU 99 H LEU 99 11.323 -13.497 5.259 751 HA LEU 99 HA LEU 99 10.248 -14.611 7.680 752 1HB LEU 99 HB2 LEU 99 11.323 -11.842 7.035 753 2HB LEU 99 HB3 LEU 99 10.699 -12.253 8.624 754 HG LEU 99 HG LEU 99 12.953 -13.788 7.292 755 1HD1 LEU 99 HD11 LEU 99 14.471 -12.500 8.756 756 2HD1 LEU 99 HD12 LEU 99 13.621 -11.439 7.628 757 3HD1 LEU 99 HD13 LEU 99 13.107 -11.517 9.326 758 1HD2 LEU 99 HD21 LEU 99 13.439 -14.556 9.599 759 2HD2 LEU 99 HD22 LEU 99 12.010 -13.687 10.192 760 3HD2 LEU 99 HD23 LEU 99 11.834 -15.065 9.083 761 H VAL 100 H VAL 100 9.193 -11.786 5.700 762 HA VAL 100 HA VAL 100 6.782 -11.263 7.046 763 HB VAL 100 HB VAL 100 7.662 -10.995 4.160 764 1HG1 VAL 100 HG11 VAL 100 5.257 -11.169 4.001 765 2HG1 VAL 100 HG12 VAL 100 5.040 -9.959 5.282 766 3HG1 VAL 100 HG13 VAL 100 5.760 -9.502 3.720 767 1HG2 VAL 100 HG21 VAL 100 7.178 -8.879 6.289 768 2HG2 VAL 100 HG22 VAL 100 8.765 -9.550 5.868 769 3HG2 VAL 100 HG23 VAL 100 7.860 -8.642 4.661 770 H ASN 101 H ASN 101 7.443 -13.668 4.503 771 HA ASN 101 HA ASN 101 4.780 -14.418 4.036 772 1HB ASN 101 HB2 ASN 101 6.713 -14.941 2.537 773 2HB ASN 101 HB3 ASN 101 7.286 -16.129 3.710 774 1HD2 ASN 101 HD22 ASN 101 4.966 -15.476 1.184 775 2HD2 ASN 101 HD21 ASN 101 4.252 -17.068 1.146 776 H LYS 102 H LYS 102 7.096 -15.727 6.467 777 HA LYS 102 HA LYS 102 5.448 -18.027 7.001 778 1HB LYS 102 HB2 LYS 102 6.785 -18.369 9.037 779 2HB LYS 102 HB3 LYS 102 7.757 -18.197 7.582 780 1HG LYS 102 HG2 LYS 102 8.534 -16.086 8.157 781 2HG LYS 102 HG3 LYS 102 7.258 -15.789 9.352 782 1HD LYS 102 HD2 LYS 102 9.517 -17.806 9.685 783 2HD LYS 102 HD3 LYS 102 9.524 -16.144 10.297 784 1HE LYS 102 HE2 LYS 102 7.329 -16.714 11.510 785 2HE LYS 102 HE3 LYS 102 7.667 -18.410 11.127 786 1HZ LYS 102 HZ1 LYS 102 9.381 -16.576 12.714 787 2HZ LYS 102 HZ2 LYS 102 8.504 -17.827 13.304 788 3HZ LYS 102 HZ3 LYS 102 9.787 -18.132 12.341 789 H HIS 103 H HIS 103 5.041 -14.713 8.046 790 HA HIS 103 HA HIS 103 3.031 -15.653 10.034 791 1HB HIS 103 HB2 HIS 103 3.624 -13.744 11.345 792 2HB HIS 103 HB3 HIS 103 4.995 -14.834 11.057 793 HD1 HIS 103 HD1 HIS 103 3.761 -11.426 9.621 794 HD2 HIS 103 HD2 HIS 103 7.205 -13.662 10.533 795 HE1 HIS 103 HE1 HIS 103 5.761 -9.877 9.300 796 H LEU 104 H LEU 104 3.392 -13.808 7.202 797 HA LEU 104 HA LEU 104 1.250 -12.028 7.268 798 1HB LEU 104 HB2 LEU 104 2.349 -13.857 5.140 799 2HB LEU 104 HB3 LEU 104 0.757 -13.174 4.848 800 HG LEU 104 HG LEU 104 3.239 -11.551 5.424 801 1HD1 LEU 104 HD11 LEU 104 3.099 -10.974 2.988 802 2HD1 LEU 104 HD12 LEU 104 3.372 -12.704 3.243 803 3HD1 LEU 104 HD13 LEU 104 1.755 -12.116 2.807 804 1HD2 LEU 104 HD21 LEU 104 1.883 -9.624 4.619 805 2HD2 LEU 104 HD22 LEU 104 0.465 -10.687 4.455 806 3HD2 LEU 104 HD23 LEU 104 1.138 -10.330 6.045 Start of MODEL 6 1 1H MET 1 H1 MET 1 -1.796 1.447 0.421 2 2H MET 1 H2 MET 1 -0.594 2.302 -0.293 3 3H MET 1 H3 MET 1 -1.006 0.835 -0.883 4 HA MET 1 HA MET 1 0.200 1.358 1.739 5 1HB MET 1 HB2 MET 1 -1.380 -0.564 1.745 6 2HB MET 1 HB3 MET 1 -0.453 -1.334 0.453 7 1HG MET 1 HG2 MET 1 1.520 -1.425 1.917 8 2HG MET 1 HG3 MET 1 0.646 -0.586 3.197 9 1HE MET 1 HE1 MET 1 -1.727 -3.239 4.677 10 2HE MET 1 HE2 MET 1 -0.898 -1.689 4.923 11 3HE MET 1 HE3 MET 1 -2.110 -1.857 3.629 12 H ALA 2 H ALA 2 2.401 1.614 1.691 13 HA ALA 2 HA ALA 2 4.085 0.620 -0.463 14 1HB ALA 2 HB1 ALA 2 3.574 3.618 -0.145 15 2HB ALA 2 HB2 ALA 2 4.724 2.856 -1.268 16 3HB ALA 2 HB3 ALA 2 2.992 2.626 -1.502 17 H ILE 3 H ILE 3 6.258 2.365 0.004 18 HA ILE 3 HA ILE 3 7.039 1.873 2.777 19 HB ILE 3 HB ILE 3 8.287 3.549 0.568 20 1HG1 ILE 3 HG12 ILE 3 9.661 1.052 1.496 21 2HG1 ILE 3 HG13 ILE 3 8.163 0.774 0.622 22 1HG2 ILE 3 HG21 ILE 3 10.398 3.427 1.936 23 2HG2 ILE 3 HG22 ILE 3 9.131 4.391 2.690 24 3HG2 ILE 3 HG23 ILE 3 9.449 2.744 3.274 25 1HD1 ILE 3 HD11 ILE 3 10.446 2.495 -0.411 26 2HD1 ILE 3 HD12 ILE 3 10.112 0.813 -0.862 27 3HD1 ILE 3 HD13 ILE 3 8.930 2.084 -1.265 28 H VAL 4 H VAL 4 7.109 3.436 4.391 29 HA VAL 4 HA VAL 4 5.843 6.084 3.960 30 HB VAL 4 HB VAL 4 5.198 4.141 6.220 31 1HG1 VAL 4 HG11 VAL 4 3.183 5.603 6.535 32 2HG1 VAL 4 HG12 VAL 4 4.693 6.416 6.869 33 3HG1 VAL 4 HG13 VAL 4 3.849 6.725 5.329 34 1HG2 VAL 4 HG21 VAL 4 2.946 3.826 5.136 35 2HG2 VAL 4 HG22 VAL 4 3.587 4.615 3.680 36 3HG2 VAL 4 HG23 VAL 4 4.274 3.079 4.264 37 H LYS 5 H LYS 5 6.309 7.478 5.901 38 HA LYS 5 HA LYS 5 8.878 6.833 7.283 39 1HB LYS 5 HB2 LYS 5 9.005 8.691 5.541 40 2HB LYS 5 HB3 LYS 5 7.785 9.554 6.473 41 1HG LYS 5 HG2 LYS 5 9.866 10.528 7.023 42 2HG LYS 5 HG3 LYS 5 9.345 9.623 8.430 43 1HD LYS 5 HD2 LYS 5 11.765 9.377 7.994 44 2HD LYS 5 HD3 LYS 5 10.929 7.835 7.946 45 1HE LYS 5 HE2 LYS 5 12.556 7.928 6.143 46 2HE LYS 5 HE3 LYS 5 10.922 7.853 5.486 47 1HZ LYS 5 HZ1 LYS 5 11.058 10.248 5.046 48 2HZ LYS 5 HZ2 LYS 5 12.550 10.339 5.704 49 3HZ LYS 5 HZ3 LYS 5 12.308 9.494 4.334 50 H ALA 6 H ALA 6 8.752 7.299 9.544 51 HA ALA 6 HA ALA 6 6.179 8.337 10.613 52 1HB ALA 6 HB1 ALA 6 7.361 5.612 11.313 53 2HB ALA 6 HB2 ALA 6 5.980 6.370 12.125 54 3HB ALA 6 HB3 ALA 6 5.844 5.903 10.422 55 H THR 7 H THR 7 6.214 8.860 12.815 56 HA THR 7 HA THR 7 8.847 9.284 14.115 57 HB THR 7 HB THR 7 7.381 10.781 15.581 58 HG1 THR 7 HG1 THR 7 5.440 11.476 14.672 59 1HG2 THR 7 HG21 THR 7 7.618 11.590 12.637 60 2HG2 THR 7 HG22 THR 7 7.433 12.697 14.017 61 3HG2 THR 7 HG23 THR 7 8.905 11.723 13.857 62 H ASP 8 H ASP 8 8.648 8.940 16.519 63 HA ASP 8 HA ASP 8 7.881 6.504 17.365 64 1HB ASP 8 HB2 ASP 8 9.193 8.068 18.729 65 2HB ASP 8 HB3 ASP 8 7.794 9.120 18.920 66 H GLN 9 H GLN 9 5.728 9.364 17.393 67 HA GLN 9 HA GLN 9 3.613 7.903 18.703 68 1HB GLN 9 HB2 GLN 9 3.739 10.669 17.459 69 2HB GLN 9 HB3 GLN 9 2.323 10.039 18.308 70 1HG GLN 9 HG2 GLN 9 5.098 10.288 19.568 71 2HG GLN 9 HG3 GLN 9 3.813 11.475 19.737 72 1HE2 GLN 9 HE22 GLN 9 5.111 8.482 21.028 73 2HE2 GLN 9 HE21 GLN 9 3.791 8.182 22.136 74 H SER 10 H SER 10 4.362 8.796 15.346 75 HA SER 10 HA SER 10 1.793 7.969 14.274 76 1HB SER 10 HB2 SER 10 4.466 8.180 12.836 77 2HB SER 10 HB3 SER 10 2.850 8.200 12.115 78 HG SER 10 HG SER 10 4.220 10.181 13.570 79 H PHE 11 H PHE 11 4.884 6.380 14.948 80 HA PHE 11 HA PHE 11 4.894 4.275 13.253 81 1HB PHE 11 HB2 PHE 11 6.650 4.976 14.910 82 2HB PHE 11 HB3 PHE 11 5.736 4.180 16.181 83 HD1 PHE 11 HD1 PHE 11 7.684 3.724 13.057 84 HD2 PHE 11 HD2 PHE 11 5.839 1.751 16.423 85 HE1 PHE 11 HE1 PHE 11 8.931 1.667 12.528 86 HE2 PHE 11 HE2 PHE 11 7.087 -0.324 15.875 87 HZ PHE 11 HZ PHE 11 8.640 -0.376 13.947 88 H SER 12 H SER 12 3.263 4.193 16.493 89 HA SER 12 HA SER 12 2.472 1.518 16.314 90 1HB SER 12 HB2 SER 12 0.999 3.748 17.767 91 2HB SER 12 HB3 SER 12 1.034 2.024 18.190 92 HG SER 12 HG SER 12 2.480 3.299 19.458 93 H ALA 13 H ALA 13 0.834 4.430 15.088 94 HA ALA 13 HA ALA 13 -1.597 3.043 14.395 95 1HB ALA 13 HB1 ALA 13 -2.122 5.088 13.115 96 2HB ALA 13 HB2 ALA 13 -1.558 5.496 14.747 97 3HB ALA 13 HB3 ALA 13 -0.469 5.683 13.351 98 H GLU 14 H GLU 14 1.381 3.987 12.672 99 HA GLU 14 HA GLU 14 0.516 3.057 10.135 100 1HB GLU 14 HB2 GLU 14 3.308 3.492 11.279 101 2HB GLU 14 HB3 GLU 14 3.034 2.991 9.615 102 1HG GLU 14 HG2 GLU 14 2.062 5.575 10.887 103 2HG GLU 14 HG3 GLU 14 3.385 5.397 9.739 104 H THR 15 H THR 15 2.175 1.354 12.804 105 HA THR 15 HA THR 15 2.544 -1.020 11.235 106 HB THR 15 HB THR 15 3.362 -1.929 13.437 107 HG1 THR 15 HG1 THR 15 3.224 0.769 14.253 108 1HG2 THR 15 HG21 THR 15 5.397 -0.437 13.434 109 2HG2 THR 15 HG22 THR 15 4.947 -1.051 11.840 110 3HG2 THR 15 HG23 THR 15 4.581 0.627 12.280 111 H SER 16 H SER 16 -0.299 0.154 12.370 112 HA SER 16 HA SER 16 -1.306 -2.457 13.277 113 1HB SER 16 HB2 SER 16 -2.506 0.335 13.446 114 2HB SER 16 HB3 SER 16 -3.277 -1.144 14.043 115 HG SER 16 HG SER 16 -0.915 0.114 14.977 116 H GLU 17 H GLU 17 -0.647 -1.976 10.476 117 HA GLU 17 HA GLU 17 -3.289 -2.682 9.294 118 1HB GLU 17 HB2 GLU 17 -1.353 -0.638 8.149 119 2HB GLU 17 HB3 GLU 17 -2.718 -1.353 7.276 120 1HG GLU 17 HG2 GLU 17 -4.250 -0.468 9.081 121 2HG GLU 17 HG3 GLU 17 -2.868 0.415 9.747 122 H GLY 18 H GLY 18 -2.409 -4.875 9.611 123 1HA GLY 18 HA2 GLY 18 -1.922 -6.760 8.355 124 2HA GLY 18 HA3 GLY 18 -1.228 -5.745 7.089 125 H VAL 19 H VAL 19 0.568 -7.164 6.954 126 HA VAL 19 HA VAL 19 2.483 -7.319 9.197 127 HB VAL 19 HB VAL 19 2.875 -8.054 6.253 128 1HG1 VAL 19 HG11 VAL 19 5.026 -7.627 7.371 129 2HG1 VAL 19 HG12 VAL 19 4.537 -8.614 8.764 130 3HG1 VAL 19 HG13 VAL 19 4.822 -9.372 7.188 131 1HG2 VAL 19 HG21 VAL 19 2.669 -10.391 6.956 132 2HG2 VAL 19 HG22 VAL 19 2.340 -9.895 8.623 133 3HG2 VAL 19 HG23 VAL 19 1.170 -9.537 7.329 134 H VAL 20 H VAL 20 4.082 -5.818 9.483 135 HA VAL 20 HA VAL 20 4.560 -3.788 7.385 136 HB VAL 20 HB VAL 20 4.138 -3.205 10.350 137 1HG1 VAL 20 HG11 VAL 20 4.663 -1.399 7.949 138 2HG1 VAL 20 HG12 VAL 20 4.177 -0.812 9.549 139 3HG1 VAL 20 HG13 VAL 20 5.724 -1.639 9.347 140 1HG2 VAL 20 HG21 VAL 20 2.279 -2.882 7.960 141 2HG2 VAL 20 HG22 VAL 20 1.948 -3.625 9.532 142 3HG2 VAL 20 HG23 VAL 20 2.097 -1.873 9.387 143 H LEU 21 H LEU 21 6.720 -3.334 7.171 144 HA LEU 21 HA LEU 21 8.600 -4.662 9.091 145 1HB LEU 21 HB2 LEU 21 8.343 -5.777 6.876 146 2HB LEU 21 HB3 LEU 21 8.984 -4.321 6.095 147 HG LEU 21 HG LEU 21 10.394 -6.138 8.107 148 1HD1 LEU 21 HD11 LEU 21 10.054 -7.117 5.855 149 2HD1 LEU 21 HD12 LEU 21 10.886 -5.723 5.131 150 3HD1 LEU 21 HD13 LEU 21 11.761 -6.835 6.207 151 1HD2 LEU 21 HD21 LEU 21 11.440 -4.052 8.477 152 2HD2 LEU 21 HD22 LEU 21 12.471 -4.865 7.314 153 3HD2 LEU 21 HD23 LEU 21 11.371 -3.601 6.746 154 H ALA 22 H ALA 22 9.659 -3.179 10.196 155 HA ALA 22 HA ALA 22 9.608 -0.366 9.276 156 1HB ALA 22 HB1 ALA 22 8.617 -0.707 11.464 157 2HB ALA 22 HB2 ALA 22 10.035 -1.644 11.995 158 3HB ALA 22 HB3 ALA 22 10.198 0.093 11.669 159 H ASP 23 H ASP 23 11.526 0.794 9.194 160 HA ASP 23 HA ASP 23 14.096 -0.742 9.271 161 1HB ASP 23 HB2 ASP 23 13.480 -0.489 6.968 162 2HB ASP 23 HB3 ASP 23 13.046 1.207 7.200 163 H PHE 24 H PHE 24 14.765 -0.040 11.194 164 HA PHE 24 HA PHE 24 14.675 2.766 12.049 165 1HB PHE 24 HB2 PHE 24 15.863 0.226 13.247 166 2HB PHE 24 HB3 PHE 24 16.112 1.827 13.914 167 HD1 PHE 24 HD1 PHE 24 13.266 -0.434 12.833 168 HD2 PHE 24 HD2 PHE 24 14.631 2.629 15.552 169 HE1 PHE 24 HE1 PHE 24 11.069 -0.447 13.972 170 HE2 PHE 24 HE2 PHE 24 12.434 2.596 16.676 171 HZ PHE 24 HZ PHE 24 10.625 1.094 15.855 172 H TRP 25 H TRP 25 16.022 4.141 11.160 173 HA TRP 25 HA TRP 25 18.729 3.409 10.395 174 1HB TRP 25 HB2 TRP 25 18.356 3.142 8.217 175 2HB TRP 25 HB3 TRP 25 16.644 3.126 8.520 176 HD1 TRP 25 HD1 TRP 25 19.227 4.934 6.623 177 HE1 TRP 25 HE1 TRP 25 18.291 7.033 5.514 178 HE3 TRP 25 HE3 TRP 25 14.838 5.325 9.192 179 HZ2 TRP 25 HZ2 TRP 25 16.198 8.949 6.063 180 HZ3 TRP 25 HZ3 TRP 25 13.459 7.394 8.995 181 HH2 TRP 25 HH2 TRP 25 14.184 9.236 7.487 182 H ALA 26 H ALA 26 19.497 5.666 9.078 183 HA ALA 26 HA ALA 26 18.177 8.036 9.988 184 1HB ALA 26 HB1 ALA 26 20.107 9.072 11.091 185 2HB ALA 26 HB2 ALA 26 19.653 7.621 11.983 186 3HB ALA 26 HB3 ALA 26 21.070 7.580 10.904 187 HA PRO 27 HA PRO 27 19.931 8.715 5.970 188 1HB PRO 27 HB2 PRO 27 20.000 11.437 5.662 189 2HB PRO 27 HB3 PRO 27 18.515 10.446 5.617 190 1HG PRO 27 HG2 PRO 27 19.643 12.020 7.957 191 2HG PRO 27 HG3 PRO 27 17.945 11.954 7.386 192 1HD PRO 27 HD2 PRO 27 18.856 10.452 9.490 193 2HD PRO 27 HD3 PRO 27 17.599 9.845 8.371 194 H TRP 28 H TRP 28 21.634 9.842 8.784 195 HA TRP 28 HA TRP 28 24.066 10.510 7.411 196 1HB TRP 28 HB2 TRP 28 24.142 9.617 10.243 197 2HB TRP 28 HB3 TRP 28 24.919 10.990 9.468 198 HD1 TRP 28 HD1 TRP 28 22.157 10.034 11.618 199 HE1 TRP 28 HE1 TRP 28 20.366 11.838 11.939 200 HE3 TRP 28 HE3 TRP 28 23.699 13.281 8.000 201 HZ2 TRP 28 HZ2 TRP 28 19.720 14.427 10.774 202 HZ3 TRP 28 HZ3 TRP 28 22.465 15.396 7.596 203 HH2 TRP 28 HH2 TRP 28 20.478 15.977 8.975 204 H CYS 29 H CYS 29 22.479 7.543 7.984 205 HA CYS 29 HA CYS 29 24.569 5.787 8.697 206 1HB CYS 29 HB2 CYS 29 22.058 5.415 8.832 207 2HB CYS 29 HB3 CYS 29 22.054 5.243 7.101 208 H GLY 30 H GLY 30 25.721 4.270 7.421 209 1HA GLY 30 HA2 GLY 30 26.094 4.881 4.525 210 2HA GLY 30 HA3 GLY 30 27.203 3.983 5.564 211 HA PRO 31 HA PRO 31 25.530 0.179 4.390 212 1HB PRO 31 HB2 PRO 31 24.684 -1.271 6.615 213 2HB PRO 31 HB3 PRO 31 26.381 -1.011 6.117 214 1HG PRO 31 HG2 PRO 31 24.791 0.508 8.190 215 2HG PRO 31 HG3 PRO 31 26.479 -0.078 8.287 216 1HD PRO 31 HD2 PRO 31 25.878 2.495 7.699 217 2HD PRO 31 HD3 PRO 31 27.257 1.678 6.905 218 H CYS 32 H CYS 32 23.165 1.935 6.375 219 HA CYS 32 HA CYS 32 20.823 0.550 5.643 220 1HB CYS 32 HB2 CYS 32 21.052 3.560 5.877 221 2HB CYS 32 HB3 CYS 32 19.641 2.560 6.149 222 H LYS 33 H LYS 33 22.812 2.857 3.763 223 HA LYS 33 HA LYS 33 20.836 3.350 1.745 224 1HB LYS 33 HB2 LYS 33 23.856 3.567 1.463 225 2HB LYS 33 HB3 LYS 33 22.636 4.412 0.520 226 1HG LYS 33 HG2 LYS 33 23.220 4.850 3.486 227 2HG LYS 33 HG3 LYS 33 23.763 5.863 2.158 228 1HD LYS 33 HD2 LYS 33 21.489 6.569 1.660 229 2HD LYS 33 HD3 LYS 33 20.815 5.395 2.794 230 1HE LYS 33 HE2 LYS 33 20.820 7.697 3.739 231 2HE LYS 33 HE3 LYS 33 21.748 6.539 4.706 232 1HZ LYS 33 HZ1 LYS 33 22.807 8.738 4.330 233 2HZ LYS 33 HZ2 LYS 33 23.740 7.452 3.985 234 3HZ LYS 33 HZ3 LYS 33 23.054 8.341 2.757 235 H MET 34 H MET 34 23.025 0.657 2.346 236 HA MET 34 HA MET 34 23.061 -0.322 -0.356 237 1HB MET 34 HB2 MET 34 23.456 -1.870 2.229 238 2HB MET 34 HB3 MET 34 23.909 -2.392 0.606 239 1HG MET 34 HG2 MET 34 25.486 -0.433 0.487 240 2HG MET 34 HG3 MET 34 25.109 -0.080 2.170 241 1HE MET 34 HE1 MET 34 25.281 -2.136 4.046 242 2HE MET 34 HE2 MET 34 24.947 -3.535 3.007 243 3HE MET 34 HE3 MET 34 26.474 -3.448 3.905 244 H ILE 35 H ILE 35 21.043 -0.965 2.552 245 HA ILE 35 HA ILE 35 19.518 -2.945 1.087 246 HB ILE 35 HB ILE 35 20.152 -3.289 3.427 247 1HG1 ILE 35 HG12 ILE 35 17.166 -3.352 2.882 248 2HG1 ILE 35 HG13 ILE 35 18.351 -4.556 2.381 249 1HG2 ILE 35 HG21 ILE 35 18.108 -1.147 4.117 250 2HG2 ILE 35 HG22 ILE 35 18.985 -2.182 5.265 251 3HG2 ILE 35 HG23 ILE 35 19.877 -1.023 4.300 252 1HD1 ILE 35 HD11 ILE 35 18.831 -4.960 4.847 253 2HD1 ILE 35 HD12 ILE 35 17.456 -3.898 5.214 254 3HD1 ILE 35 HD13 ILE 35 17.201 -5.396 4.311 255 H ALA 36 H ALA 36 19.119 0.502 1.780 256 HA ALA 36 HA ALA 36 16.425 0.848 1.567 257 1HB ALA 36 HB1 ALA 36 18.581 2.575 0.297 258 2HB ALA 36 HB2 ALA 36 16.901 3.066 0.590 259 3HB ALA 36 HB3 ALA 36 17.961 2.674 1.957 260 HA PRO 37 HA PRO 37 16.151 0.646 -3.181 261 1HB PRO 37 HB2 PRO 37 18.065 -0.691 -4.656 262 2HB PRO 37 HB3 PRO 37 18.074 1.072 -4.353 263 1HG PRO 37 HG2 PRO 37 19.574 -1.085 -2.842 264 2HG PRO 37 HG3 PRO 37 20.205 0.473 -3.468 265 1HD PRO 37 HD2 PRO 37 19.478 0.209 -0.888 266 2HD PRO 37 HD3 PRO 37 19.094 1.705 -1.780 267 H VAL 38 H VAL 38 17.624 -2.022 -1.352 268 HA VAL 38 HA VAL 38 16.228 -4.094 -2.762 269 HB VAL 38 HB VAL 38 17.296 -4.258 0.078 270 1HG1 VAL 38 HG11 VAL 38 17.623 -6.631 -0.518 271 2HG1 VAL 38 HG12 VAL 38 15.930 -6.158 -0.652 272 3HG1 VAL 38 HG13 VAL 38 16.906 -6.333 -2.131 273 1HG2 VAL 38 HG21 VAL 38 19.406 -5.123 -0.907 274 2HG2 VAL 38 HG22 VAL 38 18.833 -4.677 -2.528 275 3HG2 VAL 38 HG23 VAL 38 19.160 -3.427 -1.308 276 H LEU 39 H LEU 39 15.517 -2.065 0.153 277 HA LEU 39 HA LEU 39 13.007 -3.307 0.691 278 1HB LEU 39 HB2 LEU 39 14.054 -0.515 1.291 279 2HB LEU 39 HB3 LEU 39 12.487 -1.089 1.845 280 HG LEU 39 HG LEU 39 15.080 -2.528 2.488 281 1HD1 LEU 39 HD11 LEU 39 15.188 -0.261 3.400 282 2HD1 LEU 39 HD12 LEU 39 13.599 -0.463 4.168 283 3HD1 LEU 39 HD13 LEU 39 14.987 -1.442 4.702 284 1HD2 LEU 39 HD21 LEU 39 13.776 -3.592 4.280 285 2HD2 LEU 39 HD22 LEU 39 12.333 -2.666 3.817 286 3HD2 LEU 39 HD23 LEU 39 12.996 -3.895 2.723 287 H GLU 40 H GLU 40 13.898 -0.583 -1.497 288 HA GLU 40 HA GLU 40 11.221 -0.124 -2.362 289 1HB GLU 40 HB2 GLU 40 13.838 0.245 -3.856 290 2HB GLU 40 HB3 GLU 40 12.261 0.722 -4.485 291 1HG GLU 40 HG2 GLU 40 11.908 2.195 -2.523 292 2HG GLU 40 HG3 GLU 40 13.501 1.764 -1.904 293 H GLU 41 H GLU 41 13.640 -2.492 -3.546 294 HA GLU 41 HA GLU 41 11.919 -3.595 -5.536 295 1HB GLU 41 HB2 GLU 41 14.323 -4.721 -4.063 296 2HB GLU 41 HB3 GLU 41 13.438 -5.632 -5.294 297 1HG GLU 41 HG2 GLU 41 13.855 -3.898 -6.966 298 2HG GLU 41 HG3 GLU 41 14.677 -2.889 -5.786 299 H LEU 42 H LEU 42 12.330 -4.354 -2.081 300 HA LEU 42 HA LEU 42 10.575 -6.578 -2.005 301 1HB LEU 42 HB2 LEU 42 12.169 -5.899 -0.167 302 2HB LEU 42 HB3 LEU 42 11.120 -4.530 0.194 303 HG LEU 42 HG LEU 42 9.241 -6.152 0.674 304 1HD1 LEU 42 HD11 LEU 42 11.479 -8.211 0.391 305 2HD1 LEU 42 HD12 LEU 42 9.900 -8.520 1.146 306 3HD1 LEU 42 HD13 LEU 42 9.988 -8.111 -0.571 307 1HD2 LEU 42 HD21 LEU 42 10.215 -6.874 2.870 308 2HD2 LEU 42 HD22 LEU 42 11.800 -6.311 2.293 309 3HD2 LEU 42 HD23 LEU 42 10.473 -5.165 2.492 310 H ASP 43 H ASP 43 9.960 -3.058 -1.586 311 HA ASP 43 HA ASP 43 7.202 -3.195 -1.037 312 1HB ASP 43 HB2 ASP 43 8.641 -1.126 -0.938 313 2HB ASP 43 HB3 ASP 43 8.613 -1.074 -2.712 314 H GLN 44 H GLN 44 8.952 -3.079 -4.135 315 HA GLN 44 HA GLN 44 6.580 -3.087 -5.744 316 1HB GLN 44 HB2 GLN 44 9.502 -3.633 -6.357 317 2HB GLN 44 HB3 GLN 44 8.245 -3.574 -7.601 318 1HG GLN 44 HG2 GLN 44 7.708 -1.278 -7.116 319 2HG GLN 44 HG3 GLN 44 8.683 -1.264 -5.647 320 1HE2 GLN 44 HE22 GLN 44 10.986 -1.321 -5.815 321 2HE2 GLN 44 HE21 GLN 44 11.817 -0.807 -7.285 322 H GLU 45 H GLU 45 7.998 -5.641 -3.963 323 HA GLU 45 HA GLU 45 6.879 -7.761 -5.709 324 1HB GLU 45 HB2 GLU 45 8.923 -7.690 -3.461 325 2HB GLU 45 HB3 GLU 45 8.244 -9.203 -4.056 326 1HG GLU 45 HG2 GLU 45 9.641 -7.187 -5.853 327 2HG GLU 45 HG3 GLU 45 10.465 -8.537 -5.075 328 H MET 46 H MET 46 6.550 -6.267 -2.518 329 HA MET 46 HA MET 46 4.396 -8.238 -1.858 330 1HB MET 46 HB2 MET 46 6.387 -6.945 0.041 331 2HB MET 46 HB3 MET 46 5.171 -8.166 0.419 332 1HG MET 46 HG2 MET 46 6.461 -9.575 -1.441 333 2HG MET 46 HG3 MET 46 7.773 -8.459 -1.069 334 1HE MET 46 HE1 MET 46 5.898 -11.571 -0.277 335 2HE MET 46 HE2 MET 46 6.035 -11.844 1.477 336 3HE MET 46 HE3 MET 46 4.959 -10.562 0.851 337 H GLY 47 H GLY 47 4.797 -4.946 -2.492 338 1HA GLY 47 HA2 GLY 47 3.665 -3.564 -0.434 339 2HA GLY 47 HA3 GLY 47 3.482 -3.143 -2.136 340 H ASP 48 H ASP 48 1.910 -5.886 -2.273 341 HA ASP 48 HA ASP 48 -0.749 -4.783 -2.059 342 1HB ASP 48 HB2 ASP 48 -0.160 -6.415 -3.790 343 2HB ASP 48 HB3 ASP 48 0.266 -7.604 -2.555 344 H LYS 49 H LYS 49 1.362 -6.760 -0.043 345 HA LYS 49 HA LYS 49 -0.733 -7.007 2.074 346 1HB LYS 49 HB2 LYS 49 1.575 -8.858 1.277 347 2HB LYS 49 HB3 LYS 49 0.582 -9.083 2.712 348 1HG LYS 49 HG2 LYS 49 -0.549 -9.018 -0.109 349 2HG LYS 49 HG3 LYS 49 -0.056 -10.497 0.724 350 1HD LYS 49 HD2 LYS 49 -1.645 -10.042 2.559 351 2HD LYS 49 HD3 LYS 49 -2.227 -8.590 1.743 352 1HE LYS 49 HE2 LYS 49 -2.302 -11.337 0.437 353 2HE LYS 49 HE3 LYS 49 -3.578 -10.781 1.525 354 1HZ LYS 49 HZ1 LYS 49 -2.803 -9.343 -0.960 355 2HZ LYS 49 HZ2 LYS 49 -4.090 -10.343 -0.804 356 3HZ LYS 49 HZ3 LYS 49 -4.030 -8.959 0.052 357 H LEU 50 H LEU 50 2.413 -5.742 1.303 358 HA LEU 50 HA LEU 50 3.127 -5.607 4.175 359 1HB LEU 50 HB2 LEU 50 4.589 -6.963 2.703 360 2HB LEU 50 HB3 LEU 50 4.801 -5.556 1.646 361 HG LEU 50 HG LEU 50 5.928 -4.332 3.500 362 1HD1 LEU 50 HD11 LEU 50 5.682 -7.010 4.940 363 2HD1 LEU 50 HD12 LEU 50 6.699 -5.646 5.456 364 3HD1 LEU 50 HD13 LEU 50 4.953 -5.471 5.442 365 1HD2 LEU 50 HD21 LEU 50 7.239 -5.460 1.829 366 2HD2 LEU 50 HD22 LEU 50 8.016 -5.663 3.407 367 3HD2 LEU 50 HD23 LEU 50 7.097 -7.009 2.683 368 H LYS 51 H LYS 51 3.712 -3.735 5.045 369 HA LYS 51 HA LYS 51 3.832 -1.243 3.392 370 1HB LYS 51 HB2 LYS 51 1.905 -1.250 5.029 371 2HB LYS 51 HB3 LYS 51 3.054 -1.546 6.328 372 1HG LYS 51 HG2 LYS 51 4.222 0.630 5.678 373 2HG LYS 51 HG3 LYS 51 2.888 0.934 4.562 374 1HD LYS 51 HD2 LYS 51 2.614 0.511 7.574 375 2HD LYS 51 HD3 LYS 51 2.737 2.087 6.788 376 1HE LYS 51 HE2 LYS 51 0.668 1.591 5.474 377 2HE LYS 51 HE3 LYS 51 0.513 0.045 6.333 378 1HZ LYS 51 HZ1 LYS 51 0.348 1.279 8.391 379 2HZ LYS 51 HZ2 LYS 51 0.511 2.720 7.608 380 3HZ LYS 51 HZ3 LYS 51 -0.832 1.793 7.358 381 H ILE 52 H ILE 52 5.744 0.008 3.878 382 HA ILE 52 HA ILE 52 7.680 -1.331 5.694 383 HB ILE 52 HB ILE 52 8.254 -0.021 3.033 384 1HG1 ILE 52 HG12 ILE 52 8.724 -2.872 4.029 385 2HG1 ILE 52 HG13 ILE 52 7.434 -2.375 2.934 386 1HG2 ILE 52 HG21 ILE 52 10.646 -0.449 3.470 387 2HG2 ILE 52 HG22 ILE 52 9.995 0.624 4.694 388 3HG2 ILE 52 HG23 ILE 52 10.253 -1.092 5.079 389 1HD1 ILE 52 HD11 ILE 52 9.092 -3.349 1.570 390 2HD1 ILE 52 HD12 ILE 52 9.190 -1.602 1.293 391 3HD1 ILE 52 HD13 ILE 52 10.396 -2.415 2.316 392 H VAL 53 H VAL 53 8.620 0.088 7.201 393 HA VAL 53 HA VAL 53 7.640 2.924 7.097 394 HB VAL 53 HB VAL 53 7.408 0.972 9.419 395 1HG1 VAL 53 HG11 VAL 53 8.008 3.214 10.281 396 2HG1 VAL 53 HG12 VAL 53 6.742 3.952 9.276 397 3HG1 VAL 53 HG13 VAL 53 6.312 2.865 10.619 398 1HG2 VAL 53 HG21 VAL 53 4.990 1.439 9.224 399 2HG2 VAL 53 HG22 VAL 53 5.289 2.467 7.808 400 3HG2 VAL 53 HG23 VAL 53 5.617 0.728 7.732 401 H LYS 54 H LYS 54 9.530 3.970 6.702 402 HA LYS 54 HA LYS 54 12.016 3.171 8.066 403 1HB LYS 54 HB2 LYS 54 11.362 5.645 6.405 404 2HB LYS 54 HB3 LYS 54 12.968 5.164 6.981 405 1HG LYS 54 HG2 LYS 54 12.770 3.041 5.654 406 2HG LYS 54 HG3 LYS 54 11.211 3.590 5.036 407 1HD LYS 54 HD2 LYS 54 12.912 3.988 3.383 408 2HD LYS 54 HD3 LYS 54 12.304 5.544 3.972 409 1HE LYS 54 HE2 LYS 54 14.272 5.799 5.426 410 2HE LYS 54 HE3 LYS 54 14.838 4.176 4.988 411 1HZ LYS 54 HZ1 LYS 54 16.004 5.878 3.738 412 2HZ LYS 54 HZ2 LYS 54 15.129 4.966 2.710 413 3HZ LYS 54 HZ3 LYS 54 14.617 6.466 3.110 414 H ILE 55 H ILE 55 12.836 4.157 9.938 415 HA ILE 55 HA ILE 55 11.467 6.548 10.971 416 HB ILE 55 HB ILE 55 10.169 4.843 11.959 417 1HG1 ILE 55 HG12 ILE 55 12.102 5.763 14.118 418 2HG1 ILE 55 HG13 ILE 55 10.964 6.844 13.310 419 1HG2 ILE 55 HG21 ILE 55 11.011 3.041 13.389 420 2HG2 ILE 55 HG22 ILE 55 11.665 2.880 11.762 421 3HG2 ILE 55 HG23 ILE 55 12.681 3.534 13.066 422 1HD1 ILE 55 HD11 ILE 55 9.064 5.456 14.077 423 2HD1 ILE 55 HD12 ILE 55 10.198 4.404 14.959 424 3HD1 ILE 55 HD13 ILE 55 10.017 6.105 15.420 425 H ASP 56 H ASP 56 12.820 7.962 11.769 426 HA ASP 56 HA ASP 56 15.657 7.451 11.344 427 1HB ASP 56 HB2 ASP 56 14.600 9.406 10.368 428 2HB ASP 56 HB3 ASP 56 14.134 9.992 11.968 429 H VAL 57 H VAL 57 16.763 6.570 13.061 430 HA VAL 57 HA VAL 57 15.842 6.725 15.749 431 HB VAL 57 HB VAL 57 17.930 5.661 16.378 432 1HG1 VAL 57 HG11 VAL 57 16.875 4.473 13.776 433 2HG1 VAL 57 HG12 VAL 57 17.683 3.615 15.105 434 3HG1 VAL 57 HG13 VAL 57 16.088 4.344 15.361 435 1HG2 VAL 57 HG21 VAL 57 19.547 6.846 14.922 436 2HG2 VAL 57 HG22 VAL 57 19.686 5.091 14.775 437 3HG2 VAL 57 HG23 VAL 57 18.875 6.020 13.504 438 H ASP 58 H ASP 58 17.650 9.097 13.905 439 HA ASP 58 HA ASP 58 19.010 10.295 16.160 440 1HB ASP 58 HB2 ASP 58 19.707 10.599 13.789 441 2HB ASP 58 HB3 ASP 58 18.235 11.539 13.502 442 H GLU 59 H GLU 59 15.692 10.279 15.164 443 HA GLU 59 HA GLU 59 15.106 12.511 17.077 444 1HB GLU 59 HB2 GLU 59 13.693 11.824 14.470 445 2HB GLU 59 HB3 GLU 59 13.142 13.021 15.650 446 1HG GLU 59 HG2 GLU 59 15.359 14.218 15.358 447 2HG GLU 59 HG3 GLU 59 15.691 13.144 13.997 448 H ASN 60 H ASN 60 14.942 9.211 16.772 449 HA ASN 60 HA ASN 60 12.382 9.006 18.292 450 1HB ASN 60 HB2 ASN 60 13.127 7.359 15.845 451 2HB ASN 60 HB3 ASN 60 11.739 7.085 16.887 452 1HD2 ASN 60 HD22 ASN 60 12.982 9.046 14.286 453 2HD2 ASN 60 HD21 ASN 60 11.517 9.982 14.030 454 H GLN 61 H GLN 61 14.929 8.978 19.470 455 HA GLN 61 HA GLN 61 16.065 6.452 19.906 456 1HB GLN 61 HB2 GLN 61 15.694 8.725 21.915 457 2HB GLN 61 HB3 GLN 61 16.768 7.342 22.099 458 1HG GLN 61 HG2 GLN 61 18.317 8.782 21.294 459 2HG GLN 61 HG3 GLN 61 17.723 8.160 19.756 460 1HE2 GLN 61 HE22 GLN 61 17.189 9.666 18.267 461 2HE2 GLN 61 HE21 GLN 61 16.915 11.365 18.593 462 H GLU 62 H GLU 62 13.039 7.802 21.235 463 HA GLU 62 HA GLU 62 12.758 5.933 23.355 464 1HB GLU 62 HB2 GLU 62 10.652 7.454 21.751 465 2HB GLU 62 HB3 GLU 62 10.314 6.558 23.232 466 1HG GLU 62 HG2 GLU 62 12.192 8.953 23.001 467 2HG GLU 62 HG3 GLU 62 10.546 8.991 23.615 468 H THR 63 H THR 63 11.513 5.810 19.944 469 HA THR 63 HA THR 63 10.222 3.303 20.301 470 HB THR 63 HB THR 63 11.238 4.155 17.647 471 HG1 THR 63 HG1 THR 63 9.366 5.682 19.123 472 1HG2 THR 63 HG21 THR 63 8.967 3.687 16.877 473 2HG2 THR 63 HG22 THR 63 9.586 2.325 17.814 474 3HG2 THR 63 HG23 THR 63 8.424 3.442 18.556 475 H ALA 64 H ALA 64 13.463 4.282 19.102 476 HA ALA 64 HA ALA 64 14.434 1.701 18.426 477 1HB ALA 64 HB1 ALA 64 15.631 3.791 17.861 478 2HB ALA 64 HB2 ALA 64 15.895 4.132 19.584 479 3HB ALA 64 HB3 ALA 64 16.691 2.752 18.833 480 H GLY 65 H GLY 65 14.523 3.444 21.577 481 1HA GLY 65 HA2 GLY 65 15.772 1.426 23.104 482 2HA GLY 65 HA3 GLY 65 14.697 2.701 23.710 483 H LYS 66 H LYS 66 12.393 1.777 22.055 484 HA LYS 66 HA LYS 66 11.080 0.091 23.843 485 1HB LYS 66 HB2 LYS 66 10.180 1.619 21.966 486 2HB LYS 66 HB3 LYS 66 10.432 0.246 20.889 487 1HG LYS 66 HG2 LYS 66 8.868 -1.127 22.090 488 2HG LYS 66 HG3 LYS 66 8.776 0.034 23.434 489 1HD LYS 66 HD2 LYS 66 7.752 1.708 21.988 490 2HD LYS 66 HD3 LYS 66 7.900 0.635 20.579 491 1HE LYS 66 HE2 LYS 66 6.415 -1.022 21.684 492 2HE LYS 66 HE3 LYS 66 6.281 0.031 23.099 493 1HZ LYS 66 HZ1 LYS 66 5.200 1.684 21.694 494 2HZ LYS 66 HZ2 LYS 66 5.327 0.719 20.377 495 3HZ LYS 66 HZ3 LYS 66 4.384 0.276 21.630 496 H TYR 67 H TYR 67 13.159 -0.781 21.094 497 HA TYR 67 HA TYR 67 12.788 -3.663 21.819 498 1HB TYR 67 HB2 TYR 67 13.738 -2.812 19.111 499 2HB TYR 67 HB3 TYR 67 12.931 -4.290 19.595 500 HD1 TYR 67 HD1 TYR 67 12.569 -0.839 18.466 501 HD2 TYR 67 HD2 TYR 67 10.406 -4.244 20.000 502 HE1 TYR 67 HE1 TYR 67 10.472 0.260 17.885 503 HE2 TYR 67 HE2 TYR 67 8.266 -3.169 19.361 504 HH TYR 67 HH TYR 67 7.248 -1.280 18.477 505 H GLY 68 H GLY 68 14.869 -1.347 22.557 506 1HA GLY 68 HA2 GLY 68 17.083 -1.242 23.069 507 2HA GLY 68 HA3 GLY 68 17.136 -3.008 22.941 508 H VAL 69 H VAL 69 16.277 -0.787 20.255 509 HA VAL 69 HA VAL 69 18.314 -1.868 18.495 510 HB VAL 69 HB VAL 69 16.605 0.645 18.257 511 1HG1 VAL 69 HG11 VAL 69 18.503 0.781 16.740 512 2HG1 VAL 69 HG12 VAL 69 18.214 -0.874 16.174 513 3HG1 VAL 69 HG13 VAL 69 17.048 0.419 15.811 514 1HG2 VAL 69 HG21 VAL 69 16.084 -2.168 17.234 515 2HG2 VAL 69 HG22 VAL 69 15.120 -1.238 18.401 516 3HG2 VAL 69 HG23 VAL 69 15.180 -0.721 16.724 517 H MET 70 H MET 70 20.416 -1.319 18.549 518 HA MET 70 HA MET 70 21.286 1.350 19.556 519 1HB MET 70 HB2 MET 70 22.343 -1.394 20.341 520 2HB MET 70 HB3 MET 70 23.186 0.120 20.690 521 1HG MET 70 HG2 MET 70 21.256 0.937 21.979 522 2HG MET 70 HG3 MET 70 20.414 -0.586 21.713 523 1HE MET 70 HE1 MET 70 22.342 -3.151 23.883 524 2HE MET 70 HE2 MET 70 20.919 -2.830 22.870 525 3HE MET 70 HE3 MET 70 22.540 -2.880 22.140 526 H SER 71 H SER 71 21.138 -0.513 16.902 527 HA SER 71 HA SER 71 23.501 0.642 15.678 528 1HB SER 71 HB2 SER 71 22.807 -2.328 15.427 529 2HB SER 71 HB3 SER 71 24.096 -1.479 14.563 530 HG SER 71 HG SER 71 23.911 -1.973 17.358 531 H ILE 72 H ILE 72 23.187 0.495 13.223 532 HA ILE 72 HA ILE 72 20.493 -0.144 12.337 533 HB ILE 72 HB ILE 72 20.280 1.985 11.087 534 1HG1 ILE 72 HG12 ILE 72 22.455 3.089 12.915 535 2HG1 ILE 72 HG13 ILE 72 22.683 2.702 11.208 536 1HG2 ILE 72 HG21 ILE 72 19.095 1.503 13.265 537 2HG2 ILE 72 HG22 ILE 72 20.328 2.476 14.087 538 3HG2 ILE 72 HG23 ILE 72 19.260 3.214 12.878 539 1HD1 ILE 72 HD11 ILE 72 22.289 5.076 11.429 540 2HD1 ILE 72 HD12 ILE 72 20.908 4.330 10.603 541 3HD1 ILE 72 HD13 ILE 72 20.776 4.806 12.309 542 HA PRO 73 HA PRO 73 19.529 0.291 9.953 543 1HB PRO 73 HB2 PRO 73 18.993 -1.651 8.109 544 2HB PRO 73 HB3 PRO 73 19.682 -0.061 7.679 545 1HG PRO 73 HG2 PRO 73 21.141 -2.685 8.090 546 2HG PRO 73 HG3 PRO 73 21.345 -1.508 6.757 547 1HD PRO 73 HD2 PRO 73 23.017 -1.570 8.922 548 2HD PRO 73 HD3 PRO 73 22.570 -0.034 8.127 549 H THR 74 H THR 74 17.954 -0.657 11.179 550 HA THR 74 HA THR 74 18.274 -3.529 11.918 551 HB THR 74 HB THR 74 17.723 -1.217 13.811 552 HG1 THR 74 HG1 THR 74 19.729 -1.531 14.254 553 1HG2 THR 74 HG21 THR 74 17.398 -4.227 14.198 554 2HG2 THR 74 HG22 THR 74 17.620 -3.097 15.550 555 3HG2 THR 74 HG23 THR 74 16.208 -2.947 14.496 556 H LEU 75 H LEU 75 16.419 -4.668 11.823 557 HA LEU 75 HA LEU 75 14.150 -3.243 10.545 558 1HB LEU 75 HB2 LEU 75 15.546 -5.856 9.951 559 2HB LEU 75 HB3 LEU 75 13.839 -5.651 9.571 560 HG LEU 75 HG LEU 75 14.299 -3.761 8.108 561 1HD1 LEU 75 HD11 LEU 75 16.645 -3.249 7.388 562 2HD1 LEU 75 HD12 LEU 75 16.239 -2.686 8.997 563 3HD1 LEU 75 HD13 LEU 75 17.234 -4.157 8.799 564 1HD2 LEU 75 HD21 LEU 75 14.381 -6.137 7.281 565 2HD2 LEU 75 HD22 LEU 75 15.343 -5.014 6.310 566 3HD2 LEU 75 HD23 LEU 75 16.144 -6.104 7.467 567 H LEU 76 H LEU 76 12.237 -3.489 11.549 568 HA LEU 76 HA LEU 76 11.918 -5.626 13.654 569 1HB LEU 76 HB2 LEU 76 10.993 -2.724 13.621 570 2HB LEU 76 HB3 LEU 76 10.150 -3.943 14.545 571 HG LEU 76 HG LEU 76 11.695 -2.520 15.883 572 1HD1 LEU 76 HD11 LEU 76 11.012 -4.651 16.757 573 2HD1 LEU 76 HD12 LEU 76 12.257 -5.514 15.833 574 3HD1 LEU 76 HD13 LEU 76 12.720 -4.420 17.145 575 1HD2 LEU 76 HD21 LEU 76 13.995 -4.060 14.648 576 2HD2 LEU 76 HD22 LEU 76 13.556 -2.411 14.166 577 3HD2 LEU 76 HD23 LEU 76 14.047 -2.749 15.836 578 H VAL 77 H VAL 77 9.907 -6.697 13.509 579 HA VAL 77 HA VAL 77 8.346 -6.064 11.041 580 HB VAL 77 HB VAL 77 8.778 -8.855 12.084 581 1HG1 VAL 77 HG11 VAL 77 8.191 -9.452 9.743 582 2HG1 VAL 77 HG12 VAL 77 6.915 -8.511 10.531 583 3HG1 VAL 77 HG13 VAL 77 7.999 -7.729 9.358 584 1HG2 VAL 77 HG21 VAL 77 10.481 -9.215 10.312 585 2HG2 VAL 77 HG22 VAL 77 10.544 -7.460 10.031 586 3HG2 VAL 77 HG23 VAL 77 11.056 -8.152 11.590 587 H LEU 78 H LEU 78 6.234 -5.850 11.443 588 HA LEU 78 HA LEU 78 5.225 -6.575 14.138 589 1HB LEU 78 HB2 LEU 78 4.795 -3.914 12.700 590 2HB LEU 78 HB3 LEU 78 4.065 -4.422 14.215 591 HG LEU 78 HG LEU 78 6.718 -4.751 14.845 592 1HD1 LEU 78 HD11 LEU 78 8.020 -2.854 14.084 593 2HD1 LEU 78 HD12 LEU 78 7.552 -3.854 12.707 594 3HD1 LEU 78 HD13 LEU 78 6.704 -2.334 13.014 595 1HD2 LEU 78 HD21 LEU 78 6.600 -2.699 16.101 596 2HD2 LEU 78 HD22 LEU 78 5.224 -2.128 15.126 597 3HD2 LEU 78 HD23 LEU 78 5.050 -3.539 16.187 598 H LYS 79 H LYS 79 3.025 -7.054 14.179 599 HA LYS 79 HA LYS 79 1.664 -7.269 11.528 600 1HB LYS 79 HB2 LYS 79 2.608 -9.443 11.885 601 2HB LYS 79 HB3 LYS 79 2.085 -9.479 13.569 602 1HG LYS 79 HG2 LYS 79 0.755 -10.941 12.136 603 2HG LYS 79 HG3 LYS 79 -0.243 -9.712 12.919 604 1HD LYS 79 HD2 LYS 79 -0.339 -8.421 10.818 605 2HD LYS 79 HD3 LYS 79 0.733 -9.574 10.035 606 1HE LYS 79 HE2 LYS 79 -2.055 -10.171 11.122 607 2HE LYS 79 HE3 LYS 79 -1.653 -9.877 9.430 608 1HZ LYS 79 HZ1 LYS 79 -0.216 -11.881 9.517 609 2HZ LYS 79 HZ2 LYS 79 -0.736 -12.182 11.042 610 3HZ LYS 79 HZ3 LYS 79 -1.792 -12.212 9.805 611 H ASP 80 H ASP 80 -0.048 -6.074 11.685 612 HA ASP 80 HA ASP 80 -1.898 -5.042 12.401 613 1HB ASP 80 HB2 ASP 80 -2.634 -7.390 12.209 614 2HB ASP 80 HB3 ASP 80 -2.329 -7.629 13.930 615 H GLY 81 H GLY 81 0.418 -4.334 13.881 616 1HA GLY 81 HA2 GLY 81 0.359 -2.469 15.280 617 2HA GLY 81 HA3 GLY 81 -0.958 -3.156 16.222 618 H GLU 82 H GLU 82 1.233 -5.729 15.985 619 HA GLU 82 HA GLU 82 2.792 -4.769 18.331 620 1HB GLU 82 HB2 GLU 82 2.332 -6.742 19.498 621 2HB GLU 82 HB3 GLU 82 0.784 -6.155 18.871 622 1HG GLU 82 HG2 GLU 82 0.877 -7.849 17.062 623 2HG GLU 82 HG3 GLU 82 2.405 -8.456 17.705 624 H VAL 83 H VAL 83 4.886 -5.575 18.539 625 HA VAL 83 HA VAL 83 6.226 -6.316 16.086 626 HB VAL 83 HB VAL 83 7.208 -4.870 17.807 627 1HG1 VAL 83 HG11 VAL 83 7.522 -7.354 19.534 628 2HG1 VAL 83 HG12 VAL 83 8.177 -5.741 19.857 629 3HG1 VAL 83 HG13 VAL 83 6.429 -5.996 19.874 630 1HG2 VAL 83 HG21 VAL 83 9.456 -5.867 17.771 631 2HG2 VAL 83 HG22 VAL 83 8.779 -7.400 17.204 632 3HG2 VAL 83 HG23 VAL 83 8.648 -5.939 16.193 633 H VAL 84 H VAL 84 6.630 -8.145 15.262 634 HA VAL 84 HA VAL 84 6.214 -10.614 16.855 635 HB VAL 84 HB VAL 84 4.369 -9.988 15.319 636 1HG1 VAL 84 HG11 VAL 84 5.514 -8.926 13.484 637 2HG1 VAL 84 HG12 VAL 84 6.412 -10.403 13.104 638 3HG1 VAL 84 HG13 VAL 84 4.656 -10.338 12.872 639 1HG2 VAL 84 HG21 VAL 84 4.678 -12.295 16.001 640 2HG2 VAL 84 HG22 VAL 84 4.050 -12.194 14.350 641 3HG2 VAL 84 HG23 VAL 84 5.761 -12.588 14.630 642 H GLU 85 H GLU 85 8.531 -8.828 14.794 643 HA GLU 85 HA GLU 85 10.416 -10.999 15.349 644 1HB GLU 85 HB2 GLU 85 9.069 -10.899 12.783 645 2HB GLU 85 HB3 GLU 85 10.765 -10.550 12.528 646 1HG GLU 85 HG2 GLU 85 9.753 -12.997 14.042 647 2HG GLU 85 HG3 GLU 85 10.053 -12.952 12.314 648 H THR 86 H THR 86 12.657 -10.447 14.437 649 HA THR 86 HA THR 86 13.149 -7.581 13.968 650 HB THR 86 HB THR 86 14.514 -9.151 16.186 651 HG1 THR 86 HG1 THR 86 12.142 -7.890 16.170 652 1HG2 THR 86 HG21 THR 86 15.245 -6.875 16.972 653 2HG2 THR 86 HG22 THR 86 15.945 -7.351 15.422 654 3HG2 THR 86 HG23 THR 86 14.601 -6.193 15.461 655 H SER 87 H SER 87 15.215 -7.249 12.932 656 HA SER 87 HA SER 87 17.110 -9.437 12.581 657 1HB SER 87 HB2 SER 87 15.587 -8.181 10.245 658 2HB SER 87 HB3 SER 87 17.087 -9.108 10.067 659 HG SER 87 HG SER 87 15.132 -10.316 11.590 660 H VAL 88 H VAL 88 19.204 -8.521 11.738 661 HA VAL 88 HA VAL 88 19.374 -5.552 11.946 662 HB VAL 88 HB VAL 88 21.218 -7.528 13.329 663 1HG1 VAL 88 HG11 VAL 88 21.036 -4.486 13.480 664 2HG1 VAL 88 HG12 VAL 88 22.089 -5.499 14.488 665 3HG1 VAL 88 HG13 VAL 88 22.352 -5.428 12.746 666 1HG2 VAL 88 HG21 VAL 88 19.076 -7.564 14.540 667 2HG2 VAL 88 HG22 VAL 88 20.278 -6.683 15.475 668 3HG2 VAL 88 HG23 VAL 88 19.043 -5.789 14.567 669 H GLY 89 H GLY 89 20.874 -4.630 10.535 670 1HA GLY 89 HA2 GLY 89 22.645 -4.533 9.055 671 2HA GLY 89 HA3 GLY 89 22.889 -6.275 9.193 672 H PHE 90 H PHE 90 23.208 -5.687 6.781 673 HA PHE 90 HA PHE 90 20.999 -5.196 5.050 674 1HB PHE 90 HB2 PHE 90 23.351 -4.841 4.435 675 2HB PHE 90 HB3 PHE 90 23.688 -6.558 4.608 676 HD1 PHE 90 HD1 PHE 90 22.148 -3.971 2.468 677 HD2 PHE 90 HD2 PHE 90 22.963 -8.187 2.899 678 HE1 PHE 90 HE1 PHE 90 21.545 -4.338 0.087 679 HE2 PHE 90 HE2 PHE 90 22.343 -8.546 0.524 680 HZ PHE 90 HZ PHE 90 21.628 -6.623 -0.883 681 H LYS 91 H LYS 91 19.826 -6.692 3.689 682 HA LYS 91 HA LYS 91 20.293 -9.541 3.896 683 1HB LYS 91 HB2 LYS 91 17.611 -8.320 4.720 684 2HB LYS 91 HB3 LYS 91 17.722 -9.910 3.994 685 1HG LYS 91 HG2 LYS 91 17.797 -10.606 6.133 686 2HG LYS 91 HG3 LYS 91 19.521 -10.348 5.895 687 1HD LYS 91 HD2 LYS 91 18.979 -7.898 6.796 688 2HD LYS 91 HD3 LYS 91 17.469 -8.608 7.323 689 1HE LYS 91 HE2 LYS 91 19.059 -8.563 9.142 690 2HE LYS 91 HE3 LYS 91 18.705 -10.247 8.726 691 1HZ LYS 91 HZ1 LYS 91 21.028 -9.024 7.448 692 2HZ LYS 91 HZ2 LYS 91 21.132 -9.277 9.066 693 3HZ LYS 91 HZ3 LYS 91 20.851 -10.542 8.045 694 HA PRO 92 HA PRO 92 19.033 -8.758 -0.373 695 1HB PRO 92 HB2 PRO 92 18.661 -11.304 -1.290 696 2HB PRO 92 HB3 PRO 92 20.285 -10.638 -0.939 697 1HG PRO 92 HG2 PRO 92 18.568 -12.392 0.842 698 2HG PRO 92 HG3 PRO 92 20.305 -12.584 0.444 699 1HD PRO 92 HD2 PRO 92 19.448 -11.366 2.748 700 2HD PRO 92 HD3 PRO 92 20.927 -10.839 1.893 701 H LYS 93 H LYS 93 17.082 -8.891 -1.651 702 HA LYS 93 HA LYS 93 14.707 -8.588 -0.188 703 1HB LYS 93 HB2 LYS 93 13.552 -8.600 -2.379 704 2HB LYS 93 HB3 LYS 93 14.928 -7.515 -2.299 705 1HG LYS 93 HG2 LYS 93 16.298 -9.365 -3.469 706 2HG LYS 93 HG3 LYS 93 14.750 -10.193 -3.728 707 1HD LYS 93 HD2 LYS 93 13.908 -8.154 -4.905 708 2HD LYS 93 HD3 LYS 93 15.501 -7.384 -4.647 709 1HE LYS 93 HE2 LYS 93 16.603 -9.115 -5.976 710 2HE LYS 93 HE3 LYS 93 15.108 -10.053 -6.096 711 1HZ LYS 93 HZ1 LYS 93 15.596 -8.756 -8.103 712 2HZ LYS 93 HZ2 LYS 93 14.165 -8.322 -7.456 713 3HZ LYS 93 HZ3 LYS 93 15.475 -7.351 -7.266 714 H GLU 94 H GLU 94 15.973 -11.537 -1.671 715 HA GLU 94 HA GLU 94 13.552 -13.030 -1.463 716 1HB GLU 94 HB2 GLU 94 16.447 -13.977 -1.418 717 2HB GLU 94 HB3 GLU 94 15.039 -15.020 -1.637 718 1HG GLU 94 HG2 GLU 94 15.920 -12.781 -3.516 719 2HG GLU 94 HG3 GLU 94 16.144 -14.502 -3.778 720 H ALA 95 H ALA 95 16.305 -12.600 0.842 721 HA ALA 95 HA ALA 95 15.203 -14.314 2.848 722 1HB ALA 95 HB1 ALA 95 17.584 -13.689 2.838 723 2HB ALA 95 HB2 ALA 95 17.147 -11.981 3.101 724 3HB ALA 95 HB3 ALA 95 16.814 -13.188 4.356 725 H LEU 96 H LEU 96 14.911 -10.828 2.142 726 HA LEU 96 HA LEU 96 13.339 -10.181 4.421 727 1HB LEU 96 HB2 LEU 96 13.399 -8.933 1.664 728 2HB LEU 96 HB3 LEU 96 12.556 -8.252 3.051 729 HG LEU 96 HG LEU 96 15.569 -8.699 2.934 730 1HD1 LEU 96 HD11 LEU 96 14.056 -6.067 2.776 731 2HD1 LEU 96 HD12 LEU 96 15.805 -6.328 2.629 732 3HD1 LEU 96 HD13 LEU 96 14.723 -6.919 1.368 733 1HD2 LEU 96 HD21 LEU 96 14.810 -8.770 5.242 734 2HD2 LEU 96 HD22 LEU 96 15.576 -7.208 4.949 735 3HD2 LEU 96 HD23 LEU 96 13.807 -7.318 5.000 736 H GLN 97 H GLN 97 12.327 -11.268 1.147 737 HA GLN 97 HA GLN 97 9.540 -11.176 1.663 738 1HB GLN 97 HB2 GLN 97 11.299 -12.862 -0.155 739 2HB GLN 97 HB3 GLN 97 9.605 -13.293 0.014 740 1HG GLN 97 HG2 GLN 97 8.821 -11.383 -1.019 741 2HG GLN 97 HG3 GLN 97 10.305 -10.459 -0.699 742 1HE2 GLN 97 HE22 GLN 97 12.180 -10.895 -1.925 743 2HE2 GLN 97 HE21 GLN 97 12.187 -11.817 -3.425 744 H GLU 98 H GLU 98 11.966 -13.694 2.394 745 HA GLU 98 HA GLU 98 10.031 -15.570 3.353 746 1HB GLU 98 HB2 GLU 98 13.018 -15.317 3.857 747 2HB GLU 98 HB3 GLU 98 12.031 -16.586 4.590 748 1HG GLU 98 HG2 GLU 98 11.292 -17.328 2.342 749 2HG GLU 98 HG3 GLU 98 12.327 -16.118 1.594 750 H LEU 99 H LEU 99 11.870 -12.989 5.011 751 HA LEU 99 HA LEU 99 11.007 -13.535 7.640 752 1HB LEU 99 HB2 LEU 99 12.918 -12.123 7.035 753 2HB LEU 99 HB3 LEU 99 11.860 -10.996 6.193 754 HG LEU 99 HG LEU 99 10.745 -10.420 8.292 755 1HD1 LEU 99 HD11 LEU 99 12.849 -12.265 9.516 756 2HD1 LEU 99 HD12 LEU 99 11.918 -11.084 10.455 757 3HD1 LEU 99 HD13 LEU 99 11.079 -12.414 9.648 758 1HD2 LEU 99 HD21 LEU 99 12.654 -9.090 9.189 759 2HD2 LEU 99 HD22 LEU 99 13.777 -10.113 8.269 760 3HD2 LEU 99 HD23 LEU 99 12.605 -9.083 7.419 761 H VAL 100 H VAL 100 9.571 -11.440 5.054 762 HA VAL 100 HA VAL 100 7.322 -10.573 6.564 763 HB VAL 100 HB VAL 100 7.730 -10.991 3.576 764 1HG1 VAL 100 HG11 VAL 100 5.335 -10.848 3.948 765 2HG1 VAL 100 HG12 VAL 100 5.536 -9.431 4.997 766 3HG1 VAL 100 HG13 VAL 100 5.893 -9.318 3.265 767 1HG2 VAL 100 HG21 VAL 100 8.419 -8.790 3.375 768 2HG2 VAL 100 HG22 VAL 100 7.773 -8.303 4.973 769 3HG2 VAL 100 HG23 VAL 100 9.237 -9.273 4.849 770 H ASN 101 H ASN 101 7.884 -13.410 4.499 771 HA ASN 101 HA ASN 101 5.268 -14.354 4.301 772 1HB ASN 101 HB2 ASN 101 7.287 -15.055 2.955 773 2HB ASN 101 HB3 ASN 101 7.769 -16.081 4.310 774 1HD2 ASN 101 HD22 ASN 101 5.628 -15.684 1.586 775 2HD2 ASN 101 HD21 ASN 101 4.819 -17.224 1.721 776 H LYS 102 H LYS 102 7.536 -14.733 6.974 777 HA LYS 102 HA LYS 102 6.342 -16.872 8.388 778 1HB LYS 102 HB2 LYS 102 7.575 -14.320 9.491 779 2HB LYS 102 HB3 LYS 102 7.240 -15.774 10.428 780 1HG LYS 102 HG2 LYS 102 8.885 -17.016 8.966 781 2HG LYS 102 HG3 LYS 102 9.292 -15.458 8.214 782 1HD LYS 102 HD2 LYS 102 9.853 -14.545 10.485 783 2HD LYS 102 HD3 LYS 102 9.552 -16.157 11.167 784 1HE LYS 102 HE2 LYS 102 11.322 -17.050 9.568 785 2HE LYS 102 HE3 LYS 102 11.689 -15.376 9.135 786 1HZ LYS 102 HZ1 LYS 102 13.182 -16.132 10.841 787 2HZ LYS 102 HZ2 LYS 102 12.226 -14.995 11.533 788 3HZ LYS 102 HZ3 LYS 102 11.968 -16.584 11.825 789 H HIS 103 H HIS 103 5.098 -13.607 7.866 790 HA HIS 103 HA HIS 103 3.080 -14.014 10.033 791 1HB HIS 103 HB2 HIS 103 4.233 -11.390 9.059 792 2HB HIS 103 HB3 HIS 103 3.264 -11.672 10.507 793 HD1 HIS 103 HD1 HIS 103 4.732 -13.650 12.225 794 HD2 HIS 103 HD2 HIS 103 6.750 -11.198 9.465 795 HE1 HIS 103 HE1 HIS 103 7.185 -13.639 12.923 796 H LEU 104 H LEU 104 3.270 -13.881 6.681 797 HA LEU 104 HA LEU 104 1.000 -12.271 6.027 798 1HB LEU 104 HB2 LEU 104 2.173 -14.739 4.680 799 2HB LEU 104 HB3 LEU 104 0.843 -13.805 4.015 800 HG LEU 104 HG LEU 104 3.645 -12.721 4.516 801 1HD1 LEU 104 HD11 LEU 104 3.499 -14.394 2.678 802 2HD1 LEU 104 HD12 LEU 104 2.226 -13.426 1.912 803 3HD1 LEU 104 HD13 LEU 104 3.867 -12.769 2.078 804 1HD2 LEU 104 HD21 LEU 104 1.216 -11.435 3.195 805 2HD2 LEU 104 HD22 LEU 104 2.032 -10.890 4.677 806 3HD2 LEU 104 HD23 LEU 104 2.868 -10.783 3.129 Start of MODEL 7 1 1H MET 1 H1 MET 1 1.031 -0.674 2.120 2 2H MET 1 H2 MET 1 -0.123 -1.693 1.551 3 3H MET 1 H3 MET 1 1.446 -1.972 1.193 4 HA MET 1 HA MET 1 0.259 -1.128 -0.659 5 1HB MET 1 HB2 MET 1 -0.728 0.972 -0.806 6 2HB MET 1 HB3 MET 1 -1.374 0.217 0.637 7 1HG MET 1 HG2 MET 1 0.634 2.489 0.464 8 2HG MET 1 HG3 MET 1 -1.023 2.552 1.028 9 1HE MET 1 HE1 MET 1 0.850 3.489 4.258 10 2HE MET 1 HE2 MET 1 1.317 3.925 2.599 11 3HE MET 1 HE3 MET 1 -0.398 3.922 3.073 12 H ALA 2 H ALA 2 2.525 0.981 1.342 13 HA ALA 2 HA ALA 2 4.440 0.932 -0.885 14 1HB ALA 2 HB1 ALA 2 3.171 3.490 0.197 15 2HB ALA 2 HB2 ALA 2 4.482 3.393 -0.996 16 3HB ALA 2 HB3 ALA 2 2.871 2.797 -1.414 17 H ILE 3 H ILE 3 6.382 2.444 -0.120 18 HA ILE 3 HA ILE 3 7.092 1.858 2.660 19 HB ILE 3 HB ILE 3 8.420 3.538 0.500 20 1HG1 ILE 3 HG12 ILE 3 9.746 1.031 1.465 21 2HG1 ILE 3 HG13 ILE 3 8.260 0.757 0.574 22 1HG2 ILE 3 HG21 ILE 3 10.491 3.392 1.920 23 2HG2 ILE 3 HG22 ILE 3 9.218 4.371 2.641 24 3HG2 ILE 3 HG23 ILE 3 9.503 2.720 3.235 25 1HD1 ILE 3 HD11 ILE 3 10.577 2.442 -0.444 26 2HD1 ILE 3 HD12 ILE 3 10.222 0.763 -0.891 27 3HD1 ILE 3 HD13 ILE 3 9.065 2.051 -1.315 28 H VAL 4 H VAL 4 7.195 3.431 4.287 29 HA VAL 4 HA VAL 4 5.908 6.070 3.857 30 HB VAL 4 HB VAL 4 5.266 4.110 6.101 31 1HG1 VAL 4 HG11 VAL 4 3.912 6.706 5.269 32 2HG1 VAL 4 HG12 VAL 4 3.256 5.560 6.457 33 3HG1 VAL 4 HG13 VAL 4 4.765 6.367 6.798 34 1HG2 VAL 4 HG21 VAL 4 3.642 4.648 3.579 35 2HG2 VAL 4 HG22 VAL 4 4.340 3.095 4.098 36 3HG2 VAL 4 HG23 VAL 4 3.024 3.807 5.015 37 H LYS 5 H LYS 5 6.353 7.466 5.790 38 HA LYS 5 HA LYS 5 8.926 6.851 7.174 39 1HB LYS 5 HB2 LYS 5 9.046 8.701 5.432 40 2HB LYS 5 HB3 LYS 5 7.806 9.554 6.350 41 1HG LYS 5 HG2 LYS 5 9.869 10.557 6.916 42 2HG LYS 5 HG3 LYS 5 9.347 9.650 8.321 43 1HD LYS 5 HD2 LYS 5 11.773 9.432 7.908 44 2HD LYS 5 HD3 LYS 5 10.956 7.881 7.855 45 1HE LYS 5 HE2 LYS 5 12.595 7.983 6.065 46 2HE LYS 5 HE3 LYS 5 10.970 7.895 5.393 47 1HZ LYS 5 HZ1 LYS 5 12.576 10.393 5.625 48 2HZ LYS 5 HZ2 LYS 5 12.352 9.546 4.253 49 3HZ LYS 5 HZ3 LYS 5 11.091 10.291 4.955 50 H ALA 6 H ALA 6 8.785 7.263 9.418 51 HA ALA 6 HA ALA 6 6.280 8.389 10.528 52 1HB ALA 6 HB1 ALA 6 5.910 6.406 11.962 53 2HB ALA 6 HB2 ALA 6 5.800 5.969 10.251 54 3HB ALA 6 HB3 ALA 6 7.271 5.578 11.179 55 H THR 7 H THR 7 6.374 8.573 12.872 56 HA THR 7 HA THR 7 9.009 8.510 14.161 57 HB THR 7 HB THR 7 8.350 10.661 15.317 58 HG1 THR 7 HG1 THR 7 6.818 11.965 14.267 59 1HG2 THR 7 HG21 THR 7 8.707 11.011 12.304 60 2HG2 THR 7 HG22 THR 7 9.166 12.153 13.589 61 3HG2 THR 7 HG23 THR 7 10.013 10.608 13.431 62 H ASP 8 H ASP 8 8.562 8.767 16.598 63 HA ASP 8 HA ASP 8 6.897 6.855 17.678 64 1HB ASP 8 HB2 ASP 8 8.651 8.004 18.941 65 2HB ASP 8 HB3 ASP 8 7.756 9.520 18.847 66 H GLN 9 H GLN 9 5.965 10.088 16.674 67 HA GLN 9 HA GLN 9 3.531 10.426 18.046 68 1HB GLN 9 HB2 GLN 9 4.344 11.376 15.268 69 2HB GLN 9 HB3 GLN 9 3.011 12.029 16.220 70 1HG GLN 9 HG2 GLN 9 4.575 12.821 17.952 71 2HG GLN 9 HG3 GLN 9 5.943 12.138 17.071 72 1HE2 GLN 9 HE22 GLN 9 3.519 14.748 17.064 73 2HE2 GLN 9 HE21 GLN 9 4.291 15.699 15.823 74 H SER 10 H SER 10 4.256 8.488 15.176 75 HA SER 10 HA SER 10 1.373 7.725 14.932 76 1HB SER 10 HB2 SER 10 3.191 8.496 12.620 77 2HB SER 10 HB3 SER 10 1.468 8.103 12.536 78 HG SER 10 HG SER 10 1.020 9.991 13.696 79 H PHE 11 H PHE 11 4.589 6.574 15.110 80 HA PHE 11 HA PHE 11 4.746 4.559 13.257 81 1HB PHE 11 HB2 PHE 11 6.535 5.280 14.806 82 2HB PHE 11 HB3 PHE 11 5.702 4.515 16.153 83 HD1 PHE 11 HD1 PHE 11 7.470 3.925 12.929 84 HD2 PHE 11 HD2 PHE 11 5.936 2.121 16.538 85 HE1 PHE 11 HE1 PHE 11 8.698 1.849 12.412 86 HE2 PHE 11 HE2 PHE 11 7.162 0.033 16.005 87 HZ PHE 11 HZ PHE 11 8.545 -0.113 13.954 88 H SER 12 H SER 12 3.155 4.285 16.495 89 HA SER 12 HA SER 12 2.516 1.567 16.285 90 1HB SER 12 HB2 SER 12 0.883 3.680 17.736 91 2HB SER 12 HB3 SER 12 1.065 1.968 18.159 92 HG SER 12 HG SER 12 2.388 3.340 19.443 93 H ALA 13 H ALA 13 0.742 4.409 15.073 94 HA ALA 13 HA ALA 13 -1.620 2.930 14.361 95 1HB ALA 13 HB1 ALA 13 -1.678 5.379 14.723 96 2HB ALA 13 HB2 ALA 13 -0.602 5.616 13.325 97 3HB ALA 13 HB3 ALA 13 -2.229 4.952 13.092 98 H GLU 14 H GLU 14 1.324 3.998 12.647 99 HA GLU 14 HA GLU 14 0.515 3.042 10.099 100 1HB GLU 14 HB2 GLU 14 3.284 3.560 11.270 101 2HB GLU 14 HB3 GLU 14 3.043 3.035 9.609 102 1HG GLU 14 HG2 GLU 14 2.011 5.612 10.843 103 2HG GLU 14 HG3 GLU 14 3.333 5.442 9.686 104 H THR 15 H THR 15 2.179 1.386 12.791 105 HA THR 15 HA THR 15 2.617 -0.984 11.222 106 HB THR 15 HB THR 15 3.481 -1.844 13.433 107 HG1 THR 15 HG1 THR 15 3.308 0.864 14.213 108 1HG2 THR 15 HG21 THR 15 4.632 0.720 12.233 109 2HG2 THR 15 HG22 THR 15 5.479 -0.306 13.398 110 3HG2 THR 15 HG23 THR 15 5.038 -0.956 11.813 111 H SER 16 H SER 16 -0.250 0.111 12.350 112 HA SER 16 HA SER 16 -1.160 -2.521 13.321 113 1HB SER 16 HB2 SER 16 -2.402 0.246 13.566 114 2HB SER 16 HB3 SER 16 -3.131 -1.254 14.167 115 HG SER 16 HG SER 16 -0.768 0.037 15.032 116 H GLU 17 H GLU 17 -0.609 -2.063 10.515 117 HA GLU 17 HA GLU 17 -3.307 -2.670 9.411 118 1HB GLU 17 HB2 GLU 17 -1.288 -0.759 8.183 119 2HB GLU 17 HB3 GLU 17 -2.722 -1.404 7.362 120 1HG GLU 17 HG2 GLU 17 -4.124 -0.443 9.258 121 2HG GLU 17 HG3 GLU 17 -2.675 0.416 9.795 122 H GLY 18 H GLY 18 -2.092 -4.781 10.143 123 1HA GLY 18 HA2 GLY 18 -1.838 -6.854 9.061 124 2HA GLY 18 HA3 GLY 18 -1.277 -6.042 7.596 125 H VAL 19 H VAL 19 0.552 -7.455 7.534 126 HA VAL 19 HA VAL 19 2.626 -7.270 9.604 127 HB VAL 19 HB VAL 19 2.734 -8.347 6.748 128 1HG1 VAL 19 HG11 VAL 19 4.798 -8.494 9.000 129 2HG1 VAL 19 HG12 VAL 19 4.885 -9.407 7.480 130 3HG1 VAL 19 HG13 VAL 19 5.000 -7.646 7.453 131 1HG2 VAL 19 HG21 VAL 19 1.307 -9.730 8.231 132 2HG2 VAL 19 HG22 VAL 19 2.816 -10.568 7.860 133 3HG2 VAL 19 HG23 VAL 19 2.609 -9.788 9.440 134 H VAL 20 H VAL 20 4.214 -5.760 9.638 135 HA VAL 20 HA VAL 20 4.536 -3.859 7.397 136 HB VAL 20 HB VAL 20 4.149 -3.110 10.336 137 1HG1 VAL 20 HG11 VAL 20 5.720 -1.562 9.257 138 2HG1 VAL 20 HG12 VAL 20 4.627 -1.377 7.871 139 3HG1 VAL 20 HG13 VAL 20 4.168 -0.755 9.466 140 1HG2 VAL 20 HG21 VAL 20 2.294 -2.852 7.925 141 2HG2 VAL 20 HG22 VAL 20 1.959 -3.595 9.497 142 3HG2 VAL 20 HG23 VAL 20 2.093 -1.846 9.357 143 H LEU 21 H LEU 21 6.725 -3.210 7.222 144 HA LEU 21 HA LEU 21 8.626 -4.570 9.094 145 1HB LEU 21 HB2 LEU 21 8.274 -5.667 6.861 146 2HB LEU 21 HB3 LEU 21 9.009 -4.245 6.102 147 HG LEU 21 HG LEU 21 10.282 -6.125 8.150 148 1HD1 LEU 21 HD11 LEU 21 9.941 -7.115 5.901 149 2HD1 LEU 21 HD12 LEU 21 10.859 -5.773 5.182 150 3HD1 LEU 21 HD13 LEU 21 11.654 -6.918 6.286 151 1HD2 LEU 21 HD21 LEU 21 11.452 -3.692 6.751 152 2HD2 LEU 21 HD22 LEU 21 11.402 -4.055 8.500 153 3HD2 LEU 21 HD23 LEU 21 12.444 -4.993 7.435 154 H ALA 22 H ALA 22 9.339 -2.976 10.328 155 HA ALA 22 HA ALA 22 9.530 -0.242 9.292 156 1HB ALA 22 HB1 ALA 22 9.969 -1.471 12.035 157 2HB ALA 22 HB2 ALA 22 10.114 0.261 11.665 158 3HB ALA 22 HB3 ALA 22 8.538 -0.557 11.497 159 H ASP 23 H ASP 23 11.492 0.871 9.217 160 HA ASP 23 HA ASP 23 14.024 -0.721 9.311 161 1HB ASP 23 HB2 ASP 23 13.466 -0.472 7.001 162 2HB ASP 23 HB3 ASP 23 13.023 1.223 7.214 163 H PHE 24 H PHE 24 14.707 -0.027 11.211 164 HA PHE 24 HA PHE 24 14.621 2.763 12.112 165 1HB PHE 24 HB2 PHE 24 15.738 0.169 13.265 166 2HB PHE 24 HB3 PHE 24 16.034 1.742 13.976 167 HD1 PHE 24 HD1 PHE 24 14.570 2.512 15.654 168 HD2 PHE 24 HD2 PHE 24 13.124 -0.393 12.808 169 HE1 PHE 24 HE1 PHE 24 12.345 2.563 16.722 170 HE2 PHE 24 HE2 PHE 24 10.907 -0.337 13.903 171 HZ PHE 24 HZ PHE 24 10.483 1.187 15.798 172 H TRP 25 H TRP 25 15.992 4.142 11.226 173 HA TRP 25 HA TRP 25 18.719 3.384 10.533 174 1HB TRP 25 HB2 TRP 25 18.427 3.201 8.348 175 2HB TRP 25 HB3 TRP 25 16.706 3.189 8.588 176 HD1 TRP 25 HD1 TRP 25 19.426 5.110 6.944 177 HE1 TRP 25 HE1 TRP 25 18.467 7.186 5.781 178 HE3 TRP 25 HE3 TRP 25 14.864 5.305 9.213 179 HZ2 TRP 25 HZ2 TRP 25 16.253 8.992 6.172 180 HZ3 TRP 25 HZ3 TRP 25 13.411 7.318 8.935 181 HH2 TRP 25 HH2 TRP 25 14.137 9.183 7.462 182 H ALA 26 H ALA 26 19.639 5.637 9.379 183 HA ALA 26 HA ALA 26 18.318 8.038 10.165 184 1HB ALA 26 HB1 ALA 26 20.226 8.952 11.513 185 2HB ALA 26 HB2 ALA 26 19.390 7.638 12.345 186 3HB ALA 26 HB3 ALA 26 20.945 7.320 11.540 187 HA PRO 27 HA PRO 27 20.629 8.755 6.467 188 1HB PRO 27 HB2 PRO 27 20.863 11.667 7.122 189 2HB PRO 27 HB3 PRO 27 20.251 10.852 5.640 190 1HG PRO 27 HG2 PRO 27 18.539 11.938 7.503 191 2HG PRO 27 HG3 PRO 27 18.158 10.405 6.661 192 1HD PRO 27 HD2 PRO 27 19.275 10.786 9.446 193 2HD PRO 27 HD3 PRO 27 18.009 9.660 8.864 194 H TRP 28 H TRP 28 22.236 9.505 9.493 195 HA TRP 28 HA TRP 28 24.782 10.139 8.248 196 1HB TRP 28 HB2 TRP 28 25.757 9.804 10.416 197 2HB TRP 28 HB3 TRP 28 24.320 10.792 10.558 198 HD1 TRP 28 HD1 TRP 28 22.420 9.938 12.098 199 HE1 TRP 28 HE1 TRP 28 22.188 8.064 13.809 200 HE3 TRP 28 HE3 TRP 28 26.524 7.156 10.800 201 HZ2 TRP 28 HZ2 TRP 28 23.531 5.576 14.453 202 HZ3 TRP 28 HZ3 TRP 28 26.994 5.018 11.952 203 HH2 TRP 28 HH2 TRP 28 25.505 4.213 13.774 204 H CYS 29 H CYS 29 22.921 7.267 8.627 205 HA CYS 29 HA CYS 29 24.870 5.272 8.957 206 1HB CYS 29 HB2 CYS 29 22.319 5.189 9.180 207 2HB CYS 29 HB3 CYS 29 22.246 5.151 7.450 208 H GLY 30 H GLY 30 25.557 3.674 7.323 209 1HA GLY 30 HA2 GLY 30 25.761 4.691 4.506 210 2HA GLY 30 HA3 GLY 30 27.035 3.778 5.316 211 HA PRO 31 HA PRO 31 25.311 -0.151 4.314 212 1HB PRO 31 HB2 PRO 31 24.401 -0.675 7.146 213 2HB PRO 31 HB3 PRO 31 25.304 -1.756 6.045 214 1HG PRO 31 HG2 PRO 31 26.613 -0.396 7.980 215 2HG PRO 31 HG3 PRO 31 27.309 -0.477 6.328 216 1HD PRO 31 HD2 PRO 31 25.746 1.785 7.596 217 2HD PRO 31 HD3 PRO 31 27.232 1.857 6.602 218 H CYS 32 H CYS 32 23.093 1.740 6.345 219 HA CYS 32 HA CYS 32 20.604 0.603 5.771 220 1HB CYS 32 HB2 CYS 32 21.351 3.555 5.954 221 2HB CYS 32 HB3 CYS 32 19.746 2.912 6.139 222 H LYS 33 H LYS 33 22.645 2.690 3.713 223 HA LYS 33 HA LYS 33 20.498 3.117 1.804 224 1HB LYS 33 HB2 LYS 33 23.422 3.941 1.801 225 2HB LYS 33 HB3 LYS 33 22.220 4.475 0.618 226 1HG LYS 33 HG2 LYS 33 20.938 5.667 2.266 227 2HG LYS 33 HG3 LYS 33 21.788 4.907 3.609 228 1HD LYS 33 HD2 LYS 33 23.915 6.020 2.789 229 2HD LYS 33 HD3 LYS 33 22.879 7.019 1.742 230 1HE LYS 33 HE2 LYS 33 21.656 7.870 3.716 231 2HE LYS 33 HE3 LYS 33 22.457 6.670 4.753 232 1HZ LYS 33 HZ1 LYS 33 23.951 8.803 3.328 233 2HZ LYS 33 HZ2 LYS 33 23.430 8.921 4.884 234 3HZ LYS 33 HZ3 LYS 33 24.494 7.762 4.503 235 H MET 34 H MET 34 22.886 0.652 2.315 236 HA MET 34 HA MET 34 22.975 -0.244 -0.436 237 1HB MET 34 HB2 MET 34 23.477 -1.870 2.079 238 2HB MET 34 HB3 MET 34 23.941 -2.285 0.431 239 1HG MET 34 HG2 MET 34 25.431 -0.248 0.408 240 2HG MET 34 HG3 MET 34 25.062 -0.020 2.114 241 1HE MET 34 HE1 MET 34 25.273 -2.325 3.783 242 2HE MET 34 HE2 MET 34 25.060 -3.612 2.581 243 3HE MET 34 HE3 MET 34 26.556 -3.529 3.529 244 H ILE 35 H ILE 35 21.107 -1.028 2.541 245 HA ILE 35 HA ILE 35 19.555 -3.000 1.110 246 HB ILE 35 HB ILE 35 20.175 -3.342 3.430 247 1HG1 ILE 35 HG12 ILE 35 17.167 -3.278 2.999 248 2HG1 ILE 35 HG13 ILE 35 18.274 -4.526 2.423 249 1HG2 ILE 35 HG21 ILE 35 19.052 -2.164 5.276 250 2HG2 ILE 35 HG22 ILE 35 20.023 -1.082 4.300 251 3HG2 ILE 35 HG23 ILE 35 18.246 -1.094 4.105 252 1HD1 ILE 35 HD11 ILE 35 17.570 -3.872 5.310 253 2HD1 ILE 35 HD12 ILE 35 17.171 -5.330 4.395 254 3HD1 ILE 35 HD13 ILE 35 18.854 -5.008 4.838 255 H ALA 36 H ALA 36 19.115 0.461 1.773 256 HA ALA 36 HA ALA 36 16.435 0.777 1.535 257 1HB ALA 36 HB1 ALA 36 17.937 2.634 1.892 258 2HB ALA 36 HB2 ALA 36 18.561 2.517 0.232 259 3HB ALA 36 HB3 ALA 36 16.875 2.985 0.518 260 HA PRO 37 HA PRO 37 16.132 0.497 -3.211 261 1HB PRO 37 HB2 PRO 37 18.062 -0.832 -4.676 262 2HB PRO 37 HB3 PRO 37 18.036 0.937 -4.405 263 1HG PRO 37 HG2 PRO 37 19.583 -1.163 -2.859 264 2HG PRO 37 HG3 PRO 37 20.186 0.390 -3.524 265 1HD PRO 37 HD2 PRO 37 19.482 0.188 -0.933 266 2HD PRO 37 HD3 PRO 37 19.049 1.644 -1.865 267 H VAL 38 H VAL 38 17.572 -2.094 -1.279 268 HA VAL 38 HA VAL 38 16.214 -4.218 -2.673 269 HB VAL 38 HB VAL 38 17.284 -4.337 0.163 270 1HG1 VAL 38 HG11 VAL 38 15.942 -6.259 -0.670 271 2HG1 VAL 38 HG12 VAL 38 17.062 -6.437 -2.039 272 3HG1 VAL 38 HG13 VAL 38 17.628 -6.690 -0.363 273 1HG2 VAL 38 HG21 VAL 38 18.856 -4.722 -2.431 274 2HG2 VAL 38 HG22 VAL 38 19.147 -3.469 -1.207 275 3HG2 VAL 38 HG23 VAL 38 19.423 -5.160 -0.804 276 H LEU 39 H LEU 39 15.527 -2.126 0.213 277 HA LEU 39 HA LEU 39 12.987 -3.325 0.735 278 1HB LEU 39 HB2 LEU 39 13.982 -0.503 1.286 279 2HB LEU 39 HB3 LEU 39 12.447 -1.140 1.858 280 HG LEU 39 HG LEU 39 15.167 -2.299 2.560 281 1HD1 LEU 39 HD11 LEU 39 14.808 -1.313 4.783 282 2HD1 LEU 39 HD12 LEU 39 14.836 -0.064 3.530 283 3HD1 LEU 39 HD13 LEU 39 13.285 -0.579 4.228 284 1HD2 LEU 39 HD21 LEU 39 13.397 -4.024 2.676 285 2HD2 LEU 39 HD22 LEU 39 13.942 -3.581 4.294 286 3HD2 LEU 39 HD23 LEU 39 12.400 -2.949 3.678 287 H GLU 40 H GLU 40 13.939 -0.691 -1.537 288 HA GLU 40 HA GLU 40 11.274 -0.223 -2.427 289 1HB GLU 40 HB2 GLU 40 13.907 0.072 -3.914 290 2HB GLU 40 HB3 GLU 40 12.340 0.551 -4.567 291 1HG GLU 40 HG2 GLU 40 11.990 2.079 -2.644 292 2HG GLU 40 HG3 GLU 40 13.577 1.651 -2.008 293 H GLU 41 H GLU 41 13.674 -2.655 -3.527 294 HA GLU 41 HA GLU 41 11.989 -3.846 -5.486 295 1HB GLU 41 HB2 GLU 41 14.284 -4.897 -3.806 296 2HB GLU 41 HB3 GLU 41 13.395 -5.950 -4.892 297 1HG GLU 41 HG2 GLU 41 14.676 -3.362 -5.852 298 2HG GLU 41 HG3 GLU 41 15.551 -4.889 -5.769 299 H LEU 42 H LEU 42 12.347 -4.499 -1.992 300 HA LEU 42 HA LEU 42 10.538 -6.651 -1.860 301 1HB LEU 42 HB2 LEU 42 12.152 -5.927 -0.044 302 2HB LEU 42 HB3 LEU 42 11.098 -4.560 0.296 303 HG LEU 42 HG LEU 42 9.232 -6.178 0.816 304 1HD1 LEU 42 HD11 LEU 42 11.460 -8.238 0.486 305 2HD1 LEU 42 HD12 LEU 42 9.912 -8.550 1.302 306 3HD1 LEU 42 HD13 LEU 42 9.931 -8.144 -0.415 307 1HD2 LEU 42 HD21 LEU 42 10.228 -6.893 3.007 308 2HD2 LEU 42 HD22 LEU 42 11.808 -6.320 2.418 309 3HD2 LEU 42 HD23 LEU 42 10.471 -5.184 2.617 310 H ASP 43 H ASP 43 9.970 -3.121 -1.550 311 HA ASP 43 HA ASP 43 7.213 -3.225 -0.979 312 1HB ASP 43 HB2 ASP 43 8.686 -1.173 -0.896 313 2HB ASP 43 HB3 ASP 43 8.639 -1.128 -2.670 314 H GLN 44 H GLN 44 8.957 -3.144 -4.084 315 HA GLN 44 HA GLN 44 6.569 -3.139 -5.678 316 1HB GLN 44 HB2 GLN 44 9.489 -3.675 -6.308 317 2HB GLN 44 HB3 GLN 44 8.226 -3.621 -7.544 318 1HG GLN 44 HG2 GLN 44 7.680 -1.326 -7.047 319 2HG GLN 44 HG3 GLN 44 8.685 -1.308 -5.599 320 1HE2 GLN 44 HE22 GLN 44 11.003 -1.473 -5.841 321 2HE2 GLN 44 HE21 GLN 44 11.801 -0.939 -7.320 322 H GLU 45 H GLU 45 8.024 -5.676 -3.905 323 HA GLU 45 HA GLU 45 6.951 -7.810 -5.656 324 1HB GLU 45 HB2 GLU 45 8.921 -7.737 -3.341 325 2HB GLU 45 HB3 GLU 45 8.279 -9.248 -3.973 326 1HG GLU 45 HG2 GLU 45 9.673 -7.233 -5.773 327 2HG GLU 45 HG3 GLU 45 10.549 -8.468 -4.872 328 H MET 46 H MET 46 6.527 -6.298 -2.484 329 HA MET 46 HA MET 46 4.348 -8.261 -1.877 330 1HB MET 46 HB2 MET 46 6.276 -6.987 0.094 331 2HB MET 46 HB3 MET 46 5.071 -8.238 0.405 332 1HG MET 46 HG2 MET 46 6.438 -9.609 -1.397 333 2HG MET 46 HG3 MET 46 7.712 -8.442 -1.032 334 1HE MET 46 HE1 MET 46 6.066 -11.672 -0.227 335 2HE MET 46 HE2 MET 46 6.067 -11.843 1.545 336 3HE MET 46 HE3 MET 46 4.979 -10.662 0.765 337 H GLY 47 H GLY 47 4.815 -4.942 -2.435 338 1HA GLY 47 HA2 GLY 47 3.674 -3.632 -0.320 339 2HA GLY 47 HA3 GLY 47 3.530 -3.120 -2.004 340 H ASP 48 H ASP 48 1.905 -5.797 -2.354 341 HA ASP 48 HA ASP 48 -0.740 -4.690 -2.075 342 1HB ASP 48 HB2 ASP 48 -0.195 -6.256 -3.865 343 2HB ASP 48 HB3 ASP 48 0.273 -7.489 -2.689 344 H LYS 49 H LYS 49 1.333 -6.797 -0.147 345 HA LYS 49 HA LYS 49 -0.776 -7.138 1.943 346 1HB LYS 49 HB2 LYS 49 1.643 -8.851 1.164 347 2HB LYS 49 HB3 LYS 49 0.645 -9.149 2.581 348 1HG LYS 49 HG2 LYS 49 -0.458 -9.110 -0.256 349 2HG LYS 49 HG3 LYS 49 0.117 -10.566 0.560 350 1HD LYS 49 HD2 LYS 49 -1.523 -10.276 2.363 351 2HD LYS 49 HD3 LYS 49 -2.166 -8.815 1.609 352 1HE LYS 49 HE2 LYS 49 -2.081 -11.481 0.150 353 2HE LYS 49 HE3 LYS 49 -3.394 -11.073 1.259 354 1HZ LYS 49 HZ1 LYS 49 -3.910 -10.519 -1.050 355 2HZ LYS 49 HZ2 LYS 49 -3.959 -9.201 -0.098 356 3HZ LYS 49 HZ3 LYS 49 -2.697 -9.421 -1.114 357 H LEU 50 H LEU 50 2.341 -5.753 1.237 358 HA LEU 50 HA LEU 50 3.015 -5.602 4.113 359 1HB LEU 50 HB2 LEU 50 4.495 -6.859 2.525 360 2HB LEU 50 HB3 LEU 50 4.710 -5.377 1.592 361 HG LEU 50 HG LEU 50 5.866 -4.316 3.508 362 1HD1 LEU 50 HD11 LEU 50 6.563 -5.737 5.429 363 2HD1 LEU 50 HD12 LEU 50 4.821 -5.498 5.402 364 3HD1 LEU 50 HD13 LEU 50 5.502 -7.035 4.842 365 1HD2 LEU 50 HD21 LEU 50 7.908 -5.691 3.395 366 2HD2 LEU 50 HD22 LEU 50 6.969 -7.005 2.644 367 3HD2 LEU 50 HD23 LEU 50 7.155 -5.448 1.811 368 H LYS 51 H LYS 51 3.968 -3.695 4.924 369 HA LYS 51 HA LYS 51 3.941 -1.230 3.290 370 1HB LYS 51 HB2 LYS 51 1.933 -1.160 4.811 371 2HB LYS 51 HB3 LYS 51 2.986 -1.499 6.184 372 1HG LYS 51 HG2 LYS 51 4.257 0.666 5.570 373 2HG LYS 51 HG3 LYS 51 2.932 1.011 4.459 374 1HD LYS 51 HD2 LYS 51 2.692 0.556 7.471 375 2HD LYS 51 HD3 LYS 51 2.755 2.132 6.681 376 1HE LYS 51 HE2 LYS 51 0.664 1.580 5.427 377 2HE LYS 51 HE3 LYS 51 0.574 0.030 6.284 378 1HZ LYS 51 HZ1 LYS 51 0.427 1.251 8.350 379 2HZ LYS 51 HZ2 LYS 51 0.545 2.699 7.572 380 3HZ LYS 51 HZ3 LYS 51 -0.785 1.749 7.345 381 H ILE 52 H ILE 52 5.838 0.008 3.824 382 HA ILE 52 HA ILE 52 7.737 -1.340 5.683 383 HB ILE 52 HB ILE 52 8.319 -0.033 3.012 384 1HG1 ILE 52 HG12 ILE 52 8.653 -2.916 3.962 385 2HG1 ILE 52 HG13 ILE 52 7.435 -2.331 2.829 386 1HG2 ILE 52 HG21 ILE 52 10.694 -0.511 3.419 387 2HG2 ILE 52 HG22 ILE 52 10.079 0.539 4.680 388 3HG2 ILE 52 HG23 ILE 52 10.309 -1.194 5.013 389 1HD1 ILE 52 HD11 ILE 52 9.088 -3.371 1.513 390 2HD1 ILE 52 HD12 ILE 52 9.302 -1.625 1.280 391 3HD1 ILE 52 HD13 ILE 52 10.412 -2.531 2.334 392 H VAL 53 H VAL 53 8.690 0.107 7.171 393 HA VAL 53 HA VAL 53 7.691 2.939 7.008 394 HB VAL 53 HB VAL 53 7.403 0.994 9.335 395 1HG1 VAL 53 HG11 VAL 53 6.275 2.885 10.504 396 2HG1 VAL 53 HG12 VAL 53 7.976 3.248 10.207 397 3HG1 VAL 53 HG13 VAL 53 6.728 3.974 9.170 398 1HG2 VAL 53 HG21 VAL 53 5.330 2.474 7.661 399 2HG2 VAL 53 HG22 VAL 53 5.662 0.736 7.615 400 3HG2 VAL 53 HG23 VAL 53 4.995 1.465 9.078 401 H LYS 54 H LYS 54 9.599 3.997 6.633 402 HA LYS 54 HA LYS 54 12.051 3.204 8.058 403 1HB LYS 54 HB2 LYS 54 11.483 5.694 6.390 404 2HB LYS 54 HB3 LYS 54 13.067 5.155 6.976 405 1HG LYS 54 HG2 LYS 54 12.829 3.061 5.625 406 2HG LYS 54 HG3 LYS 54 11.283 3.645 5.004 407 1HD LYS 54 HD2 LYS 54 13.023 4.020 3.372 408 2HD LYS 54 HD3 LYS 54 12.398 5.574 3.948 409 1HE LYS 54 HE2 LYS 54 14.340 5.846 5.430 410 2HE LYS 54 HE3 LYS 54 14.923 4.225 5.010 411 1HZ LYS 54 HZ1 LYS 54 16.099 5.933 3.774 412 2HZ LYS 54 HZ2 LYS 54 15.253 5.008 2.735 413 3HZ LYS 54 HZ3 LYS 54 14.719 6.504 3.119 414 H ILE 55 H ILE 55 12.834 4.185 9.944 415 HA ILE 55 HA ILE 55 11.476 6.601 10.930 416 HB ILE 55 HB ILE 55 10.150 4.924 11.920 417 1HG1 ILE 55 HG12 ILE 55 12.067 5.832 14.100 418 2HG1 ILE 55 HG13 ILE 55 10.970 6.930 13.261 419 1HG2 ILE 55 HG21 ILE 55 12.627 3.593 13.085 420 2HG2 ILE 55 HG22 ILE 55 10.945 3.127 13.378 421 3HG2 ILE 55 HG23 ILE 55 11.630 2.940 11.766 422 1HD1 ILE 55 HD11 ILE 55 9.023 5.590 14.006 423 2HD1 ILE 55 HD12 ILE 55 10.120 4.527 14.923 424 3HD1 ILE 55 HD13 ILE 55 9.966 6.235 15.357 425 H ASP 56 H ASP 56 12.833 8.016 11.699 426 HA ASP 56 HA ASP 56 15.679 7.490 11.383 427 1HB ASP 56 HB2 ASP 56 14.667 9.462 10.389 428 2HB ASP 56 HB3 ASP 56 14.156 10.040 11.976 429 H VAL 57 H VAL 57 16.639 6.518 13.151 430 HA VAL 57 HA VAL 57 15.550 6.622 15.762 431 HB VAL 57 HB VAL 57 17.558 5.498 16.511 432 1HG1 VAL 57 HG11 VAL 57 16.727 4.417 13.787 433 2HG1 VAL 57 HG12 VAL 57 17.358 3.503 15.175 434 3HG1 VAL 57 HG13 VAL 57 15.768 4.287 15.272 435 1HG2 VAL 57 HG21 VAL 57 18.745 5.915 13.736 436 2HG2 VAL 57 HG22 VAL 57 19.315 6.696 15.225 437 3HG2 VAL 57 HG23 VAL 57 19.431 4.943 15.045 438 H ASP 58 H ASP 58 17.639 8.959 14.160 439 HA ASP 58 HA ASP 58 18.909 9.978 16.536 440 1HB ASP 58 HB2 ASP 58 19.747 10.356 14.228 441 2HB ASP 58 HB3 ASP 58 18.336 11.372 13.898 442 H GLU 59 H GLU 59 15.691 10.270 15.303 443 HA GLU 59 HA GLU 59 15.067 12.462 17.246 444 1HB GLU 59 HB2 GLU 59 13.775 11.784 14.575 445 2HB GLU 59 HB3 GLU 59 13.183 13.002 15.714 446 1HG GLU 59 HG2 GLU 59 15.440 14.157 15.523 447 2HG GLU 59 HG3 GLU 59 15.806 13.074 14.178 448 H ASN 60 H ASN 60 14.992 9.229 17.054 449 HA ASN 60 HA ASN 60 12.348 8.917 18.383 450 1HB ASN 60 HB2 ASN 60 13.242 7.342 15.930 451 2HB ASN 60 HB3 ASN 60 11.886 6.917 16.960 452 1HD2 ASN 60 HD21 ASN 60 12.968 9.082 14.450 453 2HD2 ASN 60 HD22 ASN 60 11.440 9.912 14.226 454 H GLN 61 H GLN 61 14.832 9.037 19.587 455 HA GLN 61 HA GLN 61 16.140 6.572 20.045 456 1HB GLN 61 HB2 GLN 61 15.702 9.010 21.816 457 2HB GLN 61 HB3 GLN 61 16.740 7.660 22.272 458 1HG GLN 61 HG2 GLN 61 17.141 9.312 19.741 459 2HG GLN 61 HG3 GLN 61 17.953 9.625 21.272 460 1HE2 GLN 61 HE22 GLN 61 17.949 7.675 18.399 461 2HE2 GLN 61 HE21 GLN 61 19.328 6.663 18.816 462 H GLU 62 H GLU 62 13.085 7.897 21.313 463 HA GLU 62 HA GLU 62 12.750 6.073 23.454 464 1HB GLU 62 HB2 GLU 62 10.555 7.417 21.796 465 2HB GLU 62 HB3 GLU 62 10.428 6.765 23.424 466 1HG GLU 62 HG2 GLU 62 10.663 8.926 24.006 467 2HG GLU 62 HG3 GLU 62 12.377 8.548 23.927 468 H THR 63 H THR 63 11.466 5.970 20.041 469 HA THR 63 HA THR 63 10.208 3.465 20.354 470 HB THR 63 HB THR 63 11.270 4.339 17.722 471 HG1 THR 63 HG1 THR 63 9.682 6.004 17.604 472 1HG2 THR 63 HG21 THR 63 9.624 2.480 17.904 473 2HG2 THR 63 HG22 THR 63 8.442 3.614 18.584 474 3HG2 THR 63 HG23 THR 63 9.027 3.810 16.912 475 H ALA 64 H ALA 64 13.490 4.398 19.194 476 HA ALA 64 HA ALA 64 14.399 1.781 18.551 477 1HB ALA 64 HB1 ALA 64 15.917 4.195 19.674 478 2HB ALA 64 HB2 ALA 64 16.678 2.780 18.941 479 3HB ALA 64 HB3 ALA 64 15.646 3.835 17.955 480 H GLY 65 H GLY 65 14.522 3.575 21.680 481 1HA GLY 65 HA2 GLY 65 15.718 1.547 23.235 482 2HA GLY 65 HA3 GLY 65 14.666 2.850 23.820 483 H LYS 66 H LYS 66 12.356 1.950 22.153 484 HA LYS 66 HA LYS 66 11.018 0.343 23.985 485 1HB LYS 66 HB2 LYS 66 10.119 1.845 22.037 486 2HB LYS 66 HB3 LYS 66 10.381 0.452 21.012 487 1HG LYS 66 HG2 LYS 66 8.078 0.529 21.623 488 2HG LYS 66 HG3 LYS 66 8.802 -0.889 22.380 489 1HD LYS 66 HD2 LYS 66 8.893 0.292 24.553 490 2HD LYS 66 HD3 LYS 66 8.280 1.774 23.784 491 1HE LYS 66 HE2 LYS 66 6.193 0.569 23.163 492 2HE LYS 66 HE3 LYS 66 6.812 -0.902 23.925 493 1HZ LYS 66 HZ1 LYS 66 5.320 0.294 25.393 494 2HZ LYS 66 HZ2 LYS 66 6.810 0.277 26.049 495 3HZ LYS 66 HZ3 LYS 66 6.239 1.637 25.344 496 H TYR 67 H TYR 67 13.049 -0.648 21.244 497 HA TYR 67 HA TYR 67 12.576 -3.501 22.021 498 1HB TYR 67 HB2 TYR 67 13.519 -2.748 19.288 499 2HB TYR 67 HB3 TYR 67 12.601 -4.151 19.804 500 HD1 TYR 67 HD1 TYR 67 12.501 -0.861 18.358 501 HD2 TYR 67 HD2 TYR 67 10.098 -3.697 20.550 502 HE1 TYR 67 HE1 TYR 67 10.509 0.433 17.821 503 HE2 TYR 67 HE2 TYR 67 8.056 -2.431 19.950 504 HH TYR 67 HH TYR 67 7.200 -0.535 18.898 505 H GLY 68 H GLY 68 14.740 -1.264 22.713 506 1HA GLY 68 HA2 GLY 68 16.959 -1.234 23.207 507 2HA GLY 68 HA3 GLY 68 16.954 -3.001 23.073 508 H VAL 69 H VAL 69 16.132 -0.758 20.397 509 HA VAL 69 HA VAL 69 18.167 -1.868 18.640 510 HB VAL 69 HB VAL 69 16.454 0.638 18.359 511 1HG1 VAL 69 HG11 VAL 69 16.900 0.365 15.920 512 2HG1 VAL 69 HG12 VAL 69 18.358 0.732 16.845 513 3HG1 VAL 69 HG13 VAL 69 18.056 -0.929 16.305 514 1HG2 VAL 69 HG21 VAL 69 14.964 -1.242 18.540 515 2HG2 VAL 69 HG22 VAL 69 15.021 -0.754 16.853 516 3HG2 VAL 69 HG23 VAL 69 15.923 -2.193 17.386 517 H MET 70 H MET 70 20.272 -1.303 18.736 518 HA MET 70 HA MET 70 21.091 1.386 19.735 519 1HB MET 70 HB2 MET 70 22.215 -1.330 20.533 520 2HB MET 70 HB3 MET 70 22.984 0.217 20.910 521 1HG MET 70 HG2 MET 70 20.979 0.927 22.170 522 2HG MET 70 HG3 MET 70 20.231 -0.639 21.855 523 1HE MET 70 HE1 MET 70 19.722 -1.030 24.377 524 2HE MET 70 HE2 MET 70 20.925 -0.856 25.672 525 3HE MET 70 HE3 MET 70 20.417 0.568 24.737 526 H SER 71 H SER 71 21.000 -0.496 17.091 527 HA SER 71 HA SER 71 23.374 0.645 15.879 528 1HB SER 71 HB2 SER 71 22.715 -2.338 15.714 529 2HB SER 71 HB3 SER 71 24.032 -1.508 14.873 530 HG SER 71 HG SER 71 24.740 -2.605 16.760 531 H ILE 72 H ILE 72 23.110 0.462 13.442 532 HA ILE 72 HA ILE 72 20.431 -0.194 12.504 533 HB ILE 72 HB ILE 72 20.247 1.948 11.267 534 1HG1 ILE 72 HG12 ILE 72 22.378 3.046 13.150 535 2HG1 ILE 72 HG13 ILE 72 22.659 2.647 11.452 536 1HG2 ILE 72 HG21 ILE 72 19.016 1.450 13.414 537 2HG2 ILE 72 HG22 ILE 72 20.238 2.409 14.272 538 3HG2 ILE 72 HG23 ILE 72 19.197 3.165 13.049 539 1HD1 ILE 72 HD11 ILE 72 22.253 5.018 11.630 540 2HD1 ILE 72 HD12 ILE 72 20.899 4.254 10.780 541 3HD1 ILE 72 HD13 ILE 72 20.717 4.756 12.476 542 HA PRO 73 HA PRO 73 19.508 0.295 10.099 543 1HB PRO 73 HB2 PRO 73 18.995 -1.635 8.231 544 2HB PRO 73 HB3 PRO 73 19.677 -0.037 7.830 545 1HG PRO 73 HG2 PRO 73 21.139 -2.659 8.208 546 2HG PRO 73 HG3 PRO 73 21.366 -1.448 6.910 547 1HD PRO 73 HD2 PRO 73 22.998 -1.576 9.108 548 2HD PRO 73 HD3 PRO 73 22.582 -0.018 8.338 549 H THR 74 H THR 74 17.887 -0.664 11.241 550 HA THR 74 HA THR 74 18.158 -3.539 11.971 551 HB THR 74 HB THR 74 17.583 -1.223 13.853 552 HG1 THR 74 HG1 THR 74 19.562 -1.591 14.375 553 1HG2 THR 74 HG21 THR 74 15.991 -2.917 14.472 554 2HG2 THR 74 HG22 THR 74 17.173 -4.220 14.256 555 3HG2 THR 74 HG23 THR 74 17.347 -3.070 15.595 556 H LEU 75 H LEU 75 16.222 -4.637 11.979 557 HA LEU 75 HA LEU 75 14.023 -3.218 10.570 558 1HB LEU 75 HB2 LEU 75 15.052 -6.047 10.197 559 2HB LEU 75 HB3 LEU 75 13.677 -5.340 9.367 560 HG LEU 75 HG LEU 75 16.589 -4.464 9.092 561 1HD1 LEU 75 HD11 LEU 75 14.759 -5.926 7.141 562 2HD1 LEU 75 HD12 LEU 75 16.445 -5.444 6.852 563 3HD1 LEU 75 HD13 LEU 75 16.077 -6.662 8.076 564 1HD2 LEU 75 HD21 LEU 75 15.207 -2.518 8.723 565 2HD2 LEU 75 HD22 LEU 75 15.806 -3.092 7.168 566 3HD2 LEU 75 HD23 LEU 75 14.125 -3.415 7.642 567 H LEU 76 H LEU 76 12.086 -3.402 11.589 568 HA LEU 76 HA LEU 76 11.764 -5.528 13.698 569 1HB LEU 76 HB2 LEU 76 10.907 -2.614 13.685 570 2HB LEU 76 HB3 LEU 76 9.972 -3.817 14.545 571 HG LEU 76 HG LEU 76 11.521 -2.511 15.989 572 1HD1 LEU 76 HD11 LEU 76 12.356 -4.469 17.258 573 2HD1 LEU 76 HD12 LEU 76 10.689 -4.687 16.714 574 3HD1 LEU 76 HD13 LEU 76 12.006 -5.526 15.878 575 1HD2 LEU 76 HD21 LEU 76 13.777 -4.086 14.717 576 2HD2 LEU 76 HD22 LEU 76 13.422 -2.389 14.356 577 3HD2 LEU 76 HD23 LEU 76 13.874 -2.872 16.004 578 H VAL 77 H VAL 77 10.261 -6.933 13.067 579 HA VAL 77 HA VAL 77 8.451 -6.175 10.818 580 HB VAL 77 HB VAL 77 8.720 -8.946 12.020 581 1HG1 VAL 77 HG11 VAL 77 7.842 -7.952 9.269 582 2HG1 VAL 77 HG12 VAL 77 7.798 -9.632 9.847 583 3HG1 VAL 77 HG13 VAL 77 6.749 -8.412 10.586 584 1HG2 VAL 77 HG21 VAL 77 10.208 -9.582 10.170 585 2HG2 VAL 77 HG22 VAL 77 10.365 -7.879 9.686 586 3HG2 VAL 77 HG23 VAL 77 10.999 -8.438 11.251 587 H LEU 78 H LEU 78 6.442 -5.561 11.505 588 HA LEU 78 HA LEU 78 5.557 -6.394 14.221 589 1HB LEU 78 HB2 LEU 78 4.963 -3.754 12.803 590 2HB LEU 78 HB3 LEU 78 4.147 -4.351 14.238 591 HG LEU 78 HG LEU 78 6.677 -4.521 15.166 592 1HD1 LEU 78 HD11 LEU 78 6.792 -2.192 13.211 593 2HD1 LEU 78 HD12 LEU 78 7.971 -2.531 14.492 594 3HD1 LEU 78 HD13 LEU 78 7.764 -3.664 13.151 595 1HD2 LEU 78 HD21 LEU 78 5.100 -1.927 15.164 596 2HD2 LEU 78 HD22 LEU 78 4.820 -3.304 16.245 597 3HD2 LEU 78 HD23 LEU 78 6.347 -2.420 16.324 598 H LYS 79 H LYS 79 3.291 -6.825 14.347 599 HA LYS 79 HA LYS 79 1.857 -7.022 11.772 600 1HB LYS 79 HB2 LYS 79 2.853 -9.252 12.164 601 2HB LYS 79 HB3 LYS 79 2.058 -9.340 13.750 602 1HG LYS 79 HG2 LYS 79 -0.145 -9.207 12.641 603 2HG LYS 79 HG3 LYS 79 0.657 -9.013 11.064 604 1HD LYS 79 HD2 LYS 79 1.631 -11.267 11.266 605 2HD LYS 79 HD3 LYS 79 0.854 -11.474 12.855 606 1HE LYS 79 HE2 LYS 79 -1.372 -11.245 11.839 607 2HE LYS 79 HE3 LYS 79 -0.652 -10.881 10.265 608 1HZ LYS 79 HZ1 LYS 79 -1.359 -13.178 10.401 609 2HZ LYS 79 HZ2 LYS 79 0.263 -13.095 10.204 610 3HZ LYS 79 HZ3 LYS 79 -0.379 -13.469 11.674 611 H ASP 80 H ASP 80 0.077 -5.909 12.052 612 HA ASP 80 HA ASP 80 -1.667 -4.835 12.957 613 1HB ASP 80 HB2 ASP 80 -2.475 -7.157 12.892 614 2HB ASP 80 HB3 ASP 80 -1.960 -7.391 14.564 615 H GLY 81 H GLY 81 0.744 -4.045 14.093 616 1HA GLY 81 HA2 GLY 81 0.951 -2.209 15.475 617 2HA GLY 81 HA3 GLY 81 -0.325 -2.802 16.532 618 H GLU 82 H GLU 82 1.687 -5.490 16.276 619 HA GLU 82 HA GLU 82 3.500 -4.546 18.439 620 1HB GLU 82 HB2 GLU 82 2.977 -6.452 19.725 621 2HB GLU 82 HB3 GLU 82 1.445 -5.717 19.221 622 1HG GLU 82 HG2 GLU 82 1.164 -7.443 17.485 623 2HG GLU 82 HG3 GLU 82 2.691 -8.194 17.959 624 H VAL 83 H VAL 83 5.498 -5.786 18.644 625 HA VAL 83 HA VAL 83 6.668 -6.404 16.100 626 HB VAL 83 HB VAL 83 7.719 -7.027 18.884 627 1HG1 VAL 83 HG11 VAL 83 9.944 -6.945 17.755 628 2HG1 VAL 83 HG12 VAL 83 8.947 -8.251 17.124 629 3HG1 VAL 83 HG13 VAL 83 9.138 -6.756 16.182 630 1HG2 VAL 83 HG21 VAL 83 8.128 -4.565 17.117 631 2HG2 VAL 83 HG22 VAL 83 7.279 -4.607 18.679 632 3HG2 VAL 83 HG23 VAL 83 9.011 -4.925 18.611 633 H VAL 84 H VAL 84 6.835 -8.178 15.031 634 HA VAL 84 HA VAL 84 6.041 -10.753 16.260 635 HB VAL 84 HB VAL 84 4.471 -9.608 14.575 636 1HG1 VAL 84 HG11 VAL 84 4.879 -10.121 12.192 637 2HG1 VAL 84 HG12 VAL 84 6.032 -8.958 12.846 638 3HG1 VAL 84 HG13 VAL 84 6.521 -10.646 12.584 639 1HG2 VAL 84 HG21 VAL 84 5.300 -12.484 14.178 640 2HG2 VAL 84 HG22 VAL 84 4.114 -11.852 15.334 641 3HG2 VAL 84 HG23 VAL 84 3.781 -11.743 13.600 642 H GLU 85 H GLU 85 8.597 -8.952 14.541 643 HA GLU 85 HA GLU 85 10.388 -11.071 15.300 644 1HB GLU 85 HB2 GLU 85 9.406 -11.136 12.567 645 2HB GLU 85 HB3 GLU 85 11.090 -10.681 12.519 646 1HG GLU 85 HG2 GLU 85 10.038 -13.154 13.957 647 2HG GLU 85 HG3 GLU 85 10.671 -13.125 12.316 648 H THR 86 H THR 86 12.717 -10.459 14.684 649 HA THR 86 HA THR 86 13.117 -7.577 14.102 650 HB THR 86 HB THR 86 14.615 -9.083 16.278 651 HG1 THR 86 HG1 THR 86 12.450 -8.813 16.894 652 1HG2 THR 86 HG21 THR 86 15.226 -6.774 17.044 653 2HG2 THR 86 HG22 THR 86 15.867 -7.164 15.446 654 3HG2 THR 86 HG23 THR 86 14.440 -6.119 15.592 655 H SER 87 H SER 87 15.137 -7.208 12.983 656 HA SER 87 HA SER 87 17.103 -9.348 12.710 657 1HB SER 87 HB2 SER 87 15.566 -8.219 10.327 658 2HB SER 87 HB3 SER 87 17.102 -9.091 10.184 659 HG SER 87 HG SER 87 15.175 -10.325 11.730 660 H VAL 88 H VAL 88 19.158 -8.414 11.781 661 HA VAL 88 HA VAL 88 19.290 -5.446 11.922 662 HB VAL 88 HB VAL 88 21.171 -7.376 13.324 663 1HG1 VAL 88 HG11 VAL 88 22.073 -5.306 14.403 664 2HG1 VAL 88 HG12 VAL 88 22.337 -5.328 12.662 665 3HG1 VAL 88 HG13 VAL 88 21.036 -4.328 13.344 666 1HG2 VAL 88 HG21 VAL 88 19.053 -7.333 14.574 667 2HG2 VAL 88 HG22 VAL 88 20.289 -6.443 15.455 668 3HG2 VAL 88 HG23 VAL 88 19.053 -5.556 14.542 669 H GLY 89 H GLY 89 20.894 -4.547 10.560 670 1HA GLY 89 HA2 GLY 89 22.602 -4.488 9.019 671 2HA GLY 89 HA3 GLY 89 22.867 -6.220 9.235 672 H PHE 90 H PHE 90 23.202 -5.805 6.817 673 HA PHE 90 HA PHE 90 21.006 -5.329 5.064 674 1HB PHE 90 HB2 PHE 90 23.396 -5.041 4.481 675 2HB PHE 90 HB3 PHE 90 23.651 -6.775 4.621 676 HD1 PHE 90 HD1 PHE 90 22.809 -8.333 2.887 677 HD2 PHE 90 HD2 PHE 90 22.242 -4.067 2.546 678 HE1 PHE 90 HE1 PHE 90 22.163 -8.606 0.508 679 HE2 PHE 90 HE2 PHE 90 21.615 -4.349 0.159 680 HZ PHE 90 HZ PHE 90 21.564 -6.616 -0.858 681 H LYS 91 H LYS 91 19.780 -6.805 3.794 682 HA LYS 91 HA LYS 91 20.223 -9.651 3.970 683 1HB LYS 91 HB2 LYS 91 17.642 -8.402 5.028 684 2HB LYS 91 HB3 LYS 91 17.612 -9.934 4.171 685 1HG LYS 91 HG2 LYS 91 17.898 -10.878 6.164 686 2HG LYS 91 HG3 LYS 91 19.596 -10.534 5.893 687 1HD LYS 91 HD2 LYS 91 19.052 -8.251 7.161 688 2HD LYS 91 HD3 LYS 91 17.576 -9.093 7.638 689 1HE LYS 91 HE2 LYS 91 19.009 -9.669 9.403 690 2HE LYS 91 HE3 LYS 91 19.178 -11.055 8.321 691 1HZ LYS 91 HZ1 LYS 91 21.155 -9.583 7.411 692 2HZ LYS 91 HZ2 LYS 91 21.056 -8.901 8.904 693 3HZ LYS 91 HZ3 LYS 91 21.355 -10.500 8.773 694 HA PRO 92 HA PRO 92 19.017 -8.738 -0.251 695 1HB PRO 92 HB2 PRO 92 18.745 -11.254 -1.294 696 2HB PRO 92 HB3 PRO 92 20.332 -10.558 -0.849 697 1HG PRO 92 HG2 PRO 92 18.594 -12.423 0.793 698 2HG PRO 92 HG3 PRO 92 20.345 -12.566 0.445 699 1HD PRO 92 HD2 PRO 92 19.413 -11.467 2.766 700 2HD PRO 92 HD3 PRO 92 20.884 -10.846 1.962 701 H LYS 93 H LYS 93 17.152 -8.968 -1.691 702 HA LYS 93 HA LYS 93 14.692 -8.683 -0.370 703 1HB LYS 93 HB2 LYS 93 13.678 -8.661 -2.604 704 2HB LYS 93 HB3 LYS 93 15.084 -7.623 -2.460 705 1HG LYS 93 HG2 LYS 93 16.408 -9.614 -3.552 706 2HG LYS 93 HG3 LYS 93 14.801 -10.230 -3.982 707 1HD LYS 93 HD2 LYS 93 14.327 -8.013 -5.084 708 2HD LYS 93 HD3 LYS 93 15.988 -7.504 -4.683 709 1HE LYS 93 HE2 LYS 93 16.783 -9.564 -5.989 710 2HE LYS 93 HE3 LYS 93 15.104 -9.795 -6.495 711 1HZ LYS 93 HZ1 LYS 93 15.236 -7.484 -7.450 712 2HZ LYS 93 HZ2 LYS 93 16.842 -7.490 -7.134 713 3HZ LYS 93 HZ3 LYS 93 16.225 -8.574 -8.179 714 H GLU 94 H GLU 94 16.080 -11.625 -1.741 715 HA GLU 94 HA GLU 94 13.689 -13.182 -1.617 716 1HB GLU 94 HB2 GLU 94 16.619 -14.005 -1.428 717 2HB GLU 94 HB3 GLU 94 15.262 -15.134 -1.577 718 1HG GLU 94 HG2 GLU 94 14.607 -14.050 -3.725 719 2HG GLU 94 HG3 GLU 94 16.003 -12.977 -3.604 720 H ALA 95 H ALA 95 16.372 -12.738 0.772 721 HA ALA 95 HA ALA 95 15.214 -14.408 2.766 722 1HB ALA 95 HB1 ALA 95 17.602 -13.774 2.777 723 2HB ALA 95 HB2 ALA 95 17.153 -12.073 3.064 724 3HB ALA 95 HB3 ALA 95 16.812 -13.305 4.294 725 H LEU 96 H LEU 96 14.993 -10.907 2.103 726 HA LEU 96 HA LEU 96 13.402 -10.223 4.344 727 1HB LEU 96 HB2 LEU 96 13.607 -9.040 1.567 728 2HB LEU 96 HB3 LEU 96 12.653 -8.313 2.854 729 HG LEU 96 HG LEU 96 15.647 -8.813 3.122 730 1HD1 LEU 96 HD11 LEU 96 15.242 -7.265 1.278 731 2HD1 LEU 96 HD12 LEU 96 14.208 -6.255 2.311 732 3HD1 LEU 96 HD13 LEU 96 15.946 -6.420 2.652 733 1HD2 LEU 96 HD21 LEU 96 15.472 -7.140 4.946 734 2HD2 LEU 96 HD22 LEU 96 13.711 -7.092 4.730 735 3HD2 LEU 96 HD23 LEU 96 14.514 -8.580 5.284 736 H GLN 97 H GLN 97 12.417 -11.297 1.054 737 HA GLN 97 HA GLN 97 9.629 -11.081 1.550 738 1HB GLN 97 HB2 GLN 97 11.323 -12.777 -0.324 739 2HB GLN 97 HB3 GLN 97 9.611 -13.148 -0.165 740 1HG GLN 97 HG2 GLN 97 8.913 -11.075 -1.011 741 2HG GLN 97 HG3 GLN 97 10.522 -10.346 -0.819 742 1HE2 GLN 97 HE22 GLN 97 12.240 -11.049 -2.222 743 2HE2 GLN 97 HE21 GLN 97 11.872 -11.670 -3.832 744 H GLU 98 H GLU 98 11.930 -13.726 2.256 745 HA GLU 98 HA GLU 98 9.880 -15.512 3.161 746 1HB GLU 98 HB2 GLU 98 12.874 -15.437 3.694 747 2HB GLU 98 HB3 GLU 98 11.808 -16.682 4.357 748 1HG GLU 98 HG2 GLU 98 11.065 -17.279 2.062 749 2HG GLU 98 HG3 GLU 98 12.187 -16.101 1.389 750 H LEU 99 H LEU 99 11.854 -13.065 4.846 751 HA LEU 99 HA LEU 99 11.007 -13.601 7.484 752 1HB LEU 99 HB2 LEU 99 12.990 -12.303 6.886 753 2HB LEU 99 HB3 LEU 99 11.999 -11.110 6.052 754 HG LEU 99 HG LEU 99 10.939 -10.460 8.151 755 1HD1 LEU 99 HD11 LEU 99 11.138 -12.487 9.505 756 2HD1 LEU 99 HD12 LEU 99 12.913 -12.438 9.388 757 3HD1 LEU 99 HD13 LEU 99 12.040 -11.203 10.316 758 1HD2 LEU 99 HD21 LEU 99 12.910 -9.271 9.061 759 2HD2 LEU 99 HD22 LEU 99 13.982 -10.371 8.165 760 3HD2 LEU 99 HD23 LEU 99 12.900 -9.267 7.289 761 H VAL 100 H VAL 100 9.549 -11.548 4.879 762 HA VAL 100 HA VAL 100 7.371 -10.645 6.522 763 HB VAL 100 HB VAL 100 7.668 -10.956 3.513 764 1HG1 VAL 100 HG11 VAL 100 5.572 -9.422 5.102 765 2HG1 VAL 100 HG12 VAL 100 5.850 -9.230 3.356 766 3HG1 VAL 100 HG13 VAL 100 5.301 -10.780 3.991 767 1HG2 VAL 100 HG21 VAL 100 9.269 -9.311 4.759 768 2HG2 VAL 100 HG22 VAL 100 8.400 -8.775 3.337 769 3HG2 VAL 100 HG23 VAL 100 7.832 -8.310 4.972 770 H ASN 101 H ASN 101 7.814 -13.307 4.210 771 HA ASN 101 HA ASN 101 5.197 -14.147 3.906 772 1HB ASN 101 HB2 ASN 101 7.159 -14.829 2.512 773 2HB ASN 101 HB3 ASN 101 7.689 -15.898 3.815 774 1HD2 ASN 101 HD21 ASN 101 5.567 -15.502 1.107 775 2HD2 ASN 101 HD22 ASN 101 4.754 -17.041 1.228 776 H LYS 102 H LYS 102 7.554 -15.170 6.367 777 HA LYS 102 HA LYS 102 5.965 -17.356 7.318 778 1HB LYS 102 HB2 LYS 102 7.555 -17.505 9.138 779 2HB LYS 102 HB3 LYS 102 8.370 -17.272 7.588 780 1HG LYS 102 HG2 LYS 102 8.675 -14.852 8.141 781 2HG LYS 102 HG3 LYS 102 7.854 -15.126 9.678 782 1HD LYS 102 HD2 LYS 102 10.236 -15.036 10.045 783 2HD LYS 102 HD3 LYS 102 9.650 -16.673 10.377 784 1HE LYS 102 HE2 LYS 102 10.435 -17.416 8.139 785 2HE LYS 102 HE3 LYS 102 10.974 -15.777 7.768 786 1HZ LYS 102 HZ1 LYS 102 12.573 -15.976 9.605 787 2HZ LYS 102 HZ2 LYS 102 12.062 -17.493 9.933 788 3HZ LYS 102 HZ3 LYS 102 12.802 -17.172 8.520 789 H HIS 103 H HIS 103 5.300 -14.076 7.663 790 HA HIS 103 HA HIS 103 3.608 -14.612 10.071 791 1HB HIS 103 HB2 HIS 103 4.809 -11.965 9.192 792 2HB HIS 103 HB3 HIS 103 3.815 -12.244 10.621 793 HD1 HIS 103 HD1 HIS 103 5.080 -14.269 12.356 794 HD2 HIS 103 HD2 HIS 103 7.335 -11.998 9.634 795 HE1 HIS 103 HE1 HIS 103 7.491 -14.358 13.175 796 H LEU 104 H LEU 104 3.460 -14.096 6.712 797 HA LEU 104 HA LEU 104 1.128 -12.428 6.566 798 1HB LEU 104 HB2 LEU 104 2.249 -14.553 4.700 799 2HB LEU 104 HB3 LEU 104 0.825 -13.588 4.329 800 HG LEU 104 HG LEU 104 3.651 -12.529 4.715 801 1HD1 LEU 104 HD11 LEU 104 1.877 -12.660 2.241 802 2HD1 LEU 104 HD12 LEU 104 3.527 -12.012 2.325 803 3HD1 LEU 104 HD13 LEU 104 3.242 -13.741 2.585 804 1HD2 LEU 104 HD21 LEU 104 2.143 -10.801 5.509 805 2HD2 LEU 104 HD22 LEU 104 2.700 -10.346 3.904 806 3HD2 LEU 104 HD23 LEU 104 1.070 -11.027 4.110 Start of MODEL 8 1 1H MET 1 H1 MET 1 -1.202 -0.960 0.027 2 2H MET 1 H2 MET 1 -0.443 -0.290 -1.272 3 3H MET 1 H3 MET 1 0.158 -1.652 -0.595 4 HA MET 1 HA MET 1 0.033 0.986 0.686 5 1HB MET 1 HB2 MET 1 1.259 -1.612 1.701 6 2HB MET 1 HB3 MET 1 1.473 -0.038 2.448 7 1HG MET 1 HG2 MET 1 -0.161 -1.038 3.742 8 2HG MET 1 HG3 MET 1 -1.032 0.100 2.730 9 1HE MET 1 HE1 MET 1 -1.209 -4.532 2.520 10 2HE MET 1 HE2 MET 1 0.264 -3.684 2.009 11 3HE MET 1 HE3 MET 1 -0.291 -3.569 3.697 12 H ALA 2 H ALA 2 2.596 1.359 1.425 13 HA ALA 2 HA ALA 2 4.424 0.870 -0.802 14 1HB ALA 2 HB1 ALA 2 3.506 3.686 -0.051 15 2HB ALA 2 HB2 ALA 2 4.766 3.271 -1.233 16 3HB ALA 2 HB3 ALA 2 3.083 2.840 -1.558 17 H ILE 3 H ILE 3 6.470 2.510 -0.121 18 HA ILE 3 HA ILE 3 7.159 1.909 2.664 19 HB ILE 3 HB ILE 3 8.528 3.578 0.521 20 1HG1 ILE 3 HG12 ILE 3 9.812 1.048 1.484 21 2HG1 ILE 3 HG13 ILE 3 8.324 0.795 0.588 22 1HG2 ILE 3 HG21 ILE 3 9.570 2.726 3.264 23 2HG2 ILE 3 HG22 ILE 3 10.578 3.401 1.965 24 3HG2 ILE 3 HG23 ILE 3 9.305 4.385 2.685 25 1HD1 ILE 3 HD11 ILE 3 10.667 2.447 -0.420 26 2HD1 ILE 3 HD12 ILE 3 10.276 0.776 -0.877 27 3HD1 ILE 3 HD13 ILE 3 9.150 2.090 -1.295 28 H VAL 4 H VAL 4 7.199 3.438 4.302 29 HA VAL 4 HA VAL 4 5.975 6.112 3.866 30 HB VAL 4 HB VAL 4 5.243 4.097 6.037 31 1HG1 VAL 4 HG11 VAL 4 4.817 6.303 6.883 32 2HG1 VAL 4 HG12 VAL 4 4.029 6.803 5.358 33 3HG1 VAL 4 HG13 VAL 4 3.280 5.610 6.439 34 1HG2 VAL 4 HG21 VAL 4 2.995 3.963 4.895 35 2HG2 VAL 4 HG22 VAL 4 3.691 4.845 3.522 36 3HG2 VAL 4 HG23 VAL 4 4.302 3.236 3.976 37 H LYS 5 H LYS 5 6.372 7.459 5.866 38 HA LYS 5 HA LYS 5 8.955 6.840 7.228 39 1HB LYS 5 HB2 LYS 5 9.109 8.683 5.502 40 2HB LYS 5 HB3 LYS 5 7.846 9.542 6.382 41 1HG LYS 5 HG2 LYS 5 9.892 10.560 6.979 42 2HG LYS 5 HG3 LYS 5 9.344 9.669 8.384 43 1HD LYS 5 HD2 LYS 5 11.778 9.459 8.034 44 2HD LYS 5 HD3 LYS 5 10.973 7.902 7.974 45 1HE LYS 5 HE2 LYS 5 12.660 8.005 6.228 46 2HE LYS 5 HE3 LYS 5 11.052 7.895 5.514 47 1HZ LYS 5 HZ1 LYS 5 11.163 10.287 5.056 48 2HZ LYS 5 HZ2 LYS 5 12.628 10.410 5.765 49 3HZ LYS 5 HZ3 LYS 5 12.449 9.548 4.396 50 H ALA 6 H ALA 6 8.826 7.266 9.470 51 HA ALA 6 HA ALA 6 6.300 8.351 10.588 52 1HB ALA 6 HB1 ALA 6 7.399 5.585 11.262 53 2HB ALA 6 HB2 ALA 6 6.025 6.378 12.059 54 3HB ALA 6 HB3 ALA 6 5.900 5.919 10.355 55 H THR 7 H THR 7 6.410 8.569 12.934 56 HA THR 7 HA THR 7 9.071 8.677 14.172 57 HB THR 7 HB THR 7 8.232 10.783 15.342 58 HG1 THR 7 HG1 THR 7 6.663 11.985 14.255 59 1HG2 THR 7 HG21 THR 7 9.992 10.875 13.577 60 2HG2 THR 7 HG22 THR 7 8.737 11.071 12.336 61 3HG2 THR 7 HG23 THR 7 8.980 12.324 13.575 62 H ASP 8 H ASP 8 8.710 8.849 16.605 63 HA ASP 8 HA ASP 8 7.260 6.764 17.593 64 1HB ASP 8 HB2 ASP 8 9.061 8.152 18.742 65 2HB ASP 8 HB3 ASP 8 7.817 9.331 19.127 66 H GLN 9 H GLN 9 6.058 9.988 16.959 67 HA GLN 9 HA GLN 9 3.711 10.020 18.535 68 1HB GLN 9 HB2 GLN 9 4.344 11.375 15.880 69 2HB GLN 9 HB3 GLN 9 2.998 11.803 16.940 70 1HG GLN 9 HG2 GLN 9 4.600 12.396 18.750 71 2HG GLN 9 HG3 GLN 9 5.953 12.029 17.676 72 1HE2 GLN 9 HE22 GLN 9 3.381 14.359 18.393 73 2HE2 GLN 9 HE21 GLN 9 3.919 15.583 17.271 74 H SER 10 H SER 10 4.365 8.509 15.410 75 HA SER 10 HA SER 10 1.488 7.714 15.161 76 1HB SER 10 HB2 SER 10 3.298 8.671 12.914 77 2HB SER 10 HB3 SER 10 1.576 8.267 12.807 78 HG SER 10 HG SER 10 1.936 10.526 12.961 79 H PHE 11 H PHE 11 4.699 6.565 15.248 80 HA PHE 11 HA PHE 11 4.852 4.589 13.354 81 1HB PHE 11 HB2 PHE 11 6.619 5.248 14.961 82 2HB PHE 11 HB3 PHE 11 5.743 4.466 16.269 83 HD1 PHE 11 HD1 PHE 11 7.607 3.926 13.097 84 HD2 PHE 11 HD2 PHE 11 5.868 2.045 16.571 85 HE1 PHE 11 HE1 PHE 11 8.794 1.836 12.556 86 HE2 PHE 11 HE2 PHE 11 7.044 -0.067 16.006 87 HZ PHE 11 HZ PHE 11 8.514 -0.179 14.014 88 H SER 12 H SER 12 3.204 4.272 16.561 89 HA SER 12 HA SER 12 2.515 1.576 16.285 90 1HB SER 12 HB2 SER 12 0.900 3.686 17.756 91 2HB SER 12 HB3 SER 12 1.048 1.962 18.146 92 HG SER 12 HG SER 12 2.376 3.284 19.475 93 H ALA 13 H ALA 13 0.811 4.476 15.109 94 HA ALA 13 HA ALA 13 -1.571 3.057 14.340 95 1HB ALA 13 HB1 ALA 13 -2.126 5.116 13.106 96 2HB ALA 13 HB2 ALA 13 -1.583 5.500 14.750 97 3HB ALA 13 HB3 ALA 13 -0.488 5.742 13.368 98 H GLU 14 H GLU 14 1.413 4.099 12.677 99 HA GLU 14 HA GLU 14 0.607 3.205 10.104 100 1HB GLU 14 HB2 GLU 14 3.372 3.661 11.309 101 2HB GLU 14 HB3 GLU 14 3.142 3.161 9.638 102 1HG GLU 14 HG2 GLU 14 2.131 5.735 10.895 103 2HG GLU 14 HG3 GLU 14 3.464 5.563 9.751 104 H THR 15 H THR 15 2.198 1.475 12.786 105 HA THR 15 HA THR 15 2.625 -0.870 11.179 106 HB THR 15 HB THR 15 3.463 -1.781 13.375 107 HG1 THR 15 HG1 THR 15 3.316 0.910 14.211 108 1HG2 THR 15 HG21 THR 15 4.646 0.796 12.234 109 2HG2 THR 15 HG22 THR 15 5.475 -0.261 13.385 110 3HG2 THR 15 HG23 THR 15 5.039 -0.875 11.785 111 H SER 16 H SER 16 -0.237 0.245 12.291 112 HA SER 16 HA SER 16 -1.197 -2.391 13.207 113 1HB SER 16 HB2 SER 16 -2.400 0.391 13.486 114 2HB SER 16 HB3 SER 16 -3.155 -1.107 14.057 115 HG SER 16 HG SER 16 -0.780 0.135 14.962 116 H GLU 17 H GLU 17 -0.616 -1.890 10.412 117 HA GLU 17 HA GLU 17 -3.319 -2.416 9.276 118 1HB GLU 17 HB2 GLU 17 -1.246 -0.525 8.102 119 2HB GLU 17 HB3 GLU 17 -2.699 -1.105 7.266 120 1HG GLU 17 HG2 GLU 17 -4.071 -0.156 9.191 121 2HG GLU 17 HG3 GLU 17 -2.596 0.649 9.746 122 H GLY 18 H GLY 18 -2.035 -4.541 10.010 123 1HA GLY 18 HA2 GLY 18 -1.937 -6.598 8.835 124 2HA GLY 18 HA3 GLY 18 -1.292 -5.772 7.414 125 H VAL 19 H VAL 19 0.490 -7.197 7.291 126 HA VAL 19 HA VAL 19 2.510 -7.247 9.433 127 HB VAL 19 HB VAL 19 2.723 -8.087 6.500 128 1HG1 VAL 19 HG11 VAL 19 4.561 -8.650 8.880 129 2HG1 VAL 19 HG12 VAL 19 4.742 -9.334 7.251 130 3HG1 VAL 19 HG13 VAL 19 4.950 -7.600 7.504 131 1HG2 VAL 19 HG21 VAL 19 2.258 -9.794 8.989 132 2HG2 VAL 19 HG22 VAL 19 1.090 -9.519 7.679 133 3HG2 VAL 19 HG23 VAL 19 2.576 -10.410 7.353 134 H VAL 20 H VAL 20 4.134 -5.753 9.584 135 HA VAL 20 HA VAL 20 4.532 -3.794 7.409 136 HB VAL 20 HB VAL 20 4.115 -3.094 10.353 137 1HG1 VAL 20 HG11 VAL 20 4.162 -0.729 9.491 138 2HG1 VAL 20 HG12 VAL 20 5.709 -1.556 9.307 139 3HG1 VAL 20 HG13 VAL 20 4.640 -1.352 7.905 140 1HG2 VAL 20 HG21 VAL 20 2.078 -1.800 9.376 141 2HG2 VAL 20 HG22 VAL 20 2.281 -2.787 7.934 142 3HG2 VAL 20 HG23 VAL 20 1.929 -3.551 9.492 143 H LEU 21 H LEU 21 6.722 -3.172 7.275 144 HA LEU 21 HA LEU 21 8.596 -4.543 9.163 145 1HB LEU 21 HB2 LEU 21 8.284 -5.713 6.999 146 2HB LEU 21 HB3 LEU 21 8.938 -4.296 6.155 147 HG LEU 21 HG LEU 21 10.351 -6.045 8.224 148 1HD1 LEU 21 HD11 LEU 21 11.667 -6.876 6.333 149 2HD1 LEU 21 HD12 LEU 21 9.947 -7.149 6.042 150 3HD1 LEU 21 HD13 LEU 21 10.781 -5.812 5.219 151 1HD2 LEU 21 HD21 LEU 21 12.443 -4.878 7.350 152 2HD2 LEU 21 HD22 LEU 21 11.372 -3.630 6.692 153 3HD2 LEU 21 HD23 LEU 21 11.430 -3.951 8.450 154 H ALA 22 H ALA 22 9.316 -2.942 10.363 155 HA ALA 22 HA ALA 22 9.508 -0.219 9.307 156 1HB ALA 22 HB1 ALA 22 9.975 -1.441 12.046 157 2HB ALA 22 HB2 ALA 22 10.134 0.289 11.672 158 3HB ALA 22 HB3 ALA 22 8.546 -0.511 11.526 159 H ASP 23 H ASP 23 11.469 0.873 9.165 160 HA ASP 23 HA ASP 23 13.997 -0.724 9.264 161 1HB ASP 23 HB2 ASP 23 13.439 -0.448 6.956 162 2HB ASP 23 HB3 ASP 23 13.006 1.247 7.190 163 H PHE 24 H PHE 24 14.669 -0.061 11.177 164 HA PHE 24 HA PHE 24 14.607 2.722 12.109 165 1HB PHE 24 HB2 PHE 24 15.707 0.106 13.229 166 2HB PHE 24 HB3 PHE 24 16.035 1.670 13.947 167 HD1 PHE 24 HD1 PHE 24 13.076 -0.405 12.793 168 HD2 PHE 24 HD2 PHE 24 14.603 2.443 15.654 169 HE1 PHE 24 HE1 PHE 24 10.873 -0.317 13.911 170 HE2 PHE 24 HE2 PHE 24 12.386 2.540 16.735 171 HZ PHE 24 HZ PHE 24 10.491 1.206 15.814 172 H TRP 25 H TRP 25 15.950 4.093 11.208 173 HA TRP 25 HA TRP 25 18.651 3.342 10.428 174 1HB TRP 25 HB2 TRP 25 18.256 3.164 8.254 175 2HB TRP 25 HB3 TRP 25 16.543 3.224 8.550 176 HD1 TRP 25 HD1 TRP 25 19.270 5.017 6.802 177 HE1 TRP 25 HE1 TRP 25 18.410 7.166 5.719 178 HE3 TRP 25 HE3 TRP 25 14.800 5.434 9.223 179 HZ2 TRP 25 HZ2 TRP 25 16.351 9.111 6.249 180 HZ3 TRP 25 HZ3 TRP 25 13.470 7.535 9.031 181 HH2 TRP 25 HH2 TRP 25 14.289 9.405 7.606 182 H ALA 26 H ALA 26 19.481 5.627 9.236 183 HA ALA 26 HA ALA 26 18.231 7.993 10.229 184 1HB ALA 26 HB1 ALA 26 21.007 7.275 11.282 185 2HB ALA 26 HB2 ALA 26 20.226 8.868 11.440 186 3HB ALA 26 HB3 ALA 26 19.541 7.470 12.273 187 HA PRO 27 HA PRO 27 20.128 8.845 6.372 188 1HB PRO 27 HB2 PRO 27 20.309 11.599 6.246 189 2HB PRO 27 HB3 PRO 27 18.819 10.635 6.043 190 1HG PRO 27 HG2 PRO 27 19.812 12.055 8.530 191 2HG PRO 27 HG3 PRO 27 18.143 11.996 7.872 192 1HD PRO 27 HD2 PRO 27 18.978 10.397 9.933 193 2HD PRO 27 HD3 PRO 27 17.781 9.842 8.725 194 H TRP 28 H TRP 28 21.970 9.692 9.228 195 HA TRP 28 HA TRP 28 24.381 10.355 7.761 196 1HB TRP 28 HB2 TRP 28 25.541 10.082 9.834 197 2HB TRP 28 HB3 TRP 28 24.079 11.004 10.109 198 HD1 TRP 28 HD1 TRP 28 22.357 10.050 11.806 199 HE1 TRP 28 HE1 TRP 28 22.355 8.150 13.504 200 HE3 TRP 28 HE3 TRP 28 26.486 7.499 10.160 201 HZ2 TRP 28 HZ2 TRP 28 23.864 5.725 14.002 202 HZ3 TRP 28 HZ3 TRP 28 27.153 5.376 11.242 203 HH2 TRP 28 HH2 TRP 28 25.847 4.474 13.156 204 H CYS 29 H CYS 29 22.642 7.413 8.301 205 HA CYS 29 HA CYS 29 24.668 5.536 8.702 206 1HB CYS 29 HB2 CYS 29 22.157 5.302 8.979 207 2HB CYS 29 HB3 CYS 29 22.033 5.208 7.250 208 H GLY 30 H GLY 30 25.684 4.037 7.293 209 1HA GLY 30 HA2 GLY 30 25.935 4.797 4.419 210 2HA GLY 30 HA3 GLY 30 27.063 3.812 5.352 211 HA PRO 31 HA PRO 31 25.172 0.139 4.056 212 1HB PRO 31 HB2 PRO 31 24.419 -1.419 6.234 213 2HB PRO 31 HB3 PRO 31 26.092 -1.167 5.659 214 1HG PRO 31 HG2 PRO 31 24.669 0.222 7.928 215 2HG PRO 31 HG3 PRO 31 26.355 -0.362 7.858 216 1HD PRO 31 HD2 PRO 31 25.635 2.255 7.482 217 2HD PRO 31 HD3 PRO 31 27.044 1.534 6.643 218 H CYS 32 H CYS 32 23.004 1.866 6.296 219 HA CYS 32 HA CYS 32 20.565 0.638 5.600 220 1HB CYS 32 HB2 CYS 32 20.928 3.619 5.958 221 2HB CYS 32 HB3 CYS 32 19.491 2.651 6.236 222 H LYS 33 H LYS 33 22.591 2.954 3.756 223 HA LYS 33 HA LYS 33 20.563 3.617 1.838 224 1HB LYS 33 HB2 LYS 33 23.568 3.785 1.425 225 2HB LYS 33 HB3 LYS 33 22.320 4.734 0.633 226 1HG LYS 33 HG2 LYS 33 23.133 4.922 3.565 227 2HG LYS 33 HG3 LYS 33 23.584 6.034 2.281 228 1HD LYS 33 HD2 LYS 33 21.270 6.790 2.038 229 2HD LYS 33 HD3 LYS 33 20.700 5.549 3.158 230 1HE LYS 33 HE2 LYS 33 20.823 7.730 4.289 231 2HE LYS 33 HE3 LYS 33 21.931 6.544 5.016 232 1HZ LYS 33 HZ1 LYS 33 23.747 7.593 4.081 233 2HZ LYS 33 HZ2 LYS 33 22.862 8.536 3.037 234 3HZ LYS 33 HZ3 LYS 33 22.842 8.816 4.655 235 H MET 34 H MET 34 22.822 0.898 2.158 236 HA MET 34 HA MET 34 22.567 0.243 -0.652 237 1HB MET 34 HB2 MET 34 24.296 -1.169 -0.418 238 2HB MET 34 HB3 MET 34 24.630 -0.037 0.888 239 1HG MET 34 HG2 MET 34 23.484 -1.772 2.427 240 2HG MET 34 HG3 MET 34 23.598 -2.875 1.060 241 1HE MET 34 HE1 MET 34 24.950 -4.515 2.786 242 2HE MET 34 HE2 MET 34 26.378 -3.977 3.695 243 3HE MET 34 HE3 MET 34 24.790 -3.253 4.034 244 H ILE 35 H ILE 35 21.148 -0.876 2.409 245 HA ILE 35 HA ILE 35 19.620 -2.931 1.041 246 HB ILE 35 HB ILE 35 20.245 -3.196 3.386 247 1HG1 ILE 35 HG12 ILE 35 17.235 -3.222 2.957 248 2HG1 ILE 35 HG13 ILE 35 18.362 -4.434 2.341 249 1HG2 ILE 35 HG21 ILE 35 19.091 -2.013 5.186 250 2HG2 ILE 35 HG22 ILE 35 19.977 -0.896 4.160 251 3HG2 ILE 35 HG23 ILE 35 18.206 -1.026 4.002 252 1HD1 ILE 35 HD11 ILE 35 17.728 -3.828 5.259 253 2HD1 ILE 35 HD12 ILE 35 17.302 -5.274 4.334 254 3HD1 ILE 35 HD13 ILE 35 18.999 -4.949 4.719 255 H ALA 36 H ALA 36 19.122 0.541 1.664 256 HA ALA 36 HA ALA 36 16.421 0.758 1.462 257 1HB ALA 36 HB1 ALA 36 17.875 2.667 1.827 258 2HB ALA 36 HB2 ALA 36 18.447 2.602 0.145 259 3HB ALA 36 HB3 ALA 36 16.755 2.993 0.494 260 HA PRO 37 HA PRO 37 16.120 0.537 -3.284 261 1HB PRO 37 HB2 PRO 37 18.051 -0.786 -4.754 262 2HB PRO 37 HB3 PRO 37 18.018 0.983 -4.486 263 1HG PRO 37 HG2 PRO 37 19.586 -1.107 -2.949 264 2HG PRO 37 HG3 PRO 37 20.171 0.456 -3.606 265 1HD PRO 37 HD2 PRO 37 19.476 0.222 -1.017 266 2HD PRO 37 HD3 PRO 37 19.035 1.688 -1.932 267 H VAL 38 H VAL 38 17.649 -2.071 -1.422 268 HA VAL 38 HA VAL 38 16.275 -4.196 -2.778 269 HB VAL 38 HB VAL 38 17.352 -4.289 0.063 270 1HG1 VAL 38 HG11 VAL 38 17.714 -6.656 -0.476 271 2HG1 VAL 38 HG12 VAL 38 16.015 -6.220 -0.678 272 3HG1 VAL 38 HG13 VAL 38 17.045 -6.404 -2.120 273 1HG2 VAL 38 HG21 VAL 38 19.484 -5.115 -0.887 274 2HG2 VAL 38 HG22 VAL 38 18.915 -4.713 -2.524 275 3HG2 VAL 38 HG23 VAL 38 19.201 -3.435 -1.324 276 H LEU 39 H LEU 39 15.564 -2.115 0.111 277 HA LEU 39 HA LEU 39 13.054 -3.357 0.658 278 1HB LEU 39 HB2 LEU 39 14.034 -0.531 1.218 279 2HB LEU 39 HB3 LEU 39 12.503 -1.169 1.799 280 HG LEU 39 HG LEU 39 15.203 -2.395 2.449 281 1HD1 LEU 39 HD11 LEU 39 14.954 -1.365 4.674 282 2HD1 LEU 39 HD12 LEU 39 15.026 -0.141 3.399 283 3HD1 LEU 39 HD13 LEU 39 13.465 -0.552 4.140 284 1HD2 LEU 39 HD21 LEU 39 13.983 -3.608 4.224 285 2HD2 LEU 39 HD22 LEU 39 12.454 -2.881 3.686 286 3HD2 LEU 39 HD23 LEU 39 13.326 -4.014 2.637 287 H GLU 40 H GLU 40 13.938 -0.703 -1.615 288 HA GLU 40 HA GLU 40 11.244 -0.256 -2.442 289 1HB GLU 40 HB2 GLU 40 13.837 0.085 -3.988 290 2HB GLU 40 HB3 GLU 40 12.250 0.546 -4.598 291 1HG GLU 40 HG2 GLU 40 11.928 2.062 -2.665 292 2HG GLU 40 HG3 GLU 40 13.533 1.651 -2.067 293 H GLU 41 H GLU 41 13.655 -2.650 -3.597 294 HA GLU 41 HA GLU 41 11.920 -3.802 -5.544 295 1HB GLU 41 HB2 GLU 41 14.331 -4.895 -4.056 296 2HB GLU 41 HB3 GLU 41 13.447 -5.824 -5.272 297 1HG GLU 41 HG2 GLU 41 13.859 -4.113 -6.970 298 2HG GLU 41 HG3 GLU 41 14.683 -3.087 -5.807 299 H LEU 42 H LEU 42 12.364 -4.477 -2.073 300 HA LEU 42 HA LEU 42 10.592 -6.685 -1.928 301 1HB LEU 42 HB2 LEU 42 12.190 -5.990 -0.107 302 2HB LEU 42 HB3 LEU 42 11.181 -4.582 0.211 303 HG LEU 42 HG LEU 42 9.260 -6.117 0.764 304 1HD1 LEU 42 HD11 LEU 42 11.408 -8.271 0.503 305 2HD1 LEU 42 HD12 LEU 42 9.823 -8.505 1.272 306 3HD1 LEU 42 HD13 LEU 42 9.915 -8.131 -0.453 307 1HD2 LEU 42 HD21 LEU 42 11.828 -6.354 2.362 308 2HD2 LEU 42 HD22 LEU 42 10.553 -5.145 2.545 309 3HD2 LEU 42 HD23 LEU 42 10.224 -6.833 2.962 310 H ASP 43 H ASP 43 10.009 -3.151 -1.594 311 HA ASP 43 HA ASP 43 7.267 -3.264 -0.979 312 1HB ASP 43 HB2 ASP 43 8.733 -1.203 -0.934 313 2HB ASP 43 HB3 ASP 43 8.646 -1.165 -2.706 314 H GLN 44 H GLN 44 8.943 -3.214 -4.114 315 HA GLN 44 HA GLN 44 6.536 -3.158 -5.669 316 1HB GLN 44 HB2 GLN 44 9.432 -3.775 -6.336 317 2HB GLN 44 HB3 GLN 44 8.154 -3.703 -7.560 318 1HG GLN 44 HG2 GLN 44 7.668 -1.394 -7.085 319 2HG GLN 44 HG3 GLN 44 8.675 -1.383 -5.639 320 1HE2 GLN 44 HE22 GLN 44 10.979 -1.524 -5.869 321 2HE2 GLN 44 HE21 GLN 44 11.784 -1.028 -7.359 322 H GLU 45 H GLU 45 7.941 -5.736 -3.912 323 HA GLU 45 HA GLU 45 6.713 -7.836 -5.613 324 1HB GLU 45 HB2 GLU 45 8.810 -7.830 -3.414 325 2HB GLU 45 HB3 GLU 45 8.074 -9.316 -4.016 326 1HG GLU 45 HG2 GLU 45 9.503 -7.322 -5.817 327 2HG GLU 45 HG3 GLU 45 10.306 -8.686 -5.045 328 H MET 46 H MET 46 6.580 -6.362 -2.385 329 HA MET 46 HA MET 46 4.408 -8.277 -1.646 330 1HB MET 46 HB2 MET 46 6.408 -6.894 0.171 331 2HB MET 46 HB3 MET 46 5.270 -8.166 0.609 332 1HG MET 46 HG2 MET 46 7.685 -8.412 -1.224 333 2HG MET 46 HG3 MET 46 7.543 -9.056 0.398 334 1HE MET 46 HE1 MET 46 5.104 -10.656 0.811 335 2HE MET 46 HE2 MET 46 5.491 -12.230 0.070 336 3HE MET 46 HE3 MET 46 6.747 -11.352 0.969 337 H GLY 47 H GLY 47 4.801 -4.992 -2.371 338 1HA GLY 47 HA2 GLY 47 3.712 -3.601 -0.280 339 2HA GLY 47 HA3 GLY 47 3.558 -3.149 -1.977 340 H ASP 48 H ASP 48 1.888 -5.869 -2.115 341 HA ASP 48 HA ASP 48 -0.708 -4.595 -1.772 342 1HB ASP 48 HB2 ASP 48 -0.247 -6.114 -3.678 343 2HB ASP 48 HB3 ASP 48 -0.008 -7.449 -2.546 344 H LYS 49 H LYS 49 1.411 -6.697 0.036 345 HA LYS 49 HA LYS 49 -0.707 -7.308 2.063 346 1HB LYS 49 HB2 LYS 49 1.887 -8.835 1.568 347 2HB LYS 49 HB3 LYS 49 0.546 -9.288 2.614 348 1HG LYS 49 HG2 LYS 49 0.594 -9.291 -0.423 349 2HG LYS 49 HG3 LYS 49 0.570 -10.684 0.658 350 1HD LYS 49 HD2 LYS 49 -1.721 -9.986 1.449 351 2HD LYS 49 HD3 LYS 49 -1.673 -8.665 0.264 352 1HE LYS 49 HE2 LYS 49 -1.084 -10.596 -1.442 353 2HE LYS 49 HE3 LYS 49 -1.794 -11.654 -0.213 354 1HZ LYS 49 HZ1 LYS 49 -3.086 -9.368 -1.578 355 2HZ LYS 49 HZ2 LYS 49 -3.447 -10.950 -1.810 356 3HZ LYS 49 HZ3 LYS 49 -3.819 -10.245 -0.382 357 H LEU 50 H LEU 50 2.399 -5.817 1.444 358 HA LEU 50 HA LEU 50 3.011 -5.626 4.336 359 1HB LEU 50 HB2 LEU 50 4.513 -7.000 2.864 360 2HB LEU 50 HB3 LEU 50 4.754 -5.582 1.838 361 HG LEU 50 HG LEU 50 5.856 -4.402 3.749 362 1HD1 LEU 50 HD11 LEU 50 4.831 -5.632 5.627 363 2HD1 LEU 50 HD12 LEU 50 5.614 -7.132 5.092 364 3HD1 LEU 50 HD13 LEU 50 6.580 -5.762 5.679 365 1HD2 LEU 50 HD21 LEU 50 7.024 -7.048 2.850 366 2HD2 LEU 50 HD22 LEU 50 7.194 -5.467 2.062 367 3HD2 LEU 50 HD23 LEU 50 7.941 -5.743 3.643 368 H LYS 51 H LYS 51 3.812 -3.686 5.120 369 HA LYS 51 HA LYS 51 3.927 -1.300 3.332 370 1HB LYS 51 HB2 LYS 51 1.948 -1.135 4.874 371 2HB LYS 51 HB3 LYS 51 3.020 -1.409 6.246 372 1HG LYS 51 HG2 LYS 51 4.301 0.707 5.491 373 2HG LYS 51 HG3 LYS 51 2.957 1.008 4.391 374 1HD LYS 51 HD2 LYS 51 2.752 0.690 7.423 375 2HD LYS 51 HD3 LYS 51 2.873 2.235 6.578 376 1HE LYS 51 HE2 LYS 51 0.751 1.769 5.378 377 2HE LYS 51 HE3 LYS 51 0.608 0.217 6.229 378 1HZ LYS 51 HZ1 LYS 51 -0.676 1.976 7.315 379 2HZ LYS 51 HZ2 LYS 51 0.529 1.434 8.305 380 3HZ LYS 51 HZ3 LYS 51 0.685 2.880 7.534 381 H ILE 52 H ILE 52 5.847 -0.035 3.797 382 HA ILE 52 HA ILE 52 7.761 -1.337 5.676 383 HB ILE 52 HB ILE 52 8.330 -0.026 3.006 384 1HG1 ILE 52 HG12 ILE 52 8.702 -2.905 3.960 385 2HG1 ILE 52 HG13 ILE 52 7.466 -2.341 2.834 386 1HG2 ILE 52 HG21 ILE 52 10.713 -0.495 3.428 387 2HG2 ILE 52 HG22 ILE 52 10.081 0.565 4.673 388 3HG2 ILE 52 HG23 ILE 52 10.317 -1.163 5.026 389 1HD1 ILE 52 HD11 ILE 52 10.444 -2.495 2.319 390 2HD1 ILE 52 HD12 ILE 52 9.128 -3.354 1.506 391 3HD1 ILE 52 HD13 ILE 52 9.314 -1.605 1.272 392 H VAL 53 H VAL 53 8.689 0.115 7.174 393 HA VAL 53 HA VAL 53 7.697 2.949 7.002 394 HB VAL 53 HB VAL 53 7.405 1.032 9.347 395 1HG1 VAL 53 HG11 VAL 53 6.256 2.933 10.480 396 2HG1 VAL 53 HG12 VAL 53 7.958 3.293 10.192 397 3HG1 VAL 53 HG13 VAL 53 6.717 4.003 9.134 398 1HG2 VAL 53 HG21 VAL 53 5.331 2.477 7.640 399 2HG2 VAL 53 HG22 VAL 53 5.668 0.739 7.619 400 3HG2 VAL 53 HG23 VAL 53 4.992 1.485 9.070 401 H LYS 54 H LYS 54 9.604 4.016 6.651 402 HA LYS 54 HA LYS 54 12.047 3.222 8.082 403 1HB LYS 54 HB2 LYS 54 11.461 5.719 6.434 404 2HB LYS 54 HB3 LYS 54 13.048 5.197 7.024 405 1HG LYS 54 HG2 LYS 54 12.811 3.093 5.662 406 2HG LYS 54 HG3 LYS 54 11.282 3.700 5.026 407 1HD LYS 54 HD2 LYS 54 13.029 4.072 3.412 408 2HD LYS 54 HD3 LYS 54 12.452 5.635 4.015 409 1HE LYS 54 HE2 LYS 54 14.395 5.812 5.513 410 2HE LYS 54 HE3 LYS 54 14.924 4.181 5.061 411 1HZ LYS 54 HZ1 LYS 54 16.164 5.871 3.865 412 2HZ LYS 54 HZ2 LYS 54 15.290 4.999 2.803 413 3HZ LYS 54 HZ3 LYS 54 14.809 6.505 3.217 414 H ILE 55 H ILE 55 12.839 4.198 9.974 415 HA ILE 55 HA ILE 55 11.500 6.626 10.959 416 HB ILE 55 HB ILE 55 10.156 4.963 11.961 417 1HG1 ILE 55 HG12 ILE 55 12.092 5.871 14.125 418 2HG1 ILE 55 HG13 ILE 55 10.991 6.967 13.290 419 1HG2 ILE 55 HG21 ILE 55 11.616 2.966 11.806 420 2HG2 ILE 55 HG22 ILE 55 12.629 3.613 13.116 421 3HG2 ILE 55 HG23 ILE 55 10.945 3.163 13.422 422 1HD1 ILE 55 HD11 ILE 55 10.144 4.578 14.973 423 2HD1 ILE 55 HD12 ILE 55 10.013 6.288 15.407 424 3HD1 ILE 55 HD13 ILE 55 9.047 5.651 14.068 425 H ASP 56 H ASP 56 12.880 8.024 11.744 426 HA ASP 56 HA ASP 56 15.723 7.477 11.422 427 1HB ASP 56 HB2 ASP 56 14.785 9.491 10.478 428 2HB ASP 56 HB3 ASP 56 14.173 10.001 12.052 429 H VAL 57 H VAL 57 16.663 6.432 13.169 430 HA VAL 57 HA VAL 57 15.584 6.491 15.780 431 HB VAL 57 HB VAL 57 17.588 5.337 16.499 432 1HG1 VAL 57 HG11 VAL 57 15.793 4.182 15.198 433 2HG1 VAL 57 HG12 VAL 57 16.784 4.330 13.739 434 3HG1 VAL 57 HG13 VAL 57 17.377 3.382 15.120 435 1HG2 VAL 57 HG21 VAL 57 19.360 6.555 15.268 436 2HG2 VAL 57 HG22 VAL 57 19.458 4.812 15.007 437 3HG2 VAL 57 HG23 VAL 57 18.782 5.854 13.743 438 H ASP 58 H ASP 58 17.765 8.804 14.239 439 HA ASP 58 HA ASP 58 18.977 9.765 16.675 440 1HB ASP 58 HB2 ASP 58 19.942 10.102 14.412 441 2HB ASP 58 HB3 ASP 58 18.594 11.174 14.011 442 H GLU 59 H GLU 59 15.855 10.201 15.254 443 HA GLU 59 HA GLU 59 15.205 12.479 17.081 444 1HB GLU 59 HB2 GLU 59 14.135 11.611 14.366 445 2HB GLU 59 HB3 GLU 59 13.267 12.752 15.384 446 1HG GLU 59 HG2 GLU 59 16.130 13.212 14.447 447 2HG GLU 59 HG3 GLU 59 14.704 13.773 13.585 448 H ASN 60 H ASN 60 15.046 9.183 17.029 449 HA ASN 60 HA ASN 60 12.388 9.041 18.355 450 1HB ASN 60 HB2 ASN 60 13.202 7.355 15.952 451 2HB ASN 60 HB3 ASN 60 11.810 7.051 16.981 452 1HD2 ASN 60 HD22 ASN 60 13.032 9.045 14.397 453 2HD2 ASN 60 HD21 ASN 60 11.555 9.955 14.132 454 H GLN 61 H GLN 61 14.841 9.087 19.581 455 HA GLN 61 HA GLN 61 16.097 6.617 20.071 456 1HB GLN 61 HB2 GLN 61 15.662 9.057 21.842 457 2HB GLN 61 HB3 GLN 61 16.687 7.702 22.309 458 1HG GLN 61 HG2 GLN 61 17.129 9.329 19.768 459 2HG GLN 61 HG3 GLN 61 17.907 9.672 21.309 460 1HE2 GLN 61 HE22 GLN 61 17.941 7.621 18.488 461 2HE2 GLN 61 HE21 GLN 61 19.328 6.644 18.954 462 H GLU 62 H GLU 62 13.040 7.928 21.391 463 HA GLU 62 HA GLU 62 12.773 6.028 23.490 464 1HB GLU 62 HB2 GLU 62 10.659 7.569 21.916 465 2HB GLU 62 HB3 GLU 62 10.341 6.663 23.395 466 1HG GLU 62 HG2 GLU 62 12.192 9.076 23.148 467 2HG GLU 62 HG3 GLU 62 10.563 9.085 23.807 468 H THR 63 H THR 63 11.496 5.982 20.072 469 HA THR 63 HA THR 63 10.202 3.480 20.394 470 HB THR 63 HB THR 63 11.254 4.354 17.761 471 HG1 THR 63 HG1 THR 63 9.256 5.815 19.153 472 1HG2 THR 63 HG21 THR 63 9.652 2.510 17.835 473 2HG2 THR 63 HG22 THR 63 8.454 3.553 18.629 474 3HG2 THR 63 HG23 THR 63 8.979 3.886 16.960 475 H ALA 64 H ALA 64 13.467 4.424 19.195 476 HA ALA 64 HA ALA 64 14.378 1.815 18.525 477 1HB ALA 64 HB1 ALA 64 15.903 4.231 19.633 478 2HB ALA 64 HB2 ALA 64 16.657 2.825 18.879 479 3HB ALA 64 HB3 ALA 64 15.602 3.878 17.919 480 H GLY 65 H GLY 65 14.545 3.592 21.658 481 1HA GLY 65 HA2 GLY 65 15.770 1.566 23.191 482 2HA GLY 65 HA3 GLY 65 14.716 2.860 23.793 483 H LYS 66 H LYS 66 12.387 1.948 22.153 484 HA LYS 66 HA LYS 66 11.088 0.319 23.994 485 1HB LYS 66 HB2 LYS 66 10.159 1.817 22.045 486 2HB LYS 66 HB3 LYS 66 10.410 0.414 21.032 487 1HG LYS 66 HG2 LYS 66 8.118 0.478 21.675 488 2HG LYS 66 HG3 LYS 66 8.866 -0.920 22.450 489 1HD LYS 66 HD2 LYS 66 8.974 0.324 24.607 490 2HD LYS 66 HD3 LYS 66 8.371 1.775 23.800 491 1HE LYS 66 HE2 LYS 66 6.537 0.801 24.980 492 2HE LYS 66 HE3 LYS 66 6.248 0.575 23.255 493 1HZ LYS 66 HZ1 LYS 66 7.284 -1.503 25.104 494 2HZ LYS 66 HZ2 LYS 66 5.765 -1.420 24.532 495 3HZ LYS 66 HZ3 LYS 66 6.992 -1.729 23.509 496 H TYR 67 H TYR 67 13.100 -0.637 21.229 497 HA TYR 67 HA TYR 67 12.664 -3.500 21.990 498 1HB TYR 67 HB2 TYR 67 13.565 -2.716 19.252 499 2HB TYR 67 HB3 TYR 67 12.670 -4.133 19.768 500 HD1 TYR 67 HD1 TYR 67 10.170 -3.722 20.536 501 HD2 TYR 67 HD2 TYR 67 12.516 -0.831 18.355 502 HE1 TYR 67 HE1 TYR 67 8.104 -2.472 19.962 503 HE2 TYR 67 HE2 TYR 67 10.509 0.438 17.839 504 HH TYR 67 HH TYR 67 8.158 0.573 18.062 505 H GLY 68 H GLY 68 14.814 -1.244 22.668 506 1HA GLY 68 HA2 GLY 68 17.038 -1.196 23.138 507 2HA GLY 68 HA3 GLY 68 17.046 -2.962 23.001 508 H VAL 69 H VAL 69 16.185 -0.714 20.339 509 HA VAL 69 HA VAL 69 18.195 -1.824 18.556 510 HB VAL 69 HB VAL 69 16.481 0.686 18.302 511 1HG1 VAL 69 HG11 VAL 69 18.370 0.784 16.766 512 2HG1 VAL 69 HG12 VAL 69 18.056 -0.875 16.220 513 3HG1 VAL 69 HG13 VAL 69 16.900 0.426 15.861 514 1HG2 VAL 69 HG21 VAL 69 15.035 -0.705 16.808 515 2HG2 VAL 69 HG22 VAL 69 15.945 -2.143 17.326 516 3HG2 VAL 69 HG23 VAL 69 14.998 -1.199 18.494 517 H MET 70 H MET 70 20.302 -1.274 18.622 518 HA MET 70 HA MET 70 21.154 1.413 19.599 519 1HB MET 70 HB2 MET 70 22.260 -1.311 20.393 520 2HB MET 70 HB3 MET 70 23.067 0.226 20.727 521 1HG MET 70 HG2 MET 70 21.116 0.987 22.048 522 2HG MET 70 HG3 MET 70 20.316 -0.551 21.743 523 1HE MET 70 HE1 MET 70 24.136 0.257 22.783 524 2HE MET 70 HE2 MET 70 23.082 1.360 23.699 525 3HE MET 70 HE3 MET 70 23.963 0.067 24.538 526 H SER 71 H SER 71 21.012 -0.478 16.959 527 HA SER 71 HA SER 71 23.389 0.635 15.718 528 1HB SER 71 HB2 SER 71 22.693 -2.341 15.571 529 2HB SER 71 HB3 SER 71 24.017 -1.530 14.720 530 HG SER 71 HG SER 71 24.719 -2.627 16.608 531 H ILE 72 H ILE 72 23.104 0.463 13.288 532 HA ILE 72 HA ILE 72 20.416 -0.186 12.372 533 HB ILE 72 HB ILE 72 20.212 1.947 11.137 534 1HG1 ILE 72 HG12 ILE 72 22.387 3.037 12.980 535 2HG1 ILE 72 HG13 ILE 72 22.620 2.662 11.271 536 1HG2 ILE 72 HG21 ILE 72 19.023 1.456 13.309 537 2HG2 ILE 72 HG22 ILE 72 20.255 2.424 14.139 538 3HG2 ILE 72 HG23 ILE 72 19.190 3.168 12.930 539 1HD1 ILE 72 HD11 ILE 72 20.853 4.289 10.670 540 2HD1 ILE 72 HD12 ILE 72 20.711 4.762 12.378 541 3HD1 ILE 72 HD13 ILE 72 22.227 5.038 11.504 542 HA PRO 73 HA PRO 73 19.462 0.258 9.994 543 1HB PRO 73 HB2 PRO 73 18.926 -1.691 8.154 544 2HB PRO 73 HB3 PRO 73 19.602 -0.095 7.723 545 1HG PRO 73 HG2 PRO 73 21.084 -2.708 8.119 546 2HG PRO 73 HG3 PRO 73 21.270 -1.521 6.792 547 1HD PRO 73 HD2 PRO 73 22.957 -1.573 8.942 548 2HD PRO 73 HD3 PRO 73 22.476 -0.038 8.162 549 H THR 74 H THR 74 17.865 -0.700 11.166 550 HA THR 74 HA THR 74 18.147 -3.571 11.913 551 HB THR 74 HB THR 74 17.586 -1.237 13.780 552 HG1 THR 74 HG1 THR 74 19.572 -1.596 14.274 553 1HG2 THR 74 HG21 THR 74 17.362 -3.063 15.542 554 2HG2 THR 74 HG22 THR 74 15.998 -2.924 14.427 555 3HG2 THR 74 HG23 THR 74 17.180 -4.229 14.217 556 H LEU 75 H LEU 75 16.193 -4.673 11.937 557 HA LEU 75 HA LEU 75 13.995 -3.231 10.548 558 1HB LEU 75 HB2 LEU 75 15.014 -6.050 10.104 559 2HB LEU 75 HB3 LEU 75 13.645 -5.313 9.291 560 HG LEU 75 HG LEU 75 16.566 -4.459 9.039 561 1HD1 LEU 75 HD11 LEU 75 16.400 -5.344 6.758 562 2HD1 LEU 75 HD12 LEU 75 16.038 -6.606 7.942 563 3HD1 LEU 75 HD13 LEU 75 14.715 -5.830 7.047 564 1HD2 LEU 75 HD21 LEU 75 14.115 -3.323 7.635 565 2HD2 LEU 75 HD22 LEU 75 15.227 -2.479 8.728 566 3HD2 LEU 75 HD23 LEU 75 15.798 -3.022 7.152 567 H LEU 76 H LEU 76 12.068 -3.410 11.580 568 HA LEU 76 HA LEU 76 11.740 -5.534 13.701 569 1HB LEU 76 HB2 LEU 76 10.922 -2.604 13.644 570 2HB LEU 76 HB3 LEU 76 9.970 -3.774 14.527 571 HG LEU 76 HG LEU 76 11.547 -2.450 15.935 572 1HD1 LEU 76 HD11 LEU 76 10.666 -4.577 16.729 573 2HD1 LEU 76 HD12 LEU 76 11.951 -5.472 15.898 574 3HD1 LEU 76 HD13 LEU 76 12.346 -4.397 17.252 575 1HD2 LEU 76 HD21 LEU 76 13.759 -4.110 14.676 576 2HD2 LEU 76 HD22 LEU 76 13.453 -2.404 14.315 577 3HD2 LEU 76 HD23 LEU 76 13.900 -2.896 15.960 578 H VAL 77 H VAL 77 10.157 -6.919 13.129 579 HA VAL 77 HA VAL 77 8.379 -6.098 10.871 580 HB VAL 77 HB VAL 77 8.597 -8.900 11.960 581 1HG1 VAL 77 HG11 VAL 77 7.772 -9.465 9.692 582 2HG1 VAL 77 HG12 VAL 77 6.679 -8.341 10.512 583 3HG1 VAL 77 HG13 VAL 77 7.781 -7.746 9.254 584 1HG2 VAL 77 HG21 VAL 77 10.907 -8.408 11.281 585 2HG2 VAL 77 HG22 VAL 77 10.139 -9.481 10.115 586 3HG2 VAL 77 HG23 VAL 77 10.334 -7.759 9.730 587 H LEU 78 H LEU 78 6.323 -5.628 11.476 588 HA LEU 78 HA LEU 78 5.412 -6.418 14.188 589 1HB LEU 78 HB2 LEU 78 4.853 -3.775 12.758 590 2HB LEU 78 HB3 LEU 78 4.068 -4.342 14.222 591 HG LEU 78 HG LEU 78 6.635 -4.539 15.062 592 1HD1 LEU 78 HD11 LEU 78 7.646 -3.687 13.000 593 2HD1 LEU 78 HD12 LEU 78 6.696 -2.205 13.115 594 3HD1 LEU 78 HD13 LEU 78 7.924 -2.572 14.341 595 1HD2 LEU 78 HD21 LEU 78 6.354 -2.438 16.234 596 2HD2 LEU 78 HD22 LEU 78 5.070 -1.939 15.116 597 3HD2 LEU 78 HD23 LEU 78 4.821 -3.313 16.206 598 H LYS 79 H LYS 79 3.151 -6.812 14.304 599 HA LYS 79 HA LYS 79 1.726 -7.075 11.713 600 1HB LYS 79 HB2 LYS 79 2.774 -9.273 12.323 601 2HB LYS 79 HB3 LYS 79 1.827 -9.282 13.820 602 1HG LYS 79 HG2 LYS 79 -0.258 -9.197 12.419 603 2HG LYS 79 HG3 LYS 79 0.761 -9.224 10.961 604 1HD LYS 79 HD2 LYS 79 1.722 -11.410 11.733 605 2HD LYS 79 HD3 LYS 79 0.585 -11.420 13.080 606 1HE LYS 79 HE2 LYS 79 -0.177 -11.353 10.118 607 2HE LYS 79 HE3 LYS 79 -0.094 -12.815 11.096 608 1HZ LYS 79 HZ1 LYS 79 -1.850 -11.907 12.510 609 2HZ LYS 79 HZ2 LYS 79 -1.962 -10.564 11.578 610 3HZ LYS 79 HZ3 LYS 79 -2.346 -12.021 10.965 611 H ASP 80 H ASP 80 -0.002 -5.852 11.952 612 HA ASP 80 HA ASP 80 -1.722 -4.703 12.817 613 1HB ASP 80 HB2 ASP 80 -2.624 -6.988 12.743 614 2HB ASP 80 HB3 ASP 80 -2.151 -7.238 14.425 615 H GLY 81 H GLY 81 0.678 -3.978 13.986 616 1HA GLY 81 HA2 GLY 81 0.898 -2.136 15.360 617 2HA GLY 81 HA3 GLY 81 -0.395 -2.705 16.408 618 H GLU 82 H GLU 82 1.559 -5.429 16.202 619 HA GLU 82 HA GLU 82 3.367 -4.492 18.373 620 1HB GLU 82 HB2 GLU 82 2.814 -6.383 19.664 621 2HB GLU 82 HB3 GLU 82 1.294 -5.636 19.141 622 1HG GLU 82 HG2 GLU 82 1.018 -7.373 17.408 623 2HG GLU 82 HG3 GLU 82 2.530 -8.135 17.912 624 H VAL 83 H VAL 83 5.364 -5.681 18.584 625 HA VAL 83 HA VAL 83 6.552 -6.364 16.068 626 HB VAL 83 HB VAL 83 7.584 -6.891 18.878 627 1HG1 VAL 83 HG11 VAL 83 8.836 -8.165 17.166 628 2HG1 VAL 83 HG12 VAL 83 9.037 -6.694 16.190 629 3HG1 VAL 83 HG13 VAL 83 9.820 -6.839 17.778 630 1HG2 VAL 83 HG21 VAL 83 8.866 -4.796 18.557 631 2HG2 VAL 83 HG22 VAL 83 8.015 -4.492 17.032 632 3HG2 VAL 83 HG23 VAL 83 7.132 -4.478 18.576 633 H VAL 84 H VAL 84 6.705 -8.155 15.036 634 HA VAL 84 HA VAL 84 5.955 -10.707 16.342 635 HB VAL 84 HB VAL 84 4.335 -9.674 14.673 636 1HG1 VAL 84 HG11 VAL 84 5.801 -8.875 12.941 637 2HG1 VAL 84 HG12 VAL 84 6.465 -10.497 12.664 638 3HG1 VAL 84 HG13 VAL 84 4.785 -10.147 12.262 639 1HG2 VAL 84 HG21 VAL 84 5.333 -12.490 14.206 640 2HG2 VAL 84 HG22 VAL 84 4.130 -11.955 15.392 641 3HG2 VAL 84 HG23 VAL 84 3.766 -11.830 13.665 642 H GLU 85 H GLU 85 8.501 -8.936 14.560 643 HA GLU 85 HA GLU 85 10.281 -11.140 15.187 644 1HB GLU 85 HB2 GLU 85 9.210 -10.927 12.463 645 2HB GLU 85 HB3 GLU 85 10.940 -10.691 12.449 646 1HG GLU 85 HG2 GLU 85 9.561 -13.100 13.707 647 2HG GLU 85 HG3 GLU 85 10.169 -13.026 12.062 648 H THR 86 H THR 86 12.611 -10.526 14.525 649 HA THR 86 HA THR 86 13.030 -7.659 13.983 650 HB THR 86 HB THR 86 14.273 -9.075 16.368 651 HG1 THR 86 HG1 THR 86 11.870 -7.915 16.111 652 1HG2 THR 86 HG21 THR 86 14.891 -6.747 17.083 653 2HG2 THR 86 HG22 THR 86 15.696 -7.268 15.598 654 3HG2 THR 86 HG23 THR 86 14.318 -6.155 15.507 655 H SER 87 H SER 87 14.972 -7.308 12.905 656 HA SER 87 HA SER 87 17.007 -9.432 12.706 657 1HB SER 87 HB2 SER 87 15.652 -8.162 10.280 658 2HB SER 87 HB3 SER 87 17.052 -9.242 10.246 659 HG SER 87 HG SER 87 15.144 -10.383 9.831 660 H VAL 88 H VAL 88 19.077 -8.506 11.897 661 HA VAL 88 HA VAL 88 19.242 -5.541 12.104 662 HB VAL 88 HB VAL 88 21.021 -7.544 13.536 663 1HG1 VAL 88 HG11 VAL 88 20.932 -4.497 13.652 664 2HG1 VAL 88 HG12 VAL 88 21.917 -5.531 14.706 665 3HG1 VAL 88 HG13 VAL 88 22.239 -5.492 12.974 666 1HG2 VAL 88 HG21 VAL 88 18.870 -5.727 14.708 667 2HG2 VAL 88 HG22 VAL 88 18.842 -7.503 14.693 668 3HG2 VAL 88 HG23 VAL 88 20.050 -6.655 15.652 669 H GLY 89 H GLY 89 20.861 -4.634 10.777 670 1HA GLY 89 HA2 GLY 89 22.579 -4.551 9.254 671 2HA GLY 89 HA3 GLY 89 22.878 -6.276 9.480 672 H PHE 90 H PHE 90 23.211 -5.897 7.058 673 HA PHE 90 HA PHE 90 21.021 -5.401 5.314 674 1HB PHE 90 HB2 PHE 90 23.401 -5.129 4.719 675 2HB PHE 90 HB3 PHE 90 23.651 -6.864 4.849 676 HD1 PHE 90 HD1 PHE 90 22.192 -4.150 2.809 677 HD2 PHE 90 HD2 PHE 90 22.838 -8.406 3.097 678 HE1 PHE 90 HE1 PHE 90 21.518 -4.418 0.433 679 HE2 PHE 90 HE2 PHE 90 22.158 -8.666 0.726 680 HZ PHE 90 HZ PHE 90 21.490 -6.676 -0.607 681 H LYS 91 H LYS 91 19.787 -6.841 4.021 682 HA LYS 91 HA LYS 91 20.213 -9.692 4.154 683 1HB LYS 91 HB2 LYS 91 17.635 -8.442 5.215 684 2HB LYS 91 HB3 LYS 91 17.597 -9.960 4.332 685 1HG LYS 91 HG2 LYS 91 17.868 -10.933 6.319 686 2HG LYS 91 HG3 LYS 91 19.570 -10.606 6.051 687 1HD LYS 91 HD2 LYS 91 19.051 -8.330 7.345 688 2HD LYS 91 HD3 LYS 91 17.570 -9.165 7.816 689 1HE LYS 91 HE2 LYS 91 18.985 -9.792 9.572 690 2HE LYS 91 HE3 LYS 91 19.181 -11.149 8.460 691 1HZ LYS 91 HZ1 LYS 91 21.154 -9.654 7.607 692 2HZ LYS 91 HZ2 LYS 91 21.030 -8.980 9.101 693 3HZ LYS 91 HZ3 LYS 91 21.344 -10.576 8.965 694 HA PRO 92 HA PRO 92 19.073 -8.676 -0.066 695 1HB PRO 92 HB2 PRO 92 18.862 -11.171 -1.173 696 2HB PRO 92 HB3 PRO 92 20.430 -10.460 -0.688 697 1HG PRO 92 HG2 PRO 92 18.697 -12.391 0.886 698 2HG PRO 92 HG3 PRO 92 20.457 -12.499 0.558 699 1HD PRO 92 HD2 PRO 92 19.477 -11.469 2.891 700 2HD PRO 92 HD3 PRO 92 20.947 -10.805 2.121 701 H LYS 93 H LYS 93 17.220 -8.910 -1.536 702 HA LYS 93 HA LYS 93 14.740 -8.707 -0.241 703 1HB LYS 93 HB2 LYS 93 13.739 -8.748 -2.493 704 2HB LYS 93 HB3 LYS 93 15.078 -7.625 -2.332 705 1HG LYS 93 HG2 LYS 93 16.567 -9.411 -3.430 706 2HG LYS 93 HG3 LYS 93 15.076 -10.321 -3.749 707 1HD LYS 93 HD2 LYS 93 14.181 -8.323 -4.971 708 2HD LYS 93 HD3 LYS 93 15.734 -7.489 -4.673 709 1HE LYS 93 HE2 LYS 93 16.945 -9.167 -5.955 710 2HE LYS 93 HE3 LYS 93 15.515 -10.201 -6.071 711 1HZ LYS 93 HZ1 LYS 93 15.705 -7.512 -7.311 712 2HZ LYS 93 HZ2 LYS 93 15.964 -8.924 -8.108 713 3HZ LYS 93 HZ3 LYS 93 14.487 -8.593 -7.504 714 H GLU 94 H GLU 94 16.221 -11.611 -1.602 715 HA GLU 94 HA GLU 94 13.858 -13.215 -1.531 716 1HB GLU 94 HB2 GLU 94 16.800 -13.983 -1.274 717 2HB GLU 94 HB3 GLU 94 15.469 -15.138 -1.453 718 1HG GLU 94 HG2 GLU 94 14.844 -14.070 -3.618 719 2HG GLU 94 HG3 GLU 94 16.215 -12.970 -3.467 720 H ALA 95 H ALA 95 16.485 -12.726 0.910 721 HA ALA 95 HA ALA 95 15.305 -14.396 2.890 722 1HB ALA 95 HB1 ALA 95 16.865 -13.266 4.439 723 2HB ALA 95 HB2 ALA 95 17.685 -13.742 2.940 724 3HB ALA 95 HB3 ALA 95 17.217 -12.043 3.203 725 H LEU 96 H LEU 96 15.043 -10.904 2.190 726 HA LEU 96 HA LEU 96 13.404 -10.233 4.406 727 1HB LEU 96 HB2 LEU 96 13.600 -9.045 1.627 728 2HB LEU 96 HB3 LEU 96 12.661 -8.328 2.929 729 HG LEU 96 HG LEU 96 15.667 -8.798 3.126 730 1HD1 LEU 96 HD11 LEU 96 14.182 -6.227 2.450 731 2HD1 LEU 96 HD12 LEU 96 15.933 -6.403 2.702 732 3HD1 LEU 96 HD13 LEU 96 15.165 -7.192 1.329 733 1HD2 LEU 96 HD21 LEU 96 15.518 -7.168 4.988 734 2HD2 LEU 96 HD22 LEU 96 13.749 -7.156 4.832 735 3HD2 LEU 96 HD23 LEU 96 14.605 -8.639 5.323 736 H GLN 97 H GLN 97 12.491 -11.331 1.103 737 HA GLN 97 HA GLN 97 9.682 -11.173 1.570 738 1HB GLN 97 HB2 GLN 97 11.431 -12.797 -0.321 739 2HB GLN 97 HB3 GLN 97 9.704 -13.147 -0.211 740 1HG GLN 97 HG2 GLN 97 9.071 -10.979 -0.889 741 2HG GLN 97 HG3 GLN 97 10.719 -10.347 -0.726 742 1HE2 GLN 97 HE22 GLN 97 12.361 -11.057 -2.190 743 2HE2 GLN 97 HE21 GLN 97 11.944 -11.608 -3.813 744 H GLU 98 H GLU 98 12.056 -13.773 2.187 745 HA GLU 98 HA GLU 98 10.100 -15.674 3.029 746 1HB GLU 98 HB2 GLU 98 13.072 -15.425 3.618 747 2HB GLU 98 HB3 GLU 98 12.078 -16.718 4.298 748 1HG GLU 98 HG2 GLU 98 11.391 -17.413 2.021 749 2HG GLU 98 HG3 GLU 98 12.426 -16.175 1.319 750 H LEU 99 H LEU 99 11.910 -13.183 4.845 751 HA LEU 99 HA LEU 99 10.964 -13.812 7.423 752 1HB LEU 99 HB2 LEU 99 12.900 -12.416 6.971 753 2HB LEU 99 HB3 LEU 99 11.923 -11.261 6.074 754 HG LEU 99 HG LEU 99 10.700 -10.655 8.105 755 1HD1 LEU 99 HD11 LEU 99 10.870 -12.667 9.452 756 2HD1 LEU 99 HD12 LEU 99 12.648 -12.589 9.443 757 3HD1 LEU 99 HD13 LEU 99 11.699 -11.375 10.326 758 1HD2 LEU 99 HD21 LEU 99 12.623 -9.432 9.149 759 2HD2 LEU 99 HD22 LEU 99 13.734 -10.459 8.209 760 3HD2 LEU 99 HD23 LEU 99 12.621 -9.359 7.379 761 H VAL 100 H VAL 100 9.648 -11.531 4.918 762 HA VAL 100 HA VAL 100 7.357 -10.715 6.374 763 HB VAL 100 HB VAL 100 7.872 -11.058 3.393 764 1HG1 VAL 100 HG11 VAL 100 5.574 -9.583 4.732 765 2HG1 VAL 100 HG12 VAL 100 6.020 -9.443 3.014 766 3HG1 VAL 100 HG13 VAL 100 5.461 -10.989 3.655 767 1HG2 VAL 100 HG21 VAL 100 8.475 -8.813 3.295 768 2HG2 VAL 100 HG22 VAL 100 7.794 -8.433 4.908 769 3HG2 VAL 100 HG23 VAL 100 9.286 -9.357 4.754 770 H ASN 101 H ASN 101 7.928 -13.502 4.244 771 HA ASN 101 HA ASN 101 5.292 -14.450 4.105 772 1HB ASN 101 HB2 ASN 101 7.313 -15.016 2.652 773 2HB ASN 101 HB3 ASN 101 7.765 -16.195 3.890 774 1HD2 ASN 101 HD22 ASN 101 5.750 -15.476 1.175 775 2HD2 ASN 101 HD21 ASN 101 4.831 -16.960 1.164 776 H LYS 102 H LYS 102 7.673 -14.887 6.687 777 HA LYS 102 HA LYS 102 6.496 -17.084 8.052 778 1HB LYS 102 HB2 LYS 102 7.819 -14.608 9.237 779 2HB LYS 102 HB3 LYS 102 7.451 -16.084 10.117 780 1HG LYS 102 HG2 LYS 102 9.011 -17.347 8.628 781 2HG LYS 102 HG3 LYS 102 9.399 -15.832 7.806 782 1HD LYS 102 HD2 LYS 102 11.152 -16.305 9.346 783 2HD LYS 102 HD3 LYS 102 10.274 -14.879 9.914 784 1HE LYS 102 HE2 LYS 102 9.131 -16.173 11.626 785 2HE LYS 102 HE3 LYS 102 9.742 -17.691 10.954 786 1HZ LYS 102 HZ1 LYS 102 11.435 -15.599 12.240 787 2HZ LYS 102 HZ2 LYS 102 11.008 -17.037 12.883 788 3HZ LYS 102 HZ3 LYS 102 11.980 -16.999 11.581 789 H HIS 103 H HIS 103 5.243 -13.827 7.619 790 HA HIS 103 HA HIS 103 3.297 -14.245 9.846 791 1HB HIS 103 HB2 HIS 103 4.440 -11.646 8.777 792 2HB HIS 103 HB3 HIS 103 3.445 -11.859 10.216 793 HD1 HIS 103 HD1 HIS 103 4.805 -13.766 12.054 794 HD2 HIS 103 HD2 HIS 103 6.979 -11.551 9.215 795 HE1 HIS 103 HE1 HIS 103 7.235 -13.802 12.818 796 H LEU 104 H LEU 104 3.445 -13.999 6.453 797 HA LEU 104 HA LEU 104 1.016 -12.580 5.927 798 1HB LEU 104 HB2 LEU 104 2.367 -14.840 4.390 799 2HB LEU 104 HB3 LEU 104 0.984 -13.922 3.810 800 HG LEU 104 HG LEU 104 3.757 -12.794 4.363 801 1HD1 LEU 104 HD11 LEU 104 3.563 -14.210 2.334 802 2HD1 LEU 104 HD12 LEU 104 2.236 -13.185 1.753 803 3HD1 LEU 104 HD13 LEU 104 3.868 -12.513 1.941 804 1HD2 LEU 104 HD21 LEU 104 1.235 -11.407 3.380 805 2HD2 LEU 104 HD22 LEU 104 2.164 -11.032 4.849 806 3HD2 LEU 104 HD23 LEU 104 2.870 -10.713 3.267 Start of MODEL 9 1 1H MET 1 H1 MET 1 5.940 3.658 -2.757 2 2H MET 1 H2 MET 1 6.159 2.099 -3.221 3 3H MET 1 H3 MET 1 5.550 3.202 -4.279 4 HA MET 1 HA MET 1 3.581 3.488 -2.953 5 1HB MET 1 HB2 MET 1 4.148 0.624 -3.798 6 2HB MET 1 HB3 MET 1 2.583 1.182 -3.204 7 1HG MET 1 HG2 MET 1 2.484 2.861 -5.018 8 2HG MET 1 HG3 MET 1 4.026 2.267 -5.649 9 1HE MET 1 HE1 MET 1 1.394 2.593 -7.402 10 2HE MET 1 HE2 MET 1 2.945 2.000 -8.042 11 3HE MET 1 HE3 MET 1 1.449 1.093 -8.354 12 H ALA 2 H ALA 2 5.085 0.418 -1.639 13 HA ALA 2 HA ALA 2 3.515 0.601 0.659 14 1HB ALA 2 HB1 ALA 2 4.489 -1.516 -0.235 15 2HB ALA 2 HB2 ALA 2 6.112 -0.915 0.229 16 3HB ALA 2 HB3 ALA 2 4.914 -1.301 1.472 17 H ILE 3 H ILE 3 6.350 2.059 0.113 18 HA ILE 3 HA ILE 3 7.376 2.008 2.819 19 HB ILE 3 HB ILE 3 8.242 3.477 0.335 20 1HG1 ILE 3 HG12 ILE 3 9.753 1.132 1.505 21 2HG1 ILE 3 HG13 ILE 3 8.255 0.775 0.647 22 1HG2 ILE 3 HG21 ILE 3 9.212 4.648 2.265 23 2HG2 ILE 3 HG22 ILE 3 9.727 3.110 2.991 24 3HG2 ILE 3 HG23 ILE 3 10.484 3.696 1.492 25 1HD1 ILE 3 HD11 ILE 3 10.159 0.663 -0.861 26 2HD1 ILE 3 HD12 ILE 3 9.005 1.938 -1.325 27 3HD1 ILE 3 HD13 ILE 3 10.552 2.367 -0.538 28 H VAL 4 H VAL 4 7.274 3.459 4.374 29 HA VAL 4 HA VAL 4 5.878 6.051 4.015 30 HB VAL 4 HB VAL 4 5.432 4.109 6.313 31 1HG1 VAL 4 HG11 VAL 4 4.749 6.400 6.821 32 2HG1 VAL 4 HG12 VAL 4 3.802 6.483 5.313 33 3HG1 VAL 4 HG13 VAL 4 3.322 5.399 6.631 34 1HG2 VAL 4 HG21 VAL 4 3.715 4.278 3.803 35 2HG2 VAL 4 HG22 VAL 4 4.579 2.857 4.428 36 3HG2 VAL 4 HG23 VAL 4 3.211 3.497 5.319 37 H LYS 5 H LYS 5 6.362 7.473 5.921 38 HA LYS 5 HA LYS 5 8.913 6.922 7.374 39 1HB LYS 5 HB2 LYS 5 8.760 8.655 5.226 40 2HB LYS 5 HB3 LYS 5 8.398 9.710 6.577 41 1HG LYS 5 HG2 LYS 5 10.854 7.923 6.214 42 2HG LYS 5 HG3 LYS 5 10.795 9.665 5.995 43 1HD LYS 5 HD2 LYS 5 10.699 8.109 8.596 44 2HD LYS 5 HD3 LYS 5 11.871 9.325 8.067 45 1HE LYS 5 HE2 LYS 5 10.020 11.028 8.059 46 2HE LYS 5 HE3 LYS 5 8.945 9.762 8.680 47 1HZ LYS 5 HZ1 LYS 5 10.215 9.703 10.710 48 2HZ LYS 5 HZ2 LYS 5 11.369 10.730 10.108 49 3HZ LYS 5 HZ3 LYS 5 9.867 11.271 10.408 50 H ALA 6 H ALA 6 8.704 7.293 9.473 51 HA ALA 6 HA ALA 6 6.230 8.609 10.505 52 1HB ALA 6 HB1 ALA 6 5.768 6.181 10.160 53 2HB ALA 6 HB2 ALA 6 7.163 5.781 11.190 54 3HB ALA 6 HB3 ALA 6 5.751 6.610 11.876 55 H THR 7 H THR 7 6.270 8.447 12.980 56 HA THR 7 HA THR 7 8.882 8.478 14.259 57 HB THR 7 HB THR 7 8.070 10.477 15.647 58 HG1 THR 7 HG1 THR 7 6.413 10.819 13.368 59 1HG2 THR 7 HG21 THR 7 8.885 12.214 14.108 60 2HG2 THR 7 HG22 THR 7 9.928 10.788 14.109 61 3HG2 THR 7 HG23 THR 7 8.805 11.065 12.754 62 H ASP 8 H ASP 8 8.397 8.377 16.734 63 HA ASP 8 HA ASP 8 6.669 6.348 17.444 64 1HB ASP 8 HB2 ASP 8 8.422 7.368 18.913 65 2HB ASP 8 HB3 ASP 8 7.366 8.748 19.164 66 H GLN 9 H GLN 9 5.812 9.691 16.926 67 HA GLN 9 HA GLN 9 3.358 9.961 18.240 68 1HB GLN 9 HB2 GLN 9 4.172 11.088 15.529 69 2HB GLN 9 HB3 GLN 9 2.904 11.722 16.577 70 1HG GLN 9 HG2 GLN 9 4.580 12.303 18.300 71 2HG GLN 9 HG3 GLN 9 5.876 11.659 17.283 72 1HE2 GLN 9 HE22 GLN 9 6.041 12.629 15.004 73 2HE2 GLN 9 HE21 GLN 9 5.782 14.360 14.879 74 H SER 10 H SER 10 4.097 8.264 15.226 75 HA SER 10 HA SER 10 1.225 7.504 14.897 76 1HB SER 10 HB2 SER 10 3.066 8.441 12.664 77 2HB SER 10 HB3 SER 10 1.350 8.026 12.536 78 HG SER 10 HG SER 10 1.692 10.288 12.650 79 H PHE 11 H PHE 11 4.493 6.442 14.983 80 HA PHE 11 HA PHE 11 4.649 4.435 13.102 81 1HB PHE 11 HB2 PHE 11 6.473 5.200 14.571 82 2HB PHE 11 HB3 PHE 11 5.692 4.470 15.967 83 HD1 PHE 11 HD1 PHE 11 7.467 3.822 12.774 84 HD2 PHE 11 HD2 PHE 11 5.879 2.061 16.381 85 HE1 PHE 11 HE1 PHE 11 8.755 1.764 12.333 86 HE2 PHE 11 HE2 PHE 11 7.149 -0.016 15.912 87 HZ PHE 11 HZ PHE 11 8.601 -0.171 13.915 88 H SER 12 H SER 12 3.138 4.183 16.379 89 HA SER 12 HA SER 12 2.528 1.456 16.229 90 1HB SER 12 HB2 SER 12 0.912 3.586 17.670 91 2HB SER 12 HB3 SER 12 1.097 1.879 18.116 92 HG SER 12 HG SER 12 2.445 3.273 19.355 93 H ALA 13 H ALA 13 0.740 4.245 14.929 94 HA ALA 13 HA ALA 13 -1.632 2.728 14.306 95 1HB ALA 13 HB1 ALA 13 -1.708 5.185 14.609 96 2HB ALA 13 HB2 ALA 13 -0.664 5.396 13.182 97 3HB ALA 13 HB3 ALA 13 -2.285 4.704 13.003 98 H GLU 14 H GLU 14 1.282 3.787 12.536 99 HA GLU 14 HA GLU 14 0.503 2.744 10.001 100 1HB GLU 14 HB2 GLU 14 3.274 3.251 11.175 101 2HB GLU 14 HB3 GLU 14 2.988 2.790 9.503 102 1HG GLU 14 HG2 GLU 14 2.035 5.338 10.859 103 2HG GLU 14 HG3 GLU 14 3.319 5.190 9.665 104 H THR 15 H THR 15 2.300 1.233 12.725 105 HA THR 15 HA THR 15 2.697 -1.212 11.283 106 HB THR 15 HB THR 15 3.526 -1.994 13.532 107 HG1 THR 15 HG1 THR 15 3.345 0.744 14.200 108 1HG2 THR 15 HG21 THR 15 4.734 0.513 12.272 109 2HG2 THR 15 HG22 THR 15 5.558 -0.535 13.435 110 3HG2 THR 15 HG23 THR 15 5.086 -1.179 11.861 111 H SER 16 H SER 16 -0.164 -0.046 12.335 112 HA SER 16 HA SER 16 -1.155 -2.680 13.231 113 1HB SER 16 HB2 SER 16 -2.348 0.092 13.599 114 2HB SER 16 HB3 SER 16 -3.087 -1.429 14.133 115 HG SER 16 HG SER 16 -0.738 -0.166 15.059 116 H GLU 17 H GLU 17 -0.523 -2.130 10.461 117 HA GLU 17 HA GLU 17 -3.222 -2.516 9.284 118 1HB GLU 17 HB2 GLU 17 -1.021 -0.778 8.101 119 2HB GLU 17 HB3 GLU 17 -2.537 -1.225 7.303 120 1HG GLU 17 HG2 GLU 17 -3.734 -0.168 9.322 121 2HG GLU 17 HG3 GLU 17 -2.176 0.564 9.720 122 H GLY 18 H GLY 18 -1.903 -4.665 10.095 123 1HA GLY 18 HA2 GLY 18 -1.772 -6.779 9.001 124 2HA GLY 18 HA3 GLY 18 -1.178 -5.993 7.532 125 H VAL 19 H VAL 19 0.657 -7.440 7.530 126 HA VAL 19 HA VAL 19 2.671 -7.208 9.655 127 HB VAL 19 HB VAL 19 2.899 -8.352 6.834 128 1HG1 VAL 19 HG11 VAL 19 5.014 -9.406 7.802 129 2HG1 VAL 19 HG12 VAL 19 5.132 -7.654 7.582 130 3HG1 VAL 19 HG13 VAL 19 4.835 -8.334 9.196 131 1HG2 VAL 19 HG21 VAL 19 1.406 -9.692 8.325 132 2HG2 VAL 19 HG22 VAL 19 2.919 -10.534 7.972 133 3HG2 VAL 19 HG23 VAL 19 2.698 -9.745 9.546 134 H VAL 20 H VAL 20 4.284 -5.722 9.685 135 HA VAL 20 HA VAL 20 4.636 -3.854 7.424 136 HB VAL 20 HB VAL 20 4.245 -3.081 10.355 137 1HG1 VAL 20 HG11 VAL 20 4.286 -0.748 9.476 138 2HG1 VAL 20 HG12 VAL 20 5.831 -1.565 9.249 139 3HG1 VAL 20 HG13 VAL 20 4.729 -1.377 7.875 140 1HG2 VAL 20 HG21 VAL 20 2.202 -1.816 9.295 141 2HG2 VAL 20 HG22 VAL 20 2.368 -2.952 7.966 142 3HG2 VAL 20 HG23 VAL 20 2.058 -3.541 9.604 143 H LEU 21 H LEU 21 6.796 -3.392 7.128 144 HA LEU 21 HA LEU 21 8.734 -4.710 8.995 145 1HB LEU 21 HB2 LEU 21 8.389 -5.719 6.731 146 2HB LEU 21 HB3 LEU 21 9.003 -4.223 6.008 147 HG LEU 21 HG LEU 21 10.462 -6.252 7.745 148 1HD1 LEU 21 HD11 LEU 21 11.831 -6.596 5.754 149 2HD1 LEU 21 HD12 LEU 21 10.126 -6.795 5.340 150 3HD1 LEU 21 HD13 LEU 21 10.970 -5.297 4.896 151 1HD2 LEU 21 HD21 LEU 21 12.547 -4.926 7.313 152 2HD2 LEU 21 HD22 LEU 21 11.529 -3.568 6.794 153 3HD2 LEU 21 HD23 LEU 21 11.444 -4.189 8.467 154 H ALA 22 H ALA 22 9.390 -3.090 10.303 155 HA ALA 22 HA ALA 22 9.595 -0.342 9.296 156 1HB ALA 22 HB1 ALA 22 10.036 -1.596 12.024 157 2HB ALA 22 HB2 ALA 22 10.170 0.138 11.669 158 3HB ALA 22 HB3 ALA 22 8.598 -0.688 11.497 159 H ASP 23 H ASP 23 11.553 0.767 9.245 160 HA ASP 23 HA ASP 23 14.089 -0.809 9.334 161 1HB ASP 23 HB2 ASP 23 13.517 -0.611 7.021 162 2HB ASP 23 HB3 ASP 23 13.062 1.085 7.204 163 H PHE 24 H PHE 24 14.796 -0.077 11.203 164 HA PHE 24 HA PHE 24 14.687 2.724 12.063 165 1HB PHE 24 HB2 PHE 24 15.848 0.163 13.248 166 2HB PHE 24 HB3 PHE 24 16.106 1.751 13.942 167 HD1 PHE 24 HD1 PHE 24 13.230 -0.440 12.779 168 HD2 PHE 24 HD2 PHE 24 14.638 2.483 15.627 169 HE1 PHE 24 HE1 PHE 24 11.023 -0.439 13.893 170 HE2 PHE 24 HE2 PHE 24 12.427 2.467 16.722 171 HZ PHE 24 HZ PHE 24 10.589 1.049 15.815 172 H TRP 25 H TRP 25 16.062 4.113 11.201 173 HA TRP 25 HA TRP 25 18.783 3.374 10.494 174 1HB TRP 25 HB2 TRP 25 18.473 3.151 8.305 175 2HB TRP 25 HB3 TRP 25 16.758 3.126 8.564 176 HD1 TRP 25 HD1 TRP 25 19.395 4.995 6.781 177 HE1 TRP 25 HE1 TRP 25 18.414 7.025 5.578 178 HE3 TRP 25 HE3 TRP 25 14.908 5.271 9.181 179 HZ2 TRP 25 HZ2 TRP 25 16.115 8.758 5.845 180 HZ3 TRP 25 HZ3 TRP 25 13.368 7.192 8.759 181 HH2 TRP 25 HH2 TRP 25 13.973 8.933 7.090 182 H ALA 26 H ALA 26 19.627 5.635 9.236 183 HA ALA 26 HA ALA 26 18.307 8.010 10.127 184 1HB ALA 26 HB1 ALA 26 19.694 7.577 12.164 185 2HB ALA 26 HB2 ALA 26 21.151 7.499 11.145 186 3HB ALA 26 HB3 ALA 26 20.223 9.016 11.291 187 HA PRO 27 HA PRO 27 20.129 8.811 6.138 188 1HB PRO 27 HB2 PRO 27 20.470 11.688 6.907 189 2HB PRO 27 HB3 PRO 27 19.693 10.964 5.457 190 1HG PRO 27 HG2 PRO 27 18.201 11.969 7.535 191 2HG PRO 27 HG3 PRO 27 17.711 10.480 6.670 192 1HD PRO 27 HD2 PRO 27 19.112 10.722 9.337 193 2HD PRO 27 HD3 PRO 27 17.786 9.626 8.835 194 H TRP 28 H TRP 28 21.925 9.695 9.023 195 HA TRP 28 HA TRP 28 24.370 10.307 7.669 196 1HB TRP 28 HB2 TRP 28 24.398 9.279 10.467 197 2HB TRP 28 HB3 TRP 28 25.272 10.626 9.753 198 HD1 TRP 28 HD1 TRP 28 22.409 9.764 11.830 199 HE1 TRP 28 HE1 TRP 28 20.790 11.700 12.256 200 HE3 TRP 28 HE3 TRP 28 24.271 13.071 8.419 201 HZ2 TRP 28 HZ2 TRP 28 20.379 14.398 11.237 202 HZ3 TRP 28 HZ3 TRP 28 23.236 15.310 8.142 203 HH2 TRP 28 HH2 TRP 28 21.295 15.983 9.543 204 H CYS 29 H CYS 29 22.700 7.377 8.183 205 HA CYS 29 HA CYS 29 24.738 5.537 8.805 206 1HB CYS 29 HB2 CYS 29 22.229 5.252 8.990 207 2HB CYS 29 HB3 CYS 29 22.167 5.142 7.255 208 H GLY 30 H GLY 30 25.834 4.026 7.474 209 1HA GLY 30 HA2 GLY 30 26.181 4.718 4.597 210 2HA GLY 30 HA3 GLY 30 27.278 3.749 5.589 211 HA PRO 31 HA PRO 31 25.471 0.040 4.299 212 1HB PRO 31 HB2 PRO 31 24.548 -1.418 6.512 213 2HB PRO 31 HB3 PRO 31 26.239 -1.289 5.948 214 1HG PRO 31 HG2 PRO 31 24.869 0.295 8.126 215 2HG PRO 31 HG3 PRO 31 26.509 -0.421 8.128 216 1HD PRO 31 HD2 PRO 31 26.120 2.200 7.648 217 2HD PRO 31 HD3 PRO 31 27.347 1.292 6.720 218 H CYS 32 H CYS 32 23.187 1.828 6.349 219 HA CYS 32 HA CYS 32 20.782 0.573 5.608 220 1HB CYS 32 HB2 CYS 32 21.177 3.561 5.924 221 2HB CYS 32 HB3 CYS 32 19.704 2.645 6.148 222 H LYS 33 H LYS 33 22.851 2.832 3.754 223 HA LYS 33 HA LYS 33 20.884 3.460 1.764 224 1HB LYS 33 HB2 LYS 33 23.915 3.540 1.495 225 2HB LYS 33 HB3 LYS 33 22.748 4.438 0.534 226 1HG LYS 33 HG2 LYS 33 23.248 4.845 3.522 227 2HG LYS 33 HG3 LYS 33 23.941 5.809 2.226 228 1HD LYS 33 HD2 LYS 33 21.784 6.702 1.604 229 2HD LYS 33 HD3 LYS 33 20.932 5.566 2.651 230 1HE LYS 33 HE2 LYS 33 21.060 7.875 3.616 231 2HE LYS 33 HE3 LYS 33 21.731 6.611 4.653 232 1HZ LYS 33 HZ1 LYS 33 23.431 8.309 2.923 233 2HZ LYS 33 HZ2 LYS 33 23.075 8.654 4.487 234 3HZ LYS 33 HZ3 LYS 33 23.898 7.295 4.156 235 H MET 34 H MET 34 22.989 0.675 2.276 236 HA MET 34 HA MET 34 22.939 -0.239 -0.451 237 1HB MET 34 HB2 MET 34 23.367 -1.872 2.074 238 2HB MET 34 HB3 MET 34 23.802 -2.331 0.427 239 1HG MET 34 HG2 MET 34 25.398 -0.385 0.372 240 2HG MET 34 HG3 MET 34 25.035 -0.090 2.070 241 1HE MET 34 HE1 MET 34 26.373 -3.530 3.675 242 2HE MET 34 HE2 MET 34 25.167 -2.235 3.850 243 3HE MET 34 HE3 MET 34 24.858 -3.597 2.757 244 H ILE 35 H ILE 35 20.998 -0.901 2.499 245 HA ILE 35 HA ILE 35 19.438 -2.881 1.084 246 HB ILE 35 HB ILE 35 20.114 -3.180 3.417 247 1HG1 ILE 35 HG12 ILE 35 17.100 -3.226 3.033 248 2HG1 ILE 35 HG13 ILE 35 18.235 -4.432 2.413 249 1HG2 ILE 35 HG21 ILE 35 18.083 -1.018 4.086 250 2HG2 ILE 35 HG22 ILE 35 18.979 -2.019 5.253 251 3HG2 ILE 35 HG23 ILE 35 19.857 -0.896 4.236 252 1HD1 ILE 35 HD11 ILE 35 17.622 -3.814 5.333 253 2HD1 ILE 35 HD12 ILE 35 17.242 -5.282 4.432 254 3HD1 ILE 35 HD13 ILE 35 18.927 -4.898 4.798 255 H ALA 36 H ALA 36 19.051 0.581 1.694 256 HA ALA 36 HA ALA 36 16.329 0.882 1.496 257 1HB ALA 36 HB1 ALA 36 16.776 3.099 0.500 258 2HB ALA 36 HB2 ALA 36 17.824 2.739 1.885 259 3HB ALA 36 HB3 ALA 36 18.470 2.637 0.236 260 HA PRO 37 HA PRO 37 16.113 0.602 -3.249 261 1HB PRO 37 HB2 PRO 37 18.095 -0.668 -4.695 262 2HB PRO 37 HB3 PRO 37 18.024 1.098 -4.410 263 1HG PRO 37 HG2 PRO 37 19.599 -0.977 -2.863 264 2HG PRO 37 HG3 PRO 37 20.171 0.599 -3.499 265 1HD PRO 37 HD2 PRO 37 19.430 0.338 -0.923 266 2HD PRO 37 HD3 PRO 37 18.988 1.802 -1.839 267 H VAL 38 H VAL 38 17.640 -1.984 -1.356 268 HA VAL 38 HA VAL 38 16.366 -4.131 -2.776 269 HB VAL 38 HB VAL 38 17.470 -4.118 0.064 270 1HG1 VAL 38 HG11 VAL 38 16.973 -6.389 -1.900 271 2HG1 VAL 38 HG12 VAL 38 17.763 -6.527 -0.298 272 3HG1 VAL 38 HG13 VAL 38 16.064 -6.067 -0.397 273 1HG2 VAL 38 HG21 VAL 38 18.849 -4.798 -2.574 274 2HG2 VAL 38 HG22 VAL 38 19.247 -3.431 -1.513 275 3HG2 VAL 38 HG23 VAL 38 19.519 -5.078 -0.953 276 H LEU 39 H LEU 39 15.498 -2.135 0.129 277 HA LEU 39 HA LEU 39 12.999 -3.427 0.581 278 1HB LEU 39 HB2 LEU 39 14.007 -0.627 1.197 279 2HB LEU 39 HB3 LEU 39 12.405 -1.171 1.673 280 HG LEU 39 HG LEU 39 14.910 -2.696 2.442 281 1HD1 LEU 39 HD11 LEU 39 13.512 -0.510 4.040 282 2HD1 LEU 39 HD12 LEU 39 14.818 -1.563 4.635 283 3HD1 LEU 39 HD13 LEU 39 15.135 -0.426 3.318 284 1HD2 LEU 39 HD21 LEU 39 13.488 -3.631 4.224 285 2HD2 LEU 39 HD22 LEU 39 12.123 -2.630 3.695 286 3HD2 LEU 39 HD23 LEU 39 12.737 -3.921 2.649 287 H GLU 40 H GLU 40 13.911 -0.707 -1.590 288 HA GLU 40 HA GLU 40 11.251 -0.289 -2.532 289 1HB GLU 40 HB2 GLU 40 13.917 0.179 -3.912 290 2HB GLU 40 HB3 GLU 40 12.358 0.610 -4.615 291 1HG GLU 40 HG2 GLU 40 11.854 2.056 -2.676 292 2HG GLU 40 HG3 GLU 40 13.417 1.668 -1.961 293 H GLU 41 H GLU 41 13.728 -2.670 -3.602 294 HA GLU 41 HA GLU 41 12.057 -3.724 -5.682 295 1HB GLU 41 HB2 GLU 41 14.397 -4.911 -4.162 296 2HB GLU 41 HB3 GLU 41 13.502 -5.786 -5.412 297 1HG GLU 41 HG2 GLU 41 13.976 -3.994 -7.050 298 2HG GLU 41 HG3 GLU 41 14.908 -3.115 -5.844 299 H LEU 42 H LEU 42 12.307 -4.392 -2.212 300 HA LEU 42 HA LEU 42 10.616 -6.664 -2.170 301 1HB LEU 42 HB2 LEU 42 12.150 -5.450 -0.309 302 2HB LEU 42 HB3 LEU 42 10.638 -4.676 0.116 303 HG LEU 42 HG LEU 42 11.449 -7.586 0.285 304 1HD1 LEU 42 HD11 LEU 42 11.913 -6.105 2.186 305 2HD1 LEU 42 HD12 LEU 42 10.210 -5.616 2.258 306 3HD1 LEU 42 HD13 LEU 42 10.667 -7.290 2.623 307 1HD2 LEU 42 HD21 LEU 42 9.272 -7.817 -0.683 308 2HD2 LEU 42 HD22 LEU 42 9.117 -8.125 1.048 309 3HD2 LEU 42 HD23 LEU 42 8.592 -6.567 0.385 310 H ASP 43 H ASP 43 9.898 -3.161 -1.772 311 HA ASP 43 HA ASP 43 7.101 -3.187 -1.540 312 1HB ASP 43 HB2 ASP 43 8.560 -1.170 -1.367 313 2HB ASP 43 HB3 ASP 43 8.845 -1.244 -3.114 314 H GLN 44 H GLN 44 9.127 -3.181 -4.476 315 HA GLN 44 HA GLN 44 6.906 -3.223 -6.269 316 1HB GLN 44 HB2 GLN 44 9.857 -3.800 -6.643 317 2HB GLN 44 HB3 GLN 44 8.702 -3.775 -7.982 318 1HG GLN 44 HG2 GLN 44 8.117 -1.471 -7.587 319 2HG GLN 44 HG3 GLN 44 8.994 -1.415 -6.059 320 1HE2 GLN 44 HE22 GLN 44 11.300 -1.432 -6.081 321 2HE2 GLN 44 HE21 GLN 44 12.221 -0.966 -7.513 322 H GLU 45 H GLU 45 8.045 -5.762 -4.307 323 HA GLU 45 HA GLU 45 7.058 -7.857 -6.149 324 1HB GLU 45 HB2 GLU 45 9.025 -7.816 -3.858 325 2HB GLU 45 HB3 GLU 45 8.340 -9.333 -4.491 326 1HG GLU 45 HG2 GLU 45 9.131 -8.817 -6.743 327 2HG GLU 45 HG3 GLU 45 9.699 -7.235 -6.224 328 H MET 46 H MET 46 6.584 -6.694 -2.735 329 HA MET 46 HA MET 46 3.893 -7.920 -2.899 330 1HB MET 46 HB2 MET 46 4.171 -8.856 -0.681 331 2HB MET 46 HB3 MET 46 5.369 -9.488 -1.847 332 1HG MET 46 HG2 MET 46 7.131 -8.364 -0.873 333 2HG MET 46 HG3 MET 46 6.102 -7.235 0.009 334 1HE MET 46 HE1 MET 46 6.274 -11.703 1.280 335 2HE MET 46 HE2 MET 46 5.023 -11.070 0.184 336 3HE MET 46 HE3 MET 46 6.725 -11.133 -0.347 337 H GLY 47 H GLY 47 4.925 -4.972 -2.886 338 1HA GLY 47 HA2 GLY 47 4.162 -3.778 -0.466 339 2HA GLY 47 HA3 GLY 47 4.129 -3.024 -2.071 340 H ASP 48 H ASP 48 2.070 -5.520 -2.449 341 HA ASP 48 HA ASP 48 -0.373 -4.012 -1.923 342 1HB ASP 48 HB2 ASP 48 -0.204 -5.349 -3.965 343 2HB ASP 48 HB3 ASP 48 0.120 -6.803 -3.016 344 H LYS 49 H LYS 49 1.522 -6.658 -0.529 345 HA LYS 49 HA LYS 49 -0.548 -7.268 1.521 346 1HB LYS 49 HB2 LYS 49 2.132 -8.621 0.892 347 2HB LYS 49 HB3 LYS 49 0.968 -9.160 2.085 348 1HG LYS 49 HG2 LYS 49 0.592 -9.116 -0.937 349 2HG LYS 49 HG3 LYS 49 0.843 -10.528 0.076 350 1HD LYS 49 HD2 LYS 49 -1.618 -8.728 0.094 351 2HD LYS 49 HD3 LYS 49 -1.489 -10.335 -0.621 352 1HE LYS 49 HE2 LYS 49 -1.012 -11.301 1.629 353 2HE LYS 49 HE3 LYS 49 -1.197 -9.696 2.350 354 1HZ LYS 49 HZ1 LYS 49 -3.329 -11.177 0.917 355 2HZ LYS 49 HZ2 LYS 49 -3.229 -10.984 2.530 356 3HZ LYS 49 HZ3 LYS 49 -3.503 -9.691 1.578 357 H LEU 50 H LEU 50 2.710 -5.975 1.058 358 HA LEU 50 HA LEU 50 3.110 -5.728 3.968 359 1HB LEU 50 HB2 LEU 50 4.755 -6.894 2.537 360 2HB LEU 50 HB3 LEU 50 4.936 -5.445 1.547 361 HG LEU 50 HG LEU 50 5.928 -4.234 3.457 362 1HD1 LEU 50 HD11 LEU 50 5.742 -6.901 4.929 363 2HD1 LEU 50 HD12 LEU 50 6.591 -5.447 5.487 364 3HD1 LEU 50 HD13 LEU 50 4.844 -5.440 5.349 365 1HD2 LEU 50 HD21 LEU 50 7.236 -6.864 2.730 366 2HD2 LEU 50 HD22 LEU 50 7.384 -5.303 1.900 367 3HD2 LEU 50 HD23 LEU 50 8.055 -5.499 3.527 368 H LYS 51 H LYS 51 3.894 -3.815 4.934 369 HA LYS 51 HA LYS 51 3.871 -1.272 3.391 370 1HB LYS 51 HB2 LYS 51 1.914 -1.299 4.954 371 2HB LYS 51 HB3 LYS 51 3.016 -1.669 6.281 372 1HG LYS 51 HG2 LYS 51 4.234 0.552 5.642 373 2HG LYS 51 HG3 LYS 51 2.804 0.911 4.680 374 1HD LYS 51 HD2 LYS 51 2.824 0.259 7.660 375 2HD LYS 51 HD3 LYS 51 2.886 1.894 7.038 376 1HE LYS 51 HE2 LYS 51 0.629 0.052 6.203 377 2HE LYS 51 HE3 LYS 51 0.628 0.797 7.806 378 1HZ LYS 51 HZ1 LYS 51 0.600 2.280 5.265 379 2HZ LYS 51 HZ2 LYS 51 -0.590 2.144 6.412 380 3HZ LYS 51 HZ3 LYS 51 0.776 2.957 6.775 381 H ILE 52 H ILE 52 5.778 -0.013 3.955 382 HA ILE 52 HA ILE 52 7.761 -1.411 5.680 383 HB ILE 52 HB ILE 52 8.241 -0.014 3.026 384 1HG1 ILE 52 HG12 ILE 52 8.623 -2.938 3.802 385 2HG1 ILE 52 HG13 ILE 52 7.327 -2.309 2.786 386 1HG2 ILE 52 HG21 ILE 52 10.626 -0.543 3.333 387 2HG2 ILE 52 HG22 ILE 52 10.061 0.465 4.652 388 3HG2 ILE 52 HG23 ILE 52 10.277 -1.280 4.913 389 1HD1 ILE 52 HD11 ILE 52 8.927 -3.290 1.330 390 2HD1 ILE 52 HD12 ILE 52 9.036 -1.538 1.115 391 3HD1 ILE 52 HD13 ILE 52 10.268 -2.406 2.063 392 H VAL 53 H VAL 53 8.667 0.017 7.216 393 HA VAL 53 HA VAL 53 7.742 2.878 7.037 394 HB VAL 53 HB VAL 53 7.497 0.996 9.414 395 1HG1 VAL 53 HG11 VAL 53 6.884 3.990 9.193 396 2HG1 VAL 53 HG12 VAL 53 6.442 2.947 10.564 397 3HG1 VAL 53 HG13 VAL 53 8.144 3.258 10.209 398 1HG2 VAL 53 HG21 VAL 53 5.692 0.764 7.722 399 2HG2 VAL 53 HG22 VAL 53 5.103 1.462 9.237 400 3HG2 VAL 53 HG23 VAL 53 5.372 2.499 7.828 401 H LYS 54 H LYS 54 9.637 3.886 6.571 402 HA LYS 54 HA LYS 54 12.136 3.136 7.934 403 1HB LYS 54 HB2 LYS 54 11.452 5.634 6.327 404 2HB LYS 54 HB3 LYS 54 13.068 5.119 6.838 405 1HG LYS 54 HG2 LYS 54 12.784 3.019 5.486 406 2HG LYS 54 HG3 LYS 54 11.271 3.670 4.847 407 1HD LYS 54 HD2 LYS 54 14.027 4.939 4.544 408 2HD LYS 54 HD3 LYS 54 13.174 4.000 3.310 409 1HE LYS 54 HE2 LYS 54 11.322 5.678 3.325 410 2HE LYS 54 HE3 LYS 54 12.213 6.637 4.514 411 1HZ LYS 54 HZ1 LYS 54 13.980 6.917 2.874 412 2HZ LYS 54 HZ2 LYS 54 13.162 6.029 1.771 413 3HZ LYS 54 HZ3 LYS 54 12.568 7.459 2.272 414 H ILE 55 H ILE 55 12.909 4.105 9.831 415 HA ILE 55 HA ILE 55 11.505 6.485 10.848 416 HB ILE 55 HB ILE 55 10.228 4.698 11.769 417 1HG1 ILE 55 HG12 ILE 55 11.996 5.799 13.980 418 2HG1 ILE 55 HG13 ILE 55 10.825 6.776 13.085 419 1HG2 ILE 55 HG21 ILE 55 11.071 2.966 13.255 420 2HG2 ILE 55 HG22 ILE 55 11.879 2.833 11.697 421 3HG2 ILE 55 HG23 ILE 55 12.727 3.561 13.079 422 1HD1 ILE 55 HD11 ILE 55 8.982 5.350 13.827 423 2HD1 ILE 55 HD12 ILE 55 10.117 4.323 14.739 424 3HD1 ILE 55 HD13 ILE 55 9.869 6.009 15.206 425 H ASP 56 H ASP 56 12.867 7.937 11.532 426 HA ASP 56 HA ASP 56 15.723 7.410 11.303 427 1HB ASP 56 HB2 ASP 56 14.802 9.363 10.233 428 2HB ASP 56 HB3 ASP 56 14.157 9.956 11.770 429 H VAL 57 H VAL 57 16.699 6.543 13.086 430 HA VAL 57 HA VAL 57 15.550 6.591 15.672 431 HB VAL 57 HB VAL 57 17.603 5.567 16.456 432 1HG1 VAL 57 HG11 VAL 57 15.888 4.256 15.223 433 2HG1 VAL 57 HG12 VAL 57 16.831 4.438 13.734 434 3HG1 VAL 57 HG13 VAL 57 17.515 3.558 15.117 435 1HG2 VAL 57 HG21 VAL 57 19.318 6.829 15.198 436 2HG2 VAL 57 HG22 VAL 57 19.505 5.084 14.988 437 3HG2 VAL 57 HG23 VAL 57 18.789 6.056 13.692 438 H ASP 58 H ASP 58 17.548 9.032 14.106 439 HA ASP 58 HA ASP 58 18.703 10.132 16.502 440 1HB ASP 58 HB2 ASP 58 19.549 10.590 14.216 441 2HB ASP 58 HB3 ASP 58 18.067 11.489 13.859 442 H GLU 59 H GLU 59 15.493 10.245 15.188 443 HA GLU 59 HA GLU 59 14.694 12.393 17.118 444 1HB GLU 59 HB2 GLU 59 13.426 11.524 14.489 445 2HB GLU 59 HB3 GLU 59 12.767 12.740 15.593 446 1HG GLU 59 HG2 GLU 59 14.910 14.059 15.307 447 2HG GLU 59 HG3 GLU 59 15.363 12.940 14.018 448 H ASN 60 H ASN 60 14.884 9.148 16.983 449 HA ASN 60 HA ASN 60 12.260 8.634 18.296 450 1HB ASN 60 HB2 ASN 60 13.324 7.188 15.836 451 2HB ASN 60 HB3 ASN 60 12.032 6.579 16.843 452 1HD2 ASN 60 HD22 ASN 60 12.828 8.832 14.345 453 2HD2 ASN 60 HD21 ASN 60 11.211 9.482 14.131 454 H GLN 61 H GLN 61 14.784 8.944 19.494 455 HA GLN 61 HA GLN 61 16.168 6.537 20.009 456 1HB GLN 61 HB2 GLN 61 15.660 8.983 21.752 457 2HB GLN 61 HB3 GLN 61 16.747 7.674 22.213 458 1HG GLN 61 HG2 GLN 61 17.060 9.314 19.662 459 2HG GLN 61 HG3 GLN 61 17.890 9.659 21.177 460 1HE2 GLN 61 HE22 GLN 61 17.897 7.705 18.310 461 2HE2 GLN 61 HE21 GLN 61 19.311 6.732 18.707 462 H GLU 62 H GLU 62 13.110 7.806 21.383 463 HA GLU 62 HA GLU 62 12.862 5.872 23.452 464 1HB GLU 62 HB2 GLU 62 10.750 7.453 21.917 465 2HB GLU 62 HB3 GLU 62 10.425 6.472 23.355 466 1HG GLU 62 HG2 GLU 62 12.047 7.852 24.655 467 2HG GLU 62 HG3 GLU 62 12.305 8.873 23.240 468 H THR 63 H THR 63 11.607 5.868 20.022 469 HA THR 63 HA THR 63 10.313 3.384 20.253 470 HB THR 63 HB THR 63 11.457 4.282 17.662 471 HG1 THR 63 HG1 THR 63 9.896 5.976 17.557 472 1HG2 THR 63 HG21 THR 63 9.763 2.444 17.789 473 2HG2 THR 63 HG22 THR 63 8.596 3.600 18.467 474 3HG2 THR 63 HG23 THR 63 9.209 3.804 16.811 475 H ALA 64 H ALA 64 13.611 4.272 19.165 476 HA ALA 64 HA ALA 64 14.533 1.671 18.510 477 1HB ALA 64 HB1 ALA 64 16.806 2.686 18.986 478 2HB ALA 64 HB2 ALA 64 15.792 3.713 17.953 479 3HB ALA 64 HB3 ALA 64 16.002 4.097 19.673 480 H GLY 65 H GLY 65 14.651 3.439 21.653 481 1HA GLY 65 HA2 GLY 65 15.785 1.392 23.223 482 2HA GLY 65 HA3 GLY 65 14.729 2.696 23.797 483 H LYS 66 H LYS 66 12.445 1.843 22.113 484 HA LYS 66 HA LYS 66 11.002 0.203 23.843 485 1HB LYS 66 HB2 LYS 66 10.379 1.751 21.763 486 2HB LYS 66 HB3 LYS 66 10.309 0.189 20.948 487 1HG LYS 66 HG2 LYS 66 8.764 -0.644 22.728 488 2HG LYS 66 HG3 LYS 66 8.870 0.914 23.561 489 1HD LYS 66 HD2 LYS 66 7.779 0.472 20.776 490 2HD LYS 66 HD3 LYS 66 6.814 0.630 22.257 491 1HE LYS 66 HE2 LYS 66 7.714 2.938 22.587 492 2HE LYS 66 HE3 LYS 66 8.628 2.785 21.084 493 1HZ LYS 66 HZ1 LYS 66 6.474 2.514 19.928 494 2HZ LYS 66 HZ2 LYS 66 5.684 2.818 21.329 495 3HZ LYS 66 HZ3 LYS 66 6.626 3.976 20.648 496 H TYR 67 H TYR 67 13.120 -0.746 21.152 497 HA TYR 67 HA TYR 67 12.662 -3.613 21.895 498 1HB TYR 67 HB2 TYR 67 13.684 -2.814 19.198 499 2HB TYR 67 HB3 TYR 67 12.827 -4.267 19.676 500 HD1 TYR 67 HD1 TYR 67 10.291 -4.134 20.044 501 HD2 TYR 67 HD2 TYR 67 12.593 -0.828 18.497 502 HE1 TYR 67 HE1 TYR 67 8.197 -2.994 19.365 503 HE2 TYR 67 HE2 TYR 67 10.545 0.337 17.880 504 HH TYR 67 HH TYR 67 7.261 -1.050 18.489 505 H GLY 68 H GLY 68 14.795 -1.336 22.628 506 1HA GLY 68 HA2 GLY 68 16.994 -1.297 23.201 507 2HA GLY 68 HA3 GLY 68 17.011 -3.062 23.062 508 H VAL 69 H VAL 69 16.224 -0.882 20.337 509 HA VAL 69 HA VAL 69 18.303 -1.954 18.625 510 HB VAL 69 HB VAL 69 16.632 0.580 18.363 511 1HG1 VAL 69 HG11 VAL 69 18.553 0.681 16.875 512 2HG1 VAL 69 HG12 VAL 69 18.236 -0.964 16.296 513 3HG1 VAL 69 HG13 VAL 69 17.104 0.355 15.926 514 1HG2 VAL 69 HG21 VAL 69 16.077 -2.223 17.331 515 2HG2 VAL 69 HG22 VAL 69 15.110 -1.277 18.483 516 3HG2 VAL 69 HG23 VAL 69 15.207 -0.761 16.806 517 H MET 70 H MET 70 20.388 -1.359 18.586 518 HA MET 70 HA MET 70 21.258 1.228 19.770 519 1HB MET 70 HB2 MET 70 21.368 -0.786 21.350 520 2HB MET 70 HB3 MET 70 22.608 -1.453 20.282 521 1HG MET 70 HG2 MET 70 24.047 0.499 20.739 522 2HG MET 70 HG3 MET 70 22.754 1.250 21.684 523 1HE MET 70 HE1 MET 70 24.459 1.689 23.649 524 2HE MET 70 HE2 MET 70 25.482 0.429 24.373 525 3HE MET 70 HE3 MET 70 25.753 0.933 22.691 526 H SER 71 H SER 71 21.120 -0.546 17.007 527 HA SER 71 HA SER 71 23.458 0.678 15.802 528 1HB SER 71 HB2 SER 71 22.874 -2.315 15.578 529 2HB SER 71 HB3 SER 71 24.164 -1.436 14.744 530 HG SER 71 HG SER 71 24.912 -2.556 16.599 531 H ILE 72 H ILE 72 23.194 0.467 13.342 532 HA ILE 72 HA ILE 72 20.510 -0.205 12.431 533 HB ILE 72 HB ILE 72 20.303 1.930 11.181 534 1HG1 ILE 72 HG12 ILE 72 22.448 3.039 13.041 535 2HG1 ILE 72 HG13 ILE 72 22.709 2.647 11.339 536 1HG2 ILE 72 HG21 ILE 72 20.319 2.406 14.186 537 2HG2 ILE 72 HG22 ILE 72 19.262 3.150 12.971 538 3HG2 ILE 72 HG23 ILE 72 19.095 1.436 13.345 539 1HD1 ILE 72 HD11 ILE 72 20.762 4.743 12.390 540 2HD1 ILE 72 HD12 ILE 72 22.301 5.022 11.558 541 3HD1 ILE 72 HD13 ILE 72 20.955 4.263 10.688 542 HA PRO 73 HA PRO 73 19.561 0.258 10.032 543 1HB PRO 73 HB2 PRO 73 19.034 -1.682 8.182 544 2HB PRO 73 HB3 PRO 73 19.718 -0.090 7.761 545 1HG PRO 73 HG2 PRO 73 21.181 -2.710 8.153 546 2HG PRO 73 HG3 PRO 73 21.392 -1.512 6.839 547 1HD PRO 73 HD2 PRO 73 23.049 -1.609 9.018 548 2HD PRO 73 HD3 PRO 73 22.616 -0.064 8.232 549 H THR 74 H THR 74 17.956 -0.698 11.216 550 HA THR 74 HA THR 74 18.254 -3.569 11.960 551 HB THR 74 HB THR 74 17.704 -1.250 13.848 552 HG1 THR 74 HG1 THR 74 19.699 -1.591 14.323 553 1HG2 THR 74 HG21 THR 74 17.336 -4.253 14.246 554 2HG2 THR 74 HG22 THR 74 17.560 -3.119 15.593 555 3HG2 THR 74 HG23 THR 74 16.162 -2.955 14.525 556 H LEU 75 H LEU 75 16.315 -4.680 12.025 557 HA LEU 75 HA LEU 75 14.099 -3.268 10.634 558 1HB LEU 75 HB2 LEU 75 15.133 -6.090 10.222 559 2HB LEU 75 HB3 LEU 75 13.793 -5.340 9.364 560 HG LEU 75 HG LEU 75 16.725 -4.483 9.205 561 1HD1 LEU 75 HD11 LEU 75 16.241 -6.658 8.142 562 2HD1 LEU 75 HD12 LEU 75 14.946 -5.893 7.194 563 3HD1 LEU 75 HD13 LEU 75 16.644 -5.417 6.949 564 1HD2 LEU 75 HD21 LEU 75 15.358 -2.527 8.820 565 2HD2 LEU 75 HD22 LEU 75 15.978 -3.085 7.269 566 3HD2 LEU 75 HD23 LEU 75 14.289 -3.413 7.717 567 H LEU 76 H LEU 76 12.121 -3.560 11.539 568 HA LEU 76 HA LEU 76 11.802 -5.642 13.694 569 1HB LEU 76 HB2 LEU 76 10.970 -2.714 13.644 570 2HB LEU 76 HB3 LEU 76 10.120 -3.892 14.612 571 HG LEU 76 HG LEU 76 11.718 -2.482 15.882 572 1HD1 LEU 76 HD11 LEU 76 12.738 -4.401 17.154 573 2HD1 LEU 76 HD12 LEU 76 11.001 -4.517 16.861 574 3HD1 LEU 76 HD13 LEU 76 12.132 -5.500 15.899 575 1HD2 LEU 76 HD21 LEU 76 13.963 -4.111 14.668 576 2HD2 LEU 76 HD22 LEU 76 13.556 -2.465 14.135 577 3HD2 LEU 76 HD23 LEU 76 14.056 -2.762 15.808 578 H VAL 77 H VAL 77 10.239 -7.022 13.052 579 HA VAL 77 HA VAL 77 8.382 -6.142 10.889 580 HB VAL 77 HB VAL 77 8.697 -8.948 11.954 581 1HG1 VAL 77 HG11 VAL 77 6.594 -8.439 10.804 582 2HG1 VAL 77 HG12 VAL 77 7.489 -7.849 9.389 583 3HG1 VAL 77 HG13 VAL 77 7.573 -9.566 9.853 584 1HG2 VAL 77 HG21 VAL 77 10.087 -7.723 9.528 585 2HG2 VAL 77 HG22 VAL 77 10.879 -8.401 10.968 586 3HG2 VAL 77 HG23 VAL 77 9.990 -9.463 9.872 587 H LEU 78 H LEU 78 6.501 -5.465 11.642 588 HA LEU 78 HA LEU 78 5.544 -6.435 14.280 589 1HB LEU 78 HB2 LEU 78 5.051 -3.719 12.974 590 2HB LEU 78 HB3 LEU 78 4.130 -4.368 14.323 591 HG LEU 78 HG LEU 78 6.514 -4.612 15.473 592 1HD1 LEU 78 HD11 LEU 78 8.012 -2.733 14.948 593 2HD1 LEU 78 HD12 LEU 78 7.911 -3.907 13.637 594 3HD1 LEU 78 HD13 LEU 78 7.040 -2.369 13.504 595 1HD2 LEU 78 HD21 LEU 78 4.648 -3.260 16.331 596 2HD2 LEU 78 HD22 LEU 78 6.224 -2.503 16.581 597 3HD2 LEU 78 HD23 LEU 78 5.159 -1.916 15.293 598 H LYS 79 H LYS 79 3.297 -6.927 14.335 599 HA LYS 79 HA LYS 79 1.897 -6.892 11.730 600 1HB LYS 79 HB2 LYS 79 2.764 -9.208 12.031 601 2HB LYS 79 HB3 LYS 79 1.904 -9.302 13.584 602 1HG LYS 79 HG2 LYS 79 -0.250 -8.943 12.429 603 2HG LYS 79 HG3 LYS 79 0.601 -8.809 10.876 604 1HD LYS 79 HD2 LYS 79 1.396 -11.148 11.135 605 2HD LYS 79 HD3 LYS 79 0.520 -11.273 12.676 606 1HE LYS 79 HE2 LYS 79 -1.621 -10.821 11.511 607 2HE LYS 79 HE3 LYS 79 -0.760 -10.627 9.978 608 1HZ LYS 79 HZ1 LYS 79 -1.699 -12.825 10.146 609 2HZ LYS 79 HZ2 LYS 79 -0.064 -12.938 10.142 610 3HZ LYS 79 HZ3 LYS 79 -0.908 -13.138 11.540 611 H ASP 80 H ASP 80 0.126 -5.765 12.016 612 HA ASP 80 HA ASP 80 -1.660 -4.746 12.922 613 1HB ASP 80 HB2 ASP 80 -2.432 -7.063 12.655 614 2HB ASP 80 HB3 ASP 80 -1.993 -7.412 14.327 615 H GLY 81 H GLY 81 0.740 -4.110 14.259 616 1HA GLY 81 HA2 GLY 81 0.978 -2.434 15.822 617 2HA GLY 81 HA3 GLY 81 -0.406 -3.026 16.736 618 H GLU 82 H GLU 82 1.606 -5.764 16.264 619 HA GLU 82 HA GLU 82 3.211 -5.128 18.706 620 1HB GLU 82 HB2 GLU 82 2.798 -7.210 19.609 621 2HB GLU 82 HB3 GLU 82 1.223 -6.712 18.991 622 1HG GLU 82 HG2 GLU 82 1.615 -8.184 16.977 623 2HG GLU 82 HG3 GLU 82 3.123 -8.735 17.695 624 H VAL 83 H VAL 83 5.390 -5.957 18.713 625 HA VAL 83 HA VAL 83 6.528 -6.539 16.080 626 HB VAL 83 HB VAL 83 7.737 -5.214 17.758 627 1HG1 VAL 83 HG11 VAL 83 7.142 -6.440 19.831 628 2HG1 VAL 83 HG12 VAL 83 8.135 -7.812 19.290 629 3HG1 VAL 83 HG13 VAL 83 8.888 -6.244 19.627 630 1HG2 VAL 83 HG21 VAL 83 8.940 -6.214 15.926 631 2HG2 VAL 83 HG22 VAL 83 9.920 -6.362 17.399 632 3HG2 VAL 83 HG23 VAL 83 9.065 -7.770 16.779 633 H VAL 84 H VAL 84 6.803 -8.340 15.146 634 HA VAL 84 HA VAL 84 6.338 -10.858 16.658 635 HB VAL 84 HB VAL 84 5.371 -11.787 14.663 636 1HG1 VAL 84 HG11 VAL 84 3.928 -9.207 15.303 637 2HG1 VAL 84 HG12 VAL 84 3.248 -10.735 14.706 638 3HG1 VAL 84 HG13 VAL 84 3.933 -10.657 16.333 639 1HG2 VAL 84 HG21 VAL 84 6.524 -10.419 12.912 640 2HG2 VAL 84 HG22 VAL 84 4.769 -10.448 12.697 641 3HG2 VAL 84 HG23 VAL 84 5.542 -9.014 13.388 642 H GLU 85 H GLU 85 8.630 -9.059 14.581 643 HA GLU 85 HA GLU 85 10.512 -11.212 15.178 644 1HB GLU 85 HB2 GLU 85 9.335 -11.965 13.060 645 2HB GLU 85 HB3 GLU 85 9.969 -10.554 12.248 646 1HG GLU 85 HG2 GLU 85 11.182 -12.551 11.704 647 2HG GLU 85 HG3 GLU 85 12.231 -11.351 12.448 648 H THR 86 H THR 86 12.793 -10.598 14.511 649 HA THR 86 HA THR 86 13.187 -7.710 13.985 650 HB THR 86 HB THR 86 14.638 -9.218 16.188 651 HG1 THR 86 HG1 THR 86 12.474 -8.968 16.778 652 1HG2 THR 86 HG21 THR 86 14.472 -6.251 15.508 653 2HG2 THR 86 HG22 THR 86 15.209 -6.904 16.986 654 3HG2 THR 86 HG23 THR 86 15.908 -7.291 15.412 655 H SER 87 H SER 87 15.237 -7.304 12.940 656 HA SER 87 HA SER 87 17.240 -9.409 12.723 657 1HB SER 87 HB2 SER 87 15.730 -8.343 10.299 658 2HB SER 87 HB3 SER 87 17.324 -9.119 10.184 659 HG SER 87 HG SER 87 15.395 -10.445 11.675 660 H VAL 88 H VAL 88 19.294 -8.464 11.835 661 HA VAL 88 HA VAL 88 19.419 -5.497 12.020 662 HB VAL 88 HB VAL 88 21.259 -7.455 13.439 663 1HG1 VAL 88 HG11 VAL 88 21.135 -4.409 13.506 664 2HG1 VAL 88 HG12 VAL 88 22.157 -5.413 14.556 665 3HG1 VAL 88 HG13 VAL 88 22.439 -5.401 12.816 666 1HG2 VAL 88 HG21 VAL 88 20.332 -6.554 15.563 667 2HG2 VAL 88 HG22 VAL 88 19.123 -5.644 14.638 668 3HG2 VAL 88 HG23 VAL 88 19.110 -7.421 14.640 669 H GLY 89 H GLY 89 20.959 -4.592 10.625 670 1HA GLY 89 HA2 GLY 89 22.683 -4.492 9.110 671 2HA GLY 89 HA3 GLY 89 23.014 -6.208 9.345 672 H PHE 90 H PHE 90 23.311 -5.572 6.882 673 HA PHE 90 HA PHE 90 21.034 -5.324 5.191 674 1HB PHE 90 HB2 PHE 90 23.365 -4.740 4.538 675 2HB PHE 90 HB3 PHE 90 23.831 -6.432 4.653 676 HD1 PHE 90 HD1 PHE 90 23.065 -8.089 2.950 677 HD2 PHE 90 HD2 PHE 90 22.143 -3.888 2.608 678 HE1 PHE 90 HE1 PHE 90 22.401 -8.425 0.584 679 HE2 PHE 90 HE2 PHE 90 21.503 -4.229 0.231 680 HZ PHE 90 HZ PHE 90 21.620 -6.497 -0.779 681 H LYS 91 H LYS 91 19.931 -6.750 3.921 682 HA LYS 91 HA LYS 91 20.298 -9.620 4.166 683 1HB LYS 91 HB2 LYS 91 18.366 -8.200 5.821 684 2HB LYS 91 HB3 LYS 91 17.475 -8.982 4.537 685 1HG LYS 91 HG2 LYS 91 17.551 -10.367 6.494 686 2HG LYS 91 HG3 LYS 91 18.339 -11.144 5.117 687 1HD LYS 91 HD2 LYS 91 19.563 -11.629 7.149 688 2HD LYS 91 HD3 LYS 91 20.551 -10.647 6.076 689 1HE LYS 91 HE2 LYS 91 19.641 -8.611 7.462 690 2HE LYS 91 HE3 LYS 91 19.114 -9.829 8.635 691 1HZ LYS 91 HZ1 LYS 91 21.296 -8.990 9.171 692 2HZ LYS 91 HZ2 LYS 91 21.470 -10.559 8.721 693 3HZ LYS 91 HZ3 LYS 91 21.865 -9.347 7.670 694 HA PRO 92 HA PRO 92 18.915 -8.753 -0.023 695 1HB PRO 92 HB2 PRO 92 18.446 -11.267 -0.998 696 2HB PRO 92 HB3 PRO 92 20.091 -10.644 -0.667 697 1HG PRO 92 HG2 PRO 92 18.374 -12.400 1.110 698 2HG PRO 92 HG3 PRO 92 20.098 -12.619 0.672 699 1HD PRO 92 HD2 PRO 92 19.327 -11.447 3.018 700 2HD PRO 92 HD3 PRO 92 20.786 -10.908 2.137 701 H LYS 93 H LYS 93 16.969 -8.776 -1.306 702 HA LYS 93 HA LYS 93 14.628 -8.327 0.159 703 1HB LYS 93 HB2 LYS 93 13.459 -8.275 -2.024 704 2HB LYS 93 HB3 LYS 93 14.921 -7.310 -2.003 705 1HG LYS 93 HG2 LYS 93 16.120 -9.289 -3.140 706 2HG LYS 93 HG3 LYS 93 14.514 -10.031 -3.309 707 1HD LYS 93 HD2 LYS 93 13.758 -7.969 -4.502 708 2HD LYS 93 HD3 LYS 93 15.433 -7.352 -4.423 709 1HE LYS 93 HE2 LYS 93 16.245 -9.165 -5.801 710 2HE LYS 93 HE3 LYS 93 14.744 -10.085 -5.593 711 1HZ LYS 93 HZ1 LYS 93 14.968 -7.549 -7.094 712 2HZ LYS 93 HZ2 LYS 93 14.818 -9.048 -7.753 713 3HZ LYS 93 HZ3 LYS 93 13.579 -8.437 -6.861 714 H GLU 94 H GLU 94 15.639 -11.377 -1.375 715 HA GLU 94 HA GLU 94 13.066 -12.598 -1.088 716 1HB GLU 94 HB2 GLU 94 15.856 -13.828 -1.282 717 2HB GLU 94 HB3 GLU 94 14.347 -14.752 -1.334 718 1HG GLU 94 HG2 GLU 94 13.630 -13.453 -3.338 719 2HG GLU 94 HG3 GLU 94 15.170 -12.592 -3.324 720 H ALA 95 H ALA 95 15.960 -12.447 1.064 721 HA ALA 95 HA ALA 95 14.840 -14.145 3.069 722 1HB ALA 95 HB1 ALA 95 17.259 -13.659 2.972 723 2HB ALA 95 HB2 ALA 95 16.933 -11.941 3.319 724 3HB ALA 95 HB3 ALA 95 16.580 -13.180 4.538 725 H LEU 96 H LEU 96 14.793 -10.611 2.542 726 HA LEU 96 HA LEU 96 13.389 -9.918 4.909 727 1HB LEU 96 HB2 LEU 96 13.253 -8.599 2.164 728 2HB LEU 96 HB3 LEU 96 12.657 -7.898 3.665 729 HG LEU 96 HG LEU 96 15.576 -8.529 3.111 730 1HD1 LEU 96 HD11 LEU 96 15.882 -6.160 2.823 731 2HD1 LEU 96 HD12 LEU 96 14.600 -6.663 1.724 732 3HD1 LEU 96 HD13 LEU 96 14.185 -5.830 3.236 733 1HD2 LEU 96 HD21 LEU 96 14.199 -7.126 5.431 734 2HD2 LEU 96 HD22 LEU 96 15.118 -8.646 5.504 735 3HD2 LEU 96 HD23 LEU 96 15.954 -7.135 5.147 736 H GLN 97 H GLN 97 12.126 -10.685 1.650 737 HA GLN 97 HA GLN 97 9.437 -10.282 2.491 738 1HB GLN 97 HB2 GLN 97 8.855 -10.589 0.324 739 2HB GLN 97 HB3 GLN 97 10.547 -10.168 0.161 740 1HG GLN 97 HG2 GLN 97 11.016 -12.669 -0.054 741 2HG GLN 97 HG3 GLN 97 9.260 -12.884 -0.170 742 1HE2 GLN 97 HE22 GLN 97 11.755 -10.621 -1.522 743 2HE2 GLN 97 HE21 GLN 97 11.124 -10.615 -3.166 744 H GLU 98 H GLU 98 11.512 -13.144 2.469 745 HA GLU 98 HA GLU 98 9.421 -14.962 3.220 746 1HB GLU 98 HB2 GLU 98 12.440 -15.031 3.487 747 2HB GLU 98 HB3 GLU 98 11.435 -16.309 4.160 748 1HG GLU 98 HG2 GLU 98 11.312 -15.491 1.225 749 2HG GLU 98 HG3 GLU 98 12.370 -16.752 1.848 750 H LEU 99 H LEU 99 11.586 -12.823 5.112 751 HA LEU 99 HA LEU 99 10.812 -13.679 7.682 752 1HB LEU 99 HB2 LEU 99 12.751 -12.087 6.847 753 2HB LEU 99 HB3 LEU 99 11.521 -10.825 6.929 754 HG LEU 99 HG LEU 99 11.122 -11.637 9.323 755 1HD1 LEU 99 HD11 LEU 99 13.868 -12.882 8.811 756 2HD1 LEU 99 HD12 LEU 99 13.157 -12.662 10.414 757 3HD1 LEU 99 HD13 LEU 99 12.390 -13.757 9.256 758 1HD2 LEU 99 HD21 LEU 99 12.237 -9.490 8.729 759 2HD2 LEU 99 HD22 LEU 99 12.943 -10.203 10.186 760 3HD2 LEU 99 HD23 LEU 99 13.795 -10.331 8.633 761 H VAL 100 H VAL 100 9.375 -11.326 5.398 762 HA VAL 100 HA VAL 100 7.160 -10.620 7.079 763 HB VAL 100 HB VAL 100 7.710 -10.473 4.100 764 1HG1 VAL 100 HG11 VAL 100 5.249 -9.430 5.543 765 2HG1 VAL 100 HG12 VAL 100 5.760 -8.947 3.915 766 3HG1 VAL 100 HG13 VAL 100 5.325 -10.621 4.226 767 1HG2 VAL 100 HG21 VAL 100 7.531 -8.291 6.215 768 2HG2 VAL 100 HG22 VAL 100 9.041 -8.993 5.599 769 3HG2 VAL 100 HG23 VAL 100 7.994 -8.108 4.503 770 H ASN 101 H ASN 101 7.635 -13.107 4.564 771 HA ASN 101 HA ASN 101 4.996 -13.978 4.327 772 1HB ASN 101 HB2 ASN 101 6.869 -14.579 2.778 773 2HB ASN 101 HB3 ASN 101 7.502 -15.677 4.014 774 1HD2 ASN 101 HD22 ASN 101 4.895 -15.145 1.682 775 2HD2 ASN 101 HD21 ASN 101 4.241 -16.759 1.767 776 H LYS 102 H LYS 102 7.478 -15.039 6.666 777 HA LYS 102 HA LYS 102 5.905 -17.214 7.684 778 1HB LYS 102 HB2 LYS 102 7.477 -17.336 9.522 779 2HB LYS 102 HB3 LYS 102 8.296 -17.213 7.968 780 1HG LYS 102 HG2 LYS 102 8.763 -14.848 8.358 781 2HG LYS 102 HG3 LYS 102 7.914 -14.894 9.903 782 1HD LYS 102 HD2 LYS 102 10.397 -16.507 9.208 783 2HD LYS 102 HD3 LYS 102 10.431 -14.971 10.068 784 1HE LYS 102 HE2 LYS 102 8.852 -17.351 11.119 785 2HE LYS 102 HE3 LYS 102 10.577 -17.175 11.433 786 1HZ LYS 102 HZ1 LYS 102 9.120 -16.262 13.184 787 2HZ LYS 102 HZ2 LYS 102 10.209 -15.188 12.638 788 3HZ LYS 102 HZ3 LYS 102 8.632 -15.067 12.177 789 H HIS 103 H HIS 103 5.229 -13.920 7.977 790 HA HIS 103 HA HIS 103 3.464 -14.500 10.316 791 1HB HIS 103 HB2 HIS 103 4.901 -11.912 9.632 792 2HB HIS 103 HB3 HIS 103 3.634 -12.064 10.851 793 HD1 HIS 103 HD1 HIS 103 4.241 -13.923 12.911 794 HD2 HIS 103 HD2 HIS 103 7.339 -12.538 10.423 795 HE1 HIS 103 HE1 HIS 103 6.417 -14.525 14.080 796 H LEU 104 H LEU 104 3.579 -13.413 6.982 797 HA LEU 104 HA LEU 104 1.063 -12.087 6.909 798 1HB LEU 104 HB2 LEU 104 2.614 -13.703 4.863 799 2HB LEU 104 HB3 LEU 104 1.009 -13.089 4.500 800 HG LEU 104 HG LEU 104 3.372 -11.340 5.270 801 1HD1 LEU 104 HD11 LEU 104 3.336 -10.675 2.871 802 2HD1 LEU 104 HD12 LEU 104 3.675 -12.400 3.060 803 3HD1 LEU 104 HD13 LEU 104 2.057 -11.865 2.562 804 1HD2 LEU 104 HD21 LEU 104 0.584 -10.600 4.270 805 2HD2 LEU 104 HD22 LEU 104 1.255 -10.239 5.871 806 3HD2 LEU 104 HD23 LEU 104 1.946 -9.471 4.451 Start of MODEL 10 1 1H MET 1 H1 MET 1 1.185 -1.833 1.815 2 2H MET 1 H2 MET 1 -0.464 -1.839 1.769 3 3H MET 1 H3 MET 1 0.416 -2.059 0.401 4 HA MET 1 HA MET 1 -0.495 0.108 0.391 5 1HB MET 1 HB2 MET 1 -0.707 0.345 2.846 6 2HB MET 1 HB3 MET 1 1.035 0.569 2.981 7 1HG MET 1 HG2 MET 1 0.816 2.601 1.486 8 2HG MET 1 HG3 MET 1 -0.932 2.362 1.493 9 1HE MET 1 HE1 MET 1 -1.033 4.963 2.207 10 2HE MET 1 HE2 MET 1 -0.241 5.609 3.662 11 3HE MET 1 HE3 MET 1 0.743 5.043 2.295 12 H ALA 2 H ALA 2 2.685 0.885 1.838 13 HA ALA 2 HA ALA 2 4.191 0.765 -0.616 14 1HB ALA 2 HB1 ALA 2 3.166 3.462 0.405 15 2HB ALA 2 HB2 ALA 2 4.338 3.220 -0.907 16 3HB ALA 2 HB3 ALA 2 2.669 2.690 -1.119 17 H ILE 3 H ILE 3 6.231 2.438 -0.049 18 HA ILE 3 HA ILE 3 7.109 1.903 2.703 19 HB ILE 3 HB ILE 3 8.301 3.569 0.459 20 1HG1 ILE 3 HG12 ILE 3 9.732 1.127 1.436 21 2HG1 ILE 3 HG13 ILE 3 8.211 0.781 0.630 22 1HG2 ILE 3 HG21 ILE 3 10.414 3.523 1.820 23 2HG2 ILE 3 HG22 ILE 3 9.127 4.472 2.565 24 3HG2 ILE 3 HG23 ILE 3 9.489 2.844 3.178 25 1HD1 ILE 3 HD11 ILE 3 8.877 2.040 -1.334 26 2HD1 ILE 3 HD12 ILE 3 10.426 2.488 -0.558 27 3HD1 ILE 3 HD13 ILE 3 10.081 0.789 -0.934 28 H VAL 4 H VAL 4 7.097 3.433 4.320 29 HA VAL 4 HA VAL 4 5.782 6.059 3.905 30 HB VAL 4 HB VAL 4 5.074 3.962 6.006 31 1HG1 VAL 4 HG11 VAL 4 3.835 6.686 5.464 32 2HG1 VAL 4 HG12 VAL 4 3.085 5.430 6.470 33 3HG1 VAL 4 HG13 VAL 4 4.612 6.109 6.967 34 1HG2 VAL 4 HG21 VAL 4 3.496 4.825 3.544 35 2HG2 VAL 4 HG22 VAL 4 4.147 3.206 3.888 36 3HG2 VAL 4 HG23 VAL 4 2.835 3.841 4.865 37 H LYS 5 H LYS 5 6.099 7.368 5.936 38 HA LYS 5 HA LYS 5 8.685 6.831 7.359 39 1HB LYS 5 HB2 LYS 5 7.604 9.384 6.110 40 2HB LYS 5 HB3 LYS 5 8.603 9.425 7.548 41 1HG LYS 5 HG2 LYS 5 10.094 7.701 5.983 42 2HG LYS 5 HG3 LYS 5 9.333 8.698 4.735 43 1HD LYS 5 HD2 LYS 5 11.436 9.745 5.320 44 2HD LYS 5 HD3 LYS 5 10.148 10.738 6.034 45 1HE LYS 5 HE2 LYS 5 10.489 9.149 8.138 46 2HE LYS 5 HE3 LYS 5 12.014 8.737 7.379 47 1HZ LYS 5 HZ1 LYS 5 12.298 10.587 8.930 48 2HZ LYS 5 HZ2 LYS 5 12.591 11.136 7.419 49 3HZ LYS 5 HZ3 LYS 5 11.182 11.486 8.161 50 H ALA 6 H ALA 6 8.577 7.145 9.542 51 HA ALA 6 HA ALA 6 6.076 8.229 10.714 52 1HB ALA 6 HB1 ALA 6 5.701 5.776 10.522 53 2HB ALA 6 HB2 ALA 6 7.211 5.487 11.424 54 3HB ALA 6 HB3 ALA 6 5.836 6.288 12.212 55 H THR 7 H THR 7 6.271 8.515 13.042 56 HA THR 7 HA THR 7 8.980 8.634 14.178 57 HB THR 7 HB THR 7 8.167 10.749 15.360 58 HG1 THR 7 HG1 THR 7 6.556 11.929 14.313 59 1HG2 THR 7 HG21 THR 7 8.574 10.999 12.336 60 2HG2 THR 7 HG22 THR 7 8.848 12.271 13.547 61 3HG2 THR 7 HG23 THR 7 9.869 10.827 13.538 62 H ASP 8 H ASP 8 8.704 8.843 16.631 63 HA ASP 8 HA ASP 8 7.312 6.761 17.697 64 1HB ASP 8 HB2 ASP 8 9.114 8.210 18.779 65 2HB ASP 8 HB3 ASP 8 7.848 9.361 19.184 66 H GLN 9 H GLN 9 6.034 9.951 17.039 67 HA GLN 9 HA GLN 9 3.723 9.955 18.672 68 1HB GLN 9 HB2 GLN 9 4.275 11.301 15.994 69 2HB GLN 9 HB3 GLN 9 2.944 11.713 17.079 70 1HG GLN 9 HG2 GLN 9 4.574 12.350 18.850 71 2HG GLN 9 HG3 GLN 9 5.909 12.000 17.750 72 1HE2 GLN 9 HE22 GLN 9 3.302 14.282 18.499 73 2HE2 GLN 9 HE21 GLN 9 3.795 15.509 17.360 74 H SER 10 H SER 10 4.334 8.429 15.544 75 HA SER 10 HA SER 10 1.463 7.593 15.363 76 1HB SER 10 HB2 SER 10 3.196 8.584 13.071 77 2HB SER 10 HB3 SER 10 1.478 8.155 13.010 78 HG SER 10 HG SER 10 1.809 10.419 13.161 79 H PHE 11 H PHE 11 4.676 6.466 15.394 80 HA PHE 11 HA PHE 11 4.816 4.516 13.467 81 1HB PHE 11 HB2 PHE 11 6.603 5.170 15.060 82 2HB PHE 11 HB3 PHE 11 5.754 4.353 16.365 83 HD1 PHE 11 HD1 PHE 11 7.632 3.908 13.197 84 HD2 PHE 11 HD2 PHE 11 5.855 1.910 16.585 85 HE1 PHE 11 HE1 PHE 11 8.838 1.839 12.606 86 HE2 PHE 11 HE2 PHE 11 7.048 -0.176 15.970 87 HZ PHE 11 HZ PHE 11 8.547 -0.219 13.995 88 H SER 12 H SER 12 3.223 4.148 16.694 89 HA SER 12 HA SER 12 2.537 1.455 16.393 90 1HB SER 12 HB2 SER 12 0.936 3.542 17.913 91 2HB SER 12 HB3 SER 12 1.099 1.814 18.281 92 HG SER 12 HG SER 12 2.443 3.128 19.605 93 H ALA 13 H ALA 13 0.812 4.364 15.274 94 HA ALA 13 HA ALA 13 -1.586 2.956 14.538 95 1HB ALA 13 HB1 ALA 13 -2.162 5.024 13.332 96 2HB ALA 13 HB2 ALA 13 -1.584 5.396 14.967 97 3HB ALA 13 HB3 ALA 13 -0.517 5.646 13.563 98 H GLU 14 H GLU 14 1.366 4.005 12.823 99 HA GLU 14 HA GLU 14 0.507 3.122 10.261 100 1HB GLU 14 HB2 GLU 14 3.293 3.588 11.411 101 2HB GLU 14 HB3 GLU 14 3.034 3.087 9.745 102 1HG GLU 14 HG2 GLU 14 2.043 5.659 11.022 103 2HG GLU 14 HG3 GLU 14 3.346 5.488 9.842 104 H THR 15 H THR 15 2.160 1.387 12.902 105 HA THR 15 HA THR 15 2.564 -0.952 11.272 106 HB THR 15 HB THR 15 3.455 -1.861 13.450 107 HG1 THR 15 HG1 THR 15 3.314 0.826 14.296 108 1HG2 THR 15 HG21 THR 15 4.597 0.721 12.278 109 2HG2 THR 15 HG22 THR 15 5.456 -0.316 13.422 110 3HG2 THR 15 HG23 THR 15 4.999 -0.951 11.835 111 H SER 16 H SER 16 -0.271 0.152 12.468 112 HA SER 16 HA SER 16 -1.212 -2.490 13.374 113 1HB SER 16 HB2 SER 16 -2.437 0.284 13.650 114 2HB SER 16 HB3 SER 16 -3.179 -1.220 14.227 115 HG SER 16 HG SER 16 -0.799 0.030 15.118 116 H GLU 17 H GLU 17 -0.632 -1.972 10.580 117 HA GLU 17 HA GLU 17 -3.322 -2.521 9.428 118 1HB GLU 17 HB2 GLU 17 -1.277 -0.586 8.287 119 2HB GLU 17 HB3 GLU 17 -2.715 -1.182 7.438 120 1HG GLU 17 HG2 GLU 17 -4.113 -0.273 9.362 121 2HG GLU 17 HG3 GLU 17 -2.654 0.549 9.935 122 H GLY 18 H GLY 18 -2.122 -4.666 10.091 123 1HA GLY 18 HA2 GLY 18 -1.882 -6.695 8.922 124 2HA GLY 18 HA3 GLY 18 -1.295 -5.827 7.499 125 H VAL 19 H VAL 19 0.509 -7.268 7.400 126 HA VAL 19 HA VAL 19 2.571 -7.202 9.492 127 HB VAL 19 HB VAL 19 2.710 -8.147 6.588 128 1HG1 VAL 19 HG11 VAL 19 4.792 -9.323 7.334 129 2HG1 VAL 19 HG12 VAL 19 4.967 -7.568 7.419 130 3HG1 VAL 19 HG13 VAL 19 4.677 -8.500 8.903 131 1HG2 VAL 19 HG21 VAL 19 2.426 -9.740 9.178 132 2HG2 VAL 19 HG22 VAL 19 1.176 -9.558 7.928 133 3HG2 VAL 19 HG23 VAL 19 2.665 -10.427 7.557 134 H VAL 20 H VAL 20 4.163 -5.693 9.604 135 HA VAL 20 HA VAL 20 4.531 -3.755 7.402 136 HB VAL 20 HB VAL 20 4.142 -3.040 10.346 137 1HG1 VAL 20 HG11 VAL 20 4.617 -1.294 7.889 138 2HG1 VAL 20 HG12 VAL 20 4.165 -0.681 9.490 139 3HG1 VAL 20 HG13 VAL 20 5.714 -1.496 9.269 140 1HG2 VAL 20 HG21 VAL 20 2.269 -2.780 7.953 141 2HG2 VAL 20 HG22 VAL 20 1.948 -3.510 9.533 142 3HG2 VAL 20 HG23 VAL 20 2.085 -1.761 9.377 143 H LEU 21 H LEU 21 6.717 -3.166 7.215 144 HA LEU 21 HA LEU 21 8.612 -4.546 9.080 145 1HB LEU 21 HB2 LEU 21 8.242 -5.616 6.833 146 2HB LEU 21 HB3 LEU 21 8.978 -4.188 6.088 147 HG LEU 21 HG LEU 21 10.249 -6.136 8.066 148 1HD1 LEU 21 HD11 LEU 21 9.915 -7.012 5.771 149 2HD1 LEU 21 HD12 LEU 21 10.835 -5.637 5.122 150 3HD1 LEU 21 HD13 LEU 21 11.628 -6.837 6.167 151 1HD2 LEU 21 HD21 LEU 21 11.445 -3.649 6.790 152 2HD2 LEU 21 HD22 LEU 21 11.366 -4.082 8.523 153 3HD2 LEU 21 HD23 LEU 21 12.417 -4.984 7.438 154 H ALA 22 H ALA 22 9.332 -2.951 10.325 155 HA ALA 22 HA ALA 22 9.565 -0.217 9.287 156 1HB ALA 22 HB1 ALA 22 10.148 0.280 11.655 157 2HB ALA 22 HB2 ALA 22 8.561 -0.517 11.493 158 3HB ALA 22 HB3 ALA 22 9.981 -1.449 12.031 159 H ASP 23 H ASP 23 11.532 0.851 9.191 160 HA ASP 23 HA ASP 23 14.046 -0.764 9.308 161 1HB ASP 23 HB2 ASP 23 13.484 -0.518 6.994 162 2HB ASP 23 HB3 ASP 23 13.076 1.187 7.201 163 H PHE 24 H PHE 24 14.729 -0.072 11.202 164 HA PHE 24 HA PHE 24 14.681 2.725 12.094 165 1HB PHE 24 HB2 PHE 24 15.748 0.116 13.260 166 2HB PHE 24 HB3 PHE 24 16.070 1.685 13.966 167 HD1 PHE 24 HD1 PHE 24 13.129 -0.406 12.800 168 HD2 PHE 24 HD2 PHE 24 14.613 2.485 15.640 169 HE1 PHE 24 HE1 PHE 24 10.913 -0.314 13.893 170 HE2 PHE 24 HE2 PHE 24 12.385 2.582 16.699 171 HZ PHE 24 HZ PHE 24 10.507 1.227 15.777 172 H TRP 25 H TRP 25 16.067 4.072 11.192 173 HA TRP 25 HA TRP 25 18.784 3.267 10.529 174 1HB TRP 25 HB2 TRP 25 18.508 3.052 8.342 175 2HB TRP 25 HB3 TRP 25 16.787 3.059 8.574 176 HD1 TRP 25 HD1 TRP 25 19.495 4.880 6.847 177 HE1 TRP 25 HE1 TRP 25 18.553 6.920 5.614 178 HE3 TRP 25 HE3 TRP 25 14.967 5.240 9.169 179 HZ2 TRP 25 HZ2 TRP 25 16.321 8.723 5.883 180 HZ3 TRP 25 HZ3 TRP 25 13.494 7.211 8.754 181 HH2 TRP 25 HH2 TRP 25 14.179 8.954 7.110 182 H ALA 26 H ALA 26 19.705 5.508 9.293 183 HA ALA 26 HA ALA 26 18.436 7.917 10.156 184 1HB ALA 26 HB1 ALA 26 19.656 7.471 12.255 185 2HB ALA 26 HB2 ALA 26 21.155 7.196 11.336 186 3HB ALA 26 HB3 ALA 26 20.411 8.815 11.391 187 HA PRO 27 HA PRO 27 20.417 8.652 6.285 188 1HB PRO 27 HB2 PRO 27 20.788 11.539 7.001 189 2HB PRO 27 HB3 PRO 27 20.040 10.793 5.546 190 1HG PRO 27 HG2 PRO 27 18.504 11.851 7.562 191 2HG PRO 27 HG3 PRO 27 18.026 10.346 6.716 192 1HD PRO 27 HD2 PRO 27 19.360 10.639 9.413 193 2HD PRO 27 HD3 PRO 27 18.039 9.543 8.899 194 H TRP 28 H TRP 28 22.285 9.464 9.160 195 HA TRP 28 HA TRP 28 24.726 10.015 7.710 196 1HB TRP 28 HB2 TRP 28 25.855 9.776 9.815 197 2HB TRP 28 HB3 TRP 28 24.412 10.744 10.035 198 HD1 TRP 28 HD1 TRP 28 22.633 9.889 11.725 199 HE1 TRP 28 HE1 TRP 28 22.548 8.042 13.478 200 HE3 TRP 28 HE3 TRP 28 26.717 7.177 10.231 201 HZ2 TRP 28 HZ2 TRP 28 23.978 5.590 14.075 202 HZ3 TRP 28 HZ3 TRP 28 27.304 5.069 11.387 203 HH2 TRP 28 HH2 TRP 28 25.940 4.259 13.303 204 H CYS 29 H CYS 29 22.923 7.142 8.345 205 HA CYS 29 HA CYS 29 24.896 5.205 8.738 206 1HB CYS 29 HB2 CYS 29 22.379 5.050 9.036 207 2HB CYS 29 HB3 CYS 29 22.240 4.957 7.307 208 H GLY 30 H GLY 30 25.913 3.726 7.310 209 1HA GLY 30 HA2 GLY 30 26.051 4.477 4.417 210 2HA GLY 30 HA3 GLY 30 27.261 3.563 5.316 211 HA PRO 31 HA PRO 31 25.476 -0.332 4.391 212 1HB PRO 31 HB2 PRO 31 24.432 -0.807 7.180 213 2HB PRO 31 HB3 PRO 31 25.419 -1.885 6.154 214 1HG PRO 31 HG2 PRO 31 26.569 -0.472 8.160 215 2HG PRO 31 HG3 PRO 31 27.385 -0.599 6.568 216 1HD PRO 31 HD2 PRO 31 25.728 1.697 7.646 217 2HD PRO 31 HD3 PRO 31 27.287 1.741 6.770 218 H CYS 32 H CYS 32 23.187 1.606 6.349 219 HA CYS 32 HA CYS 32 20.775 0.377 5.609 220 1HB CYS 32 HB2 CYS 32 21.160 3.365 5.932 221 2HB CYS 32 HB3 CYS 32 19.701 2.429 6.188 222 H LYS 33 H LYS 33 22.849 2.630 3.756 223 HA LYS 33 HA LYS 33 20.869 3.270 1.778 224 1HB LYS 33 HB2 LYS 33 23.885 3.375 1.433 225 2HB LYS 33 HB3 LYS 33 22.675 4.313 0.571 226 1HG LYS 33 HG2 LYS 33 23.398 4.595 3.522 227 2HG LYS 33 HG3 LYS 33 23.921 5.647 2.216 228 1HD LYS 33 HD2 LYS 33 21.650 6.461 1.864 229 2HD LYS 33 HD3 LYS 33 20.992 5.265 2.985 230 1HE LYS 33 HE2 LYS 33 21.131 7.495 4.052 231 2HE LYS 33 HE3 LYS 33 22.129 6.279 4.879 232 1HZ LYS 33 HZ1 LYS 33 23.182 8.471 4.544 233 2HZ LYS 33 HZ2 LYS 33 24.053 7.207 4.021 234 3HZ LYS 33 HZ3 LYS 33 23.271 8.186 2.926 235 H MET 34 H MET 34 23.014 0.505 2.270 236 HA MET 34 HA MET 34 22.979 -0.400 -0.455 237 1HB MET 34 HB2 MET 34 23.353 -2.076 2.051 238 2HB MET 34 HB3 MET 34 23.821 -2.498 0.405 239 1HG MET 34 HG2 MET 34 25.415 -0.541 0.432 240 2HG MET 34 HG3 MET 34 25.031 -0.313 2.136 241 1HE MET 34 HE1 MET 34 24.836 -3.826 2.705 242 2HE MET 34 HE2 MET 34 26.359 -3.820 3.613 243 3HE MET 34 HE3 MET 34 25.176 -2.514 3.851 244 H ILE 35 H ILE 35 20.990 -1.059 2.458 245 HA ILE 35 HA ILE 35 19.413 -3.003 1.001 246 HB ILE 35 HB ILE 35 20.090 -3.367 3.316 247 1HG1 ILE 35 HG12 ILE 35 17.069 -3.343 3.014 248 2HG1 ILE 35 HG13 ILE 35 18.148 -4.516 2.249 249 1HG2 ILE 35 HG21 ILE 35 18.110 -1.181 4.057 250 2HG2 ILE 35 HG22 ILE 35 18.975 -2.241 5.191 251 3HG2 ILE 35 HG23 ILE 35 19.885 -1.110 4.211 252 1HD1 ILE 35 HD11 ILE 35 18.948 -5.205 4.517 253 2HD1 ILE 35 HD12 ILE 35 17.749 -4.110 5.245 254 3HD1 ILE 35 HD13 ILE 35 17.218 -5.479 4.266 255 H ALA 36 H ALA 36 19.055 0.447 1.740 256 HA ALA 36 HA ALA 36 16.350 0.790 1.551 257 1HB ALA 36 HB1 ALA 36 17.887 2.610 1.982 258 2HB ALA 36 HB2 ALA 36 18.502 2.553 0.317 259 3HB ALA 36 HB3 ALA 36 16.820 3.033 0.629 260 HA PRO 37 HA PRO 37 16.084 0.683 -3.201 261 1HB PRO 37 HB2 PRO 37 18.000 -0.618 -4.703 262 2HB PRO 37 HB3 PRO 37 18.010 1.138 -4.360 263 1HG PRO 37 HG2 PRO 37 19.505 -1.055 -2.896 264 2HG PRO 37 HG3 PRO 37 20.140 0.515 -3.486 265 1HD PRO 37 HD2 PRO 37 19.407 0.191 -0.914 266 2HD PRO 37 HD3 PRO 37 19.033 1.712 -1.770 267 H VAL 38 H VAL 38 17.526 -2.009 -1.385 268 HA VAL 38 HA VAL 38 16.099 -4.037 -2.840 269 HB VAL 38 HB VAL 38 17.120 -4.310 0.007 270 1HG1 VAL 38 HG11 VAL 38 16.658 -6.236 -2.317 271 2HG1 VAL 38 HG12 VAL 38 17.371 -6.688 -0.736 272 3HG1 VAL 38 HG13 VAL 38 15.697 -6.127 -0.837 273 1HG2 VAL 38 HG21 VAL 38 19.033 -3.480 -1.327 274 2HG2 VAL 38 HG22 VAL 38 19.232 -5.180 -0.920 275 3HG2 VAL 38 HG23 VAL 38 18.719 -4.717 -2.562 276 H LEU 39 H LEU 39 15.438 -2.043 0.117 277 HA LEU 39 HA LEU 39 12.904 -3.241 0.627 278 1HB LEU 39 HB2 LEU 39 13.905 -0.438 1.246 279 2HB LEU 39 HB3 LEU 39 12.381 -1.091 1.820 280 HG LEU 39 HG LEU 39 15.112 -2.267 2.452 281 1HD1 LEU 39 HD11 LEU 39 14.790 -0.065 3.491 282 2HD1 LEU 39 HD12 LEU 39 13.250 -0.606 4.196 283 3HD1 LEU 39 HD13 LEU 39 14.783 -1.351 4.707 284 1HD2 LEU 39 HD21 LEU 39 13.916 -3.593 4.175 285 2HD2 LEU 39 HD22 LEU 39 12.364 -2.959 3.586 286 3HD2 LEU 39 HD23 LEU 39 13.363 -4.003 2.553 287 H GLU 40 H GLU 40 13.842 -0.561 -1.597 288 HA GLU 40 HA GLU 40 11.171 -0.076 -2.469 289 1HB GLU 40 HB2 GLU 40 13.779 0.221 -3.993 290 2HB GLU 40 HB3 GLU 40 12.200 0.719 -4.601 291 1HG GLU 40 HG2 GLU 40 11.913 2.219 -2.640 292 2HG GLU 40 HG3 GLU 40 13.521 1.776 -2.066 293 H GLU 41 H GLU 41 13.551 -2.505 -3.624 294 HA GLU 41 HA GLU 41 11.785 -3.610 -5.578 295 1HB GLU 41 HB2 GLU 41 14.165 -4.804 -4.115 296 2HB GLU 41 HB3 GLU 41 13.232 -5.676 -5.335 297 1HG GLU 41 HG2 GLU 41 13.689 -3.891 -6.990 298 2HG GLU 41 HG3 GLU 41 14.680 -3.040 -5.811 299 H LEU 42 H LEU 42 12.239 -4.332 -2.125 300 HA LEU 42 HA LEU 42 10.506 -6.563 -1.976 301 1HB LEU 42 HB2 LEU 42 12.133 -5.821 -0.191 302 2HB LEU 42 HB3 LEU 42 11.073 -4.458 0.158 303 HG LEU 42 HG LEU 42 9.239 -6.068 0.759 304 1HD1 LEU 42 HD11 LEU 42 11.463 -8.134 0.425 305 2HD1 LEU 42 HD12 LEU 42 9.915 -8.429 1.246 306 3HD1 LEU 42 HD13 LEU 42 9.932 -8.047 -0.479 307 1HD2 LEU 42 HD21 LEU 42 11.864 -6.255 2.285 308 2HD2 LEU 42 HD22 LEU 42 10.581 -5.055 2.504 309 3HD2 LEU 42 HD23 LEU 42 10.277 -6.747 2.925 310 H ASP 43 H ASP 43 9.873 -3.039 -1.624 311 HA ASP 43 HA ASP 43 7.116 -3.219 -1.050 312 1HB ASP 43 HB2 ASP 43 8.540 -1.127 -0.954 313 2HB ASP 43 HB3 ASP 43 8.472 -1.066 -2.728 314 H GLN 44 H GLN 44 8.869 -3.075 -4.147 315 HA GLN 44 HA GLN 44 6.492 -3.134 -5.754 316 1HB GLN 44 HB2 GLN 44 9.423 -3.613 -6.375 317 2HB GLN 44 HB3 GLN 44 8.160 -3.582 -7.613 318 1HG GLN 44 HG2 GLN 44 7.574 -1.297 -7.122 319 2HG GLN 44 HG3 GLN 44 8.562 -1.260 -5.664 320 1HE2 GLN 44 HE22 GLN 44 10.869 -1.294 -5.862 321 2HE2 GLN 44 HE21 GLN 44 11.673 -0.759 -7.338 322 H GLU 45 H GLU 45 7.973 -5.641 -3.965 323 HA GLU 45 HA GLU 45 6.948 -7.802 -5.713 324 1HB GLU 45 HB2 GLU 45 8.894 -7.671 -3.385 325 2HB GLU 45 HB3 GLU 45 8.301 -9.202 -4.010 326 1HG GLU 45 HG2 GLU 45 9.566 -7.208 -5.909 327 2HG GLU 45 HG3 GLU 45 10.568 -8.195 -4.849 328 H MET 46 H MET 46 6.490 -6.276 -2.547 329 HA MET 46 HA MET 46 4.355 -8.277 -1.914 330 1HB MET 46 HB2 MET 46 6.289 -6.977 0.037 331 2HB MET 46 HB3 MET 46 5.112 -8.249 0.359 332 1HG MET 46 HG2 MET 46 6.478 -9.590 -1.471 333 2HG MET 46 HG3 MET 46 7.737 -8.406 -1.120 334 1HE MET 46 HE1 MET 46 6.168 -11.825 1.486 335 2HE MET 46 HE2 MET 46 5.054 -10.621 0.783 336 3HE MET 46 HE3 MET 46 6.071 -11.631 -0.280 337 H GLY 47 H GLY 47 4.753 -4.971 -2.511 338 1HA GLY 47 HA2 GLY 47 3.594 -3.661 -0.389 339 2HA GLY 47 HA3 GLY 47 3.467 -3.158 -2.080 340 H ASP 48 H ASP 48 1.870 -5.906 -2.353 341 HA ASP 48 HA ASP 48 -0.780 -4.780 -2.086 342 1HB ASP 48 HB2 ASP 48 -0.244 -6.384 -3.864 343 2HB ASP 48 HB3 ASP 48 0.162 -7.612 -2.660 344 H LYS 49 H LYS 49 1.345 -6.811 -0.139 345 HA LYS 49 HA LYS 49 -0.768 -7.188 1.949 346 1HB LYS 49 HB2 LYS 49 1.763 -8.820 1.381 347 2HB LYS 49 HB3 LYS 49 0.603 -9.123 2.669 348 1HG LYS 49 HG2 LYS 49 0.088 -9.381 -0.315 349 2HG LYS 49 HG3 LYS 49 0.281 -10.691 0.857 350 1HD LYS 49 HD2 LYS 49 -1.761 -9.749 2.083 351 2HD LYS 49 HD3 LYS 49 -2.022 -8.700 0.686 352 1HE LYS 49 HE2 LYS 49 -2.033 -11.747 0.724 353 2HE LYS 49 HE3 LYS 49 -3.428 -10.678 0.561 354 1HZ LYS 49 HZ1 LYS 49 -2.866 -11.425 -1.589 355 2HZ LYS 49 HZ2 LYS 49 -2.366 -9.859 -1.544 356 3HZ LYS 49 HZ3 LYS 49 -1.282 -11.081 -1.425 357 H LEU 50 H LEU 50 2.352 -5.783 1.225 358 HA LEU 50 HA LEU 50 3.024 -5.590 4.095 359 1HB LEU 50 HB2 LEU 50 4.503 -6.783 2.448 360 2HB LEU 50 HB3 LEU 50 4.698 -5.266 1.573 361 HG LEU 50 HG LEU 50 5.863 -4.274 3.521 362 1HD1 LEU 50 HD11 LEU 50 5.506 -7.040 4.762 363 2HD1 LEU 50 HD12 LEU 50 6.576 -5.769 5.383 364 3HD1 LEU 50 HD13 LEU 50 4.837 -5.517 5.383 365 1HD2 LEU 50 HD21 LEU 50 7.147 -5.366 1.775 366 2HD2 LEU 50 HD22 LEU 50 7.912 -5.621 3.351 367 3HD2 LEU 50 HD23 LEU 50 6.984 -6.936 2.588 368 H LYS 51 H LYS 51 4.008 -3.675 4.905 369 HA LYS 51 HA LYS 51 3.910 -1.194 3.314 370 1HB LYS 51 HB2 LYS 51 1.919 -1.124 4.856 371 2HB LYS 51 HB3 LYS 51 2.983 -1.485 6.216 372 1HG LYS 51 HG2 LYS 51 4.263 0.678 5.620 373 2HG LYS 51 HG3 LYS 51 2.936 1.048 4.523 374 1HD LYS 51 HD2 LYS 51 2.711 0.581 7.533 375 2HD LYS 51 HD3 LYS 51 2.804 2.160 6.745 376 1HE LYS 51 HE2 LYS 51 0.697 1.662 5.506 377 2HE LYS 51 HE3 LYS 51 0.569 0.114 6.365 378 1HZ LYS 51 HZ1 LYS 51 0.466 1.346 8.431 379 2HZ LYS 51 HZ2 LYS 51 0.607 2.788 7.650 380 3HZ LYS 51 HZ3 LYS 51 -0.739 1.866 7.433 381 H ILE 52 H ILE 52 5.813 0.053 3.846 382 HA ILE 52 HA ILE 52 7.733 -1.308 5.680 383 HB ILE 52 HB ILE 52 8.281 0.012 3.008 384 1HG1 ILE 52 HG12 ILE 52 8.675 -2.867 3.947 385 2HG1 ILE 52 HG13 ILE 52 7.413 -2.303 2.852 386 1HG2 ILE 52 HG21 ILE 52 10.052 0.607 4.645 387 2HG2 ILE 52 HG22 ILE 52 10.299 -1.121 4.995 388 3HG2 ILE 52 HG23 ILE 52 10.665 -0.451 3.390 389 1HD1 ILE 52 HD11 ILE 52 10.377 -2.437 2.265 390 2HD1 ILE 52 HD12 ILE 52 9.050 -3.312 1.490 391 3HD1 ILE 52 HD13 ILE 52 9.210 -1.564 1.245 392 H VAL 53 H VAL 53 8.719 0.136 7.158 393 HA VAL 53 HA VAL 53 7.721 2.968 7.023 394 HB VAL 53 HB VAL 53 7.498 1.024 9.351 395 1HG1 VAL 53 HG11 VAL 53 6.443 2.927 10.576 396 2HG1 VAL 53 HG12 VAL 53 8.146 3.241 10.242 397 3HG1 VAL 53 HG13 VAL 53 6.898 4.020 9.246 398 1HG2 VAL 53 HG21 VAL 53 5.689 0.833 7.678 399 2HG2 VAL 53 HG22 VAL 53 5.092 1.533 9.187 400 3HG2 VAL 53 HG23 VAL 53 5.392 2.576 7.786 401 H LYS 54 H LYS 54 9.614 4.035 6.589 402 HA LYS 54 HA LYS 54 12.112 3.248 7.949 403 1HB LYS 54 HB2 LYS 54 11.508 5.762 6.336 404 2HB LYS 54 HB3 LYS 54 13.105 5.180 6.836 405 1HG LYS 54 HG2 LYS 54 12.727 3.088 5.497 406 2HG LYS 54 HG3 LYS 54 11.236 3.794 4.863 407 1HD LYS 54 HD2 LYS 54 14.032 4.967 4.535 408 2HD LYS 54 HD3 LYS 54 13.152 4.030 3.318 409 1HE LYS 54 HE2 LYS 54 11.345 5.755 3.307 410 2HE LYS 54 HE3 LYS 54 12.266 6.714 4.474 411 1HZ LYS 54 HZ1 LYS 54 14.035 6.909 2.820 412 2HZ LYS 54 HZ2 LYS 54 13.186 6.023 1.740 413 3HZ LYS 54 HZ3 LYS 54 12.636 7.479 2.212 414 H ILE 55 H ILE 55 12.874 4.156 9.863 415 HA ILE 55 HA ILE 55 11.582 6.607 10.861 416 HB ILE 55 HB ILE 55 10.237 4.941 11.856 417 1HG1 ILE 55 HG12 ILE 55 12.167 5.885 14.009 418 2HG1 ILE 55 HG13 ILE 55 11.049 6.958 13.164 419 1HG2 ILE 55 HG21 ILE 55 11.710 2.948 11.724 420 2HG2 ILE 55 HG22 ILE 55 12.700 3.608 13.044 421 3HG2 ILE 55 HG23 ILE 55 11.014 3.154 13.330 422 1HD1 ILE 55 HD11 ILE 55 10.241 4.582 14.884 423 2HD1 ILE 55 HD12 ILE 55 10.082 6.296 15.290 424 3HD1 ILE 55 HD13 ILE 55 9.125 5.623 13.964 425 H ASP 56 H ASP 56 12.991 8.005 11.537 426 HA ASP 56 HA ASP 56 15.834 7.407 11.307 427 1HB ASP 56 HB2 ASP 56 14.999 9.391 10.254 428 2HB ASP 56 HB3 ASP 56 14.291 9.965 11.770 429 H VAL 57 H VAL 57 16.739 6.446 13.097 430 HA VAL 57 HA VAL 57 15.577 6.550 15.674 431 HB VAL 57 HB VAL 57 17.555 5.402 16.468 432 1HG1 VAL 57 HG11 VAL 57 15.795 4.226 15.137 433 2HG1 VAL 57 HG12 VAL 57 16.830 4.350 13.706 434 3HG1 VAL 57 HG13 VAL 57 17.380 3.424 15.119 435 1HG2 VAL 57 HG21 VAL 57 19.367 6.592 15.273 436 2HG2 VAL 57 HG22 VAL 57 19.465 4.846 15.036 437 3HG2 VAL 57 HG23 VAL 57 18.832 5.875 13.741 438 H ASP 58 H ASP 58 17.779 8.848 14.146 439 HA ASP 58 HA ASP 58 18.959 9.838 16.581 440 1HB ASP 58 HB2 ASP 58 19.927 10.179 14.322 441 2HB ASP 58 HB3 ASP 58 18.565 11.231 13.910 442 H GLU 59 H GLU 59 15.842 10.249 15.134 443 HA GLU 59 HA GLU 59 15.159 12.521 16.957 444 1HB GLU 59 HB2 GLU 59 14.099 11.622 14.249 445 2HB GLU 59 HB3 GLU 59 13.222 12.764 15.259 446 1HG GLU 59 HG2 GLU 59 16.080 13.242 14.318 447 2HG GLU 59 HG3 GLU 59 14.651 13.781 13.448 448 H ASN 60 H ASN 60 15.042 9.225 16.932 449 HA ASN 60 HA ASN 60 12.376 9.058 18.242 450 1HB ASN 60 HB2 ASN 60 13.228 7.379 15.849 451 2HB ASN 60 HB3 ASN 60 11.836 7.050 16.873 452 1HD2 ASN 60 HD22 ASN 60 13.032 9.051 14.283 453 2HD2 ASN 60 HD21 ASN 60 11.543 9.943 14.018 454 H GLN 61 H GLN 61 14.847 9.125 19.471 455 HA GLN 61 HA GLN 61 16.079 6.651 19.997 456 1HB GLN 61 HB2 GLN 61 15.666 9.116 21.735 457 2HB GLN 61 HB3 GLN 61 16.677 7.757 22.221 458 1HG GLN 61 HG2 GLN 61 17.134 9.354 19.663 459 2HG GLN 61 HG3 GLN 61 17.924 9.695 21.198 460 1HE2 GLN 61 HE22 GLN 61 17.923 7.641 18.385 461 2HE2 GLN 61 HE21 GLN 61 19.293 6.638 18.852 462 H GLU 62 H GLU 62 13.032 8.008 21.292 463 HA GLU 62 HA GLU 62 12.731 6.140 23.413 464 1HB GLU 62 HB2 GLU 62 10.645 7.671 21.793 465 2HB GLU 62 HB3 GLU 62 10.303 6.788 23.281 466 1HG GLU 62 HG2 GLU 62 12.174 9.183 23.023 467 2HG GLU 62 HG3 GLU 62 10.538 9.215 23.661 468 H THR 63 H THR 63 11.497 6.047 19.984 469 HA THR 63 HA THR 63 10.177 3.559 20.327 470 HB THR 63 HB THR 63 11.267 4.406 17.695 471 HG1 THR 63 HG1 THR 63 9.290 5.863 19.114 472 1HG2 THR 63 HG21 THR 63 8.456 3.592 18.513 473 2HG2 THR 63 HG22 THR 63 9.026 3.901 16.852 474 3HG2 THR 63 HG23 THR 63 9.679 2.542 17.768 475 H ALA 64 H ALA 64 13.465 4.457 19.159 476 HA ALA 64 HA ALA 64 14.364 1.830 18.545 477 1HB ALA 64 HB1 ALA 64 16.647 2.823 18.932 478 2HB ALA 64 HB2 ALA 64 15.624 3.868 17.928 479 3HB ALA 64 HB3 ALA 64 15.890 4.251 19.643 480 H GLY 65 H GLY 65 14.503 3.655 21.650 481 1HA GLY 65 HA2 GLY 65 15.667 1.642 23.240 482 2HA GLY 65 HA3 GLY 65 14.617 2.958 23.801 483 H LYS 66 H LYS 66 12.309 2.038 22.131 484 HA LYS 66 HA LYS 66 10.960 0.454 23.975 485 1HB LYS 66 HB2 LYS 66 10.074 1.926 21.996 486 2HB LYS 66 HB3 LYS 66 10.345 0.515 20.997 487 1HG LYS 66 HG2 LYS 66 8.038 0.597 21.588 488 2HG LYS 66 HG3 LYS 66 8.757 -0.804 22.379 489 1HD LYS 66 HD2 LYS 66 8.830 0.421 24.529 490 2HD LYS 66 HD3 LYS 66 8.218 1.886 23.725 491 1HE LYS 66 HE2 LYS 66 6.140 0.662 23.111 492 2HE LYS 66 HE3 LYS 66 6.756 -0.791 23.908 493 1HZ LYS 66 HZ1 LYS 66 6.732 0.430 26.007 494 2HZ LYS 66 HZ2 LYS 66 6.165 1.775 25.269 495 3HZ LYS 66 HZ3 LYS 66 5.248 0.432 25.338 496 H TYR 67 H TYR 67 13.011 -0.571 21.261 497 HA TYR 67 HA TYR 67 12.544 -3.413 22.074 498 1HB TYR 67 HB2 TYR 67 13.502 -2.694 19.338 499 2HB TYR 67 HB3 TYR 67 12.584 -4.093 19.865 500 HD1 TYR 67 HD1 TYR 67 12.486 -0.817 18.383 501 HD2 TYR 67 HD2 TYR 67 10.075 -3.644 20.578 502 HE1 TYR 67 HE1 TYR 67 10.503 0.465 17.813 503 HE2 TYR 67 HE2 TYR 67 8.033 -2.383 19.947 504 HH TYR 67 HH TYR 67 8.151 0.628 17.999 505 H GLY 68 H GLY 68 14.688 -1.155 22.747 506 1HA GLY 68 HA2 GLY 68 16.896 -1.105 23.273 507 2HA GLY 68 HA3 GLY 68 16.910 -2.872 23.151 508 H VAL 69 H VAL 69 16.075 -0.721 20.414 509 HA VAL 69 HA VAL 69 18.135 -1.828 18.698 510 HB VAL 69 HB VAL 69 16.433 0.679 18.374 511 1HG1 VAL 69 HG11 VAL 69 16.888 0.372 15.943 512 2HG1 VAL 69 HG12 VAL 69 18.345 0.742 16.866 513 3HG1 VAL 69 HG13 VAL 69 18.034 -0.925 16.346 514 1HG2 VAL 69 HG21 VAL 69 15.895 -2.163 17.439 515 2HG2 VAL 69 HG22 VAL 69 14.935 -1.192 18.574 516 3HG2 VAL 69 HG23 VAL 69 15.002 -0.730 16.880 517 H MET 70 H MET 70 20.227 -1.250 18.717 518 HA MET 70 HA MET 70 21.065 1.407 19.760 519 1HB MET 70 HB2 MET 70 21.125 -0.515 21.464 520 2HB MET 70 HB3 MET 70 22.404 -1.228 20.475 521 1HG MET 70 HG2 MET 70 23.819 0.757 20.880 522 2HG MET 70 HG3 MET 70 22.477 1.567 21.687 523 1HE MET 70 HE1 MET 70 24.936 -1.965 23.434 524 2HE MET 70 HE2 MET 70 23.818 -2.217 22.079 525 3HE MET 70 HE3 MET 70 25.248 -1.177 21.873 526 H SER 71 H SER 71 20.985 -0.499 17.111 527 HA SER 71 HA SER 71 23.367 0.625 15.902 528 1HB SER 71 HB2 SER 71 22.719 -2.362 15.787 529 2HB SER 71 HB3 SER 71 24.043 -1.544 14.942 530 HG SER 71 HG SER 71 24.736 -2.603 16.854 531 H ILE 72 H ILE 72 23.130 0.378 13.466 532 HA ILE 72 HA ILE 72 20.451 -0.274 12.519 533 HB ILE 72 HB ILE 72 20.297 1.841 11.238 534 1HG1 ILE 72 HG12 ILE 72 22.446 2.949 13.096 535 2HG1 ILE 72 HG13 ILE 72 22.717 2.518 11.406 536 1HG2 ILE 72 HG21 ILE 72 19.060 1.410 13.397 537 2HG2 ILE 72 HG22 ILE 72 20.294 2.371 14.233 538 3HG2 ILE 72 HG23 ILE 72 19.263 3.113 12.995 539 1HD1 ILE 72 HD11 ILE 72 22.346 4.904 11.562 540 2HD1 ILE 72 HD12 ILE 72 20.995 4.144 10.704 541 3HD1 ILE 72 HD13 ILE 72 20.798 4.668 12.392 542 HA PRO 73 HA PRO 73 19.552 0.163 10.096 543 1HB PRO 73 HB2 PRO 73 19.040 -1.811 8.269 544 2HB PRO 73 HB3 PRO 73 19.734 -0.227 7.833 545 1HG PRO 73 HG2 PRO 73 21.179 -2.847 8.282 546 2HG PRO 73 HG3 PRO 73 21.421 -1.661 6.962 547 1HD PRO 73 HD2 PRO 73 23.036 -1.756 9.175 548 2HD PRO 73 HD3 PRO 73 22.635 -0.213 8.370 549 H THR 74 H THR 74 17.907 -0.756 11.241 550 HA THR 74 HA THR 74 18.140 -3.620 12.031 551 HB THR 74 HB THR 74 17.576 -1.257 13.861 552 HG1 THR 74 HG1 THR 74 19.548 -1.632 14.406 553 1HG2 THR 74 HG21 THR 74 17.137 -4.241 14.321 554 2HG2 THR 74 HG22 THR 74 17.311 -3.066 15.638 555 3HG2 THR 74 HG23 THR 74 15.966 -2.921 14.501 556 H LEU 75 H LEU 75 16.192 -4.702 12.016 557 HA LEU 75 HA LEU 75 14.013 -3.261 10.593 558 1HB LEU 75 HB2 LEU 75 15.021 -6.096 10.206 559 2HB LEU 75 HB3 LEU 75 13.650 -5.374 9.381 560 HG LEU 75 HG LEU 75 16.570 -4.529 9.104 561 1HD1 LEU 75 HD11 LEU 75 16.030 -6.698 8.049 562 2HD1 LEU 75 HD12 LEU 75 14.708 -5.935 7.141 563 3HD1 LEU 75 HD13 LEU 75 16.392 -5.461 6.840 564 1HD2 LEU 75 HD21 LEU 75 15.791 -3.123 7.196 565 2HD2 LEU 75 HD22 LEU 75 14.111 -3.416 7.695 566 3HD2 LEU 75 HD23 LEU 75 15.231 -2.555 8.766 567 H LEU 76 H LEU 76 12.071 -3.421 11.601 568 HA LEU 76 HA LEU 76 11.703 -5.537 13.721 569 1HB LEU 76 HB2 LEU 76 10.902 -2.602 13.681 570 2HB LEU 76 HB3 LEU 76 9.952 -3.780 14.554 571 HG LEU 76 HG LEU 76 11.517 -2.476 15.980 572 1HD1 LEU 76 HD11 LEU 76 10.657 -4.628 16.736 573 2HD1 LEU 76 HD12 LEU 76 11.964 -5.496 15.912 574 3HD1 LEU 76 HD13 LEU 76 12.326 -4.424 17.279 575 1HD2 LEU 76 HD21 LEU 76 13.866 -2.874 16.003 576 2HD2 LEU 76 HD22 LEU 76 13.752 -4.101 14.730 577 3HD2 LEU 76 HD23 LEU 76 13.423 -2.401 14.351 578 H VAL 77 H VAL 77 10.176 -6.916 13.080 579 HA VAL 77 HA VAL 77 8.391 -6.103 10.835 580 HB VAL 77 HB VAL 77 8.631 -8.913 11.945 581 1HG1 VAL 77 HG11 VAL 77 7.800 -9.475 9.676 582 2HG1 VAL 77 HG12 VAL 77 6.704 -8.358 10.503 583 3HG1 VAL 77 HG13 VAL 77 7.799 -7.757 9.241 584 1HG2 VAL 77 HG21 VAL 77 10.931 -8.416 11.265 585 2HG2 VAL 77 HG22 VAL 77 10.162 -9.477 10.089 586 3HG2 VAL 77 HG23 VAL 77 10.360 -7.750 9.717 587 H LEU 78 H LEU 78 6.390 -5.528 11.501 588 HA LEU 78 HA LEU 78 5.474 -6.392 14.192 589 1HB LEU 78 HB2 LEU 78 4.907 -3.736 12.792 590 2HB LEU 78 HB3 LEU 78 4.074 -4.339 14.215 591 HG LEU 78 HG LEU 78 6.601 -4.539 15.149 592 1HD1 LEU 78 HD11 LEU 78 6.746 -2.188 13.232 593 2HD1 LEU 78 HD12 LEU 78 7.912 -2.554 14.519 594 3HD1 LEU 78 HD13 LEU 78 7.708 -3.665 13.162 595 1HD2 LEU 78 HD21 LEU 78 5.061 -1.929 15.198 596 2HD2 LEU 78 HD22 LEU 78 4.733 -3.330 16.232 597 3HD2 LEU 78 HD23 LEU 78 6.277 -2.484 16.363 598 H LYS 79 H LYS 79 3.207 -6.832 14.287 599 HA LYS 79 HA LYS 79 1.793 -6.951 11.698 600 1HB LYS 79 HB2 LYS 79 2.745 -9.193 11.980 601 2HB LYS 79 HB3 LYS 79 2.005 -9.335 13.590 602 1HG LYS 79 HG2 LYS 79 -0.230 -9.179 12.585 603 2HG LYS 79 HG3 LYS 79 0.494 -8.891 10.983 604 1HD LYS 79 HD2 LYS 79 1.492 -11.144 11.024 605 2HD LYS 79 HD3 LYS 79 0.775 -11.447 12.624 606 1HE LYS 79 HE2 LYS 79 -1.486 -11.182 11.695 607 2HE LYS 79 HE3 LYS 79 -0.822 -10.722 10.122 608 1HZ LYS 79 HZ1 LYS 79 0.112 -12.927 9.910 609 2HZ LYS 79 HZ2 LYS 79 -0.488 -13.383 11.374 610 3HZ LYS 79 HZ3 LYS 79 -1.504 -13.030 10.147 611 H ASP 80 H ASP 80 0.008 -5.851 11.989 612 HA ASP 80 HA ASP 80 -1.744 -4.803 12.909 613 1HB ASP 80 HB2 ASP 80 -2.543 -7.125 12.768 614 2HB ASP 80 HB3 ASP 80 -2.046 -7.406 14.437 615 H GLY 81 H GLY 81 0.663 -4.057 14.100 616 1HA GLY 81 HA2 GLY 81 0.864 -2.266 15.538 617 2HA GLY 81 HA3 GLY 81 -0.441 -2.871 16.550 618 H GLU 82 H GLU 82 1.589 -5.559 16.237 619 HA GLU 82 HA GLU 82 3.326 -4.686 18.495 620 1HB GLU 82 HB2 GLU 82 2.873 -6.685 19.640 621 2HB GLU 82 HB3 GLU 82 1.311 -6.018 19.139 622 1HG GLU 82 HG2 GLU 82 1.197 -7.656 17.287 623 2HG GLU 82 HG3 GLU 82 2.747 -8.342 17.775 624 H VAL 83 H VAL 83 5.400 -5.739 18.620 625 HA VAL 83 HA VAL 83 6.610 -6.374 16.079 626 HB VAL 83 HB VAL 83 7.664 -6.894 18.880 627 1HG1 VAL 83 HG11 VAL 83 9.888 -6.834 17.748 628 2HG1 VAL 83 HG12 VAL 83 8.899 -8.165 17.155 629 3HG1 VAL 83 HG13 VAL 83 9.084 -6.699 16.169 630 1HG2 VAL 83 HG21 VAL 83 7.190 -4.484 18.583 631 2HG2 VAL 83 HG22 VAL 83 8.926 -4.791 18.560 632 3HG2 VAL 83 HG23 VAL 83 8.071 -4.489 17.038 633 H VAL 84 H VAL 84 6.743 -8.147 15.043 634 HA VAL 84 HA VAL 84 5.890 -10.679 16.314 635 HB VAL 84 HB VAL 84 4.360 -9.498 14.632 636 1HG1 VAL 84 HG11 VAL 84 4.759 -10.057 12.238 637 2HG1 VAL 84 HG12 VAL 84 5.874 -8.860 12.890 638 3HG1 VAL 84 HG13 VAL 84 6.412 -10.533 12.647 639 1HG2 VAL 84 HG21 VAL 84 5.096 -12.398 14.231 640 2HG2 VAL 84 HG22 VAL 84 3.938 -11.718 15.393 641 3HG2 VAL 84 HG23 VAL 84 3.599 -11.604 13.661 642 H GLU 85 H GLU 85 8.500 -8.978 14.521 643 HA GLU 85 HA GLU 85 10.237 -11.091 15.383 644 1HB GLU 85 HB2 GLU 85 9.332 -12.128 13.297 645 2HB GLU 85 HB3 GLU 85 9.922 -10.766 12.359 646 1HG GLU 85 HG2 GLU 85 11.281 -12.814 12.172 647 2HG GLU 85 HG3 GLU 85 12.213 -11.447 12.749 648 H THR 86 H THR 86 12.595 -10.538 14.699 649 HA THR 86 HA THR 86 12.999 -7.667 14.057 650 HB THR 86 HB THR 86 14.408 -9.137 16.324 651 HG1 THR 86 HG1 THR 86 12.238 -8.804 16.850 652 1HG2 THR 86 HG21 THR 86 15.030 -6.810 17.044 653 2HG2 THR 86 HG22 THR 86 15.747 -7.279 15.500 654 3HG2 THR 86 HG23 THR 86 14.340 -6.196 15.526 655 H SER 87 H SER 87 15.047 -7.285 13.015 656 HA SER 87 HA SER 87 17.019 -9.430 12.780 657 1HB SER 87 HB2 SER 87 15.591 -8.236 10.363 658 2HB SER 87 HB3 SER 87 17.147 -9.080 10.267 659 HG SER 87 HG SER 87 15.085 -10.350 11.647 660 H VAL 88 H VAL 88 19.113 -8.508 12.022 661 HA VAL 88 HA VAL 88 19.290 -5.544 12.177 662 HB VAL 88 HB VAL 88 21.063 -7.505 13.675 663 1HG1 VAL 88 HG11 VAL 88 20.993 -4.456 13.677 664 2HG1 VAL 88 HG12 VAL 88 21.967 -5.453 14.778 665 3HG1 VAL 88 HG13 VAL 88 22.297 -5.485 13.047 666 1HG2 VAL 88 HG21 VAL 88 18.932 -5.634 14.783 667 2HG2 VAL 88 HG22 VAL 88 18.893 -7.413 14.816 668 3HG2 VAL 88 HG23 VAL 88 20.103 -6.545 15.756 669 H GLY 89 H GLY 89 20.895 -4.687 10.833 670 1HA GLY 89 HA2 GLY 89 22.651 -4.647 9.341 671 2HA GLY 89 HA3 GLY 89 22.903 -6.381 9.556 672 H PHE 90 H PHE 90 23.223 -5.933 7.120 673 HA PHE 90 HA PHE 90 20.979 -5.522 5.402 674 1HB PHE 90 HB2 PHE 90 23.367 -5.195 4.775 675 2HB PHE 90 HB3 PHE 90 23.636 -6.928 4.898 676 HD1 PHE 90 HD1 PHE 90 22.151 -4.214 2.890 677 HD2 PHE 90 HD2 PHE 90 22.773 -8.475 3.163 678 HE1 PHE 90 HE1 PHE 90 21.439 -4.476 0.522 679 HE2 PHE 90 HE2 PHE 90 22.072 -8.727 0.798 680 HZ PHE 90 HZ PHE 90 21.390 -6.730 -0.523 681 H LYS 91 H LYS 91 19.781 -7.061 4.181 682 HA LYS 91 HA LYS 91 20.200 -9.921 4.566 683 1HB LYS 91 HB2 LYS 91 17.802 -8.508 5.635 684 2HB LYS 91 HB3 LYS 91 17.456 -9.870 4.561 685 1HG LYS 91 HG2 LYS 91 18.933 -11.342 5.869 686 2HG LYS 91 HG3 LYS 91 19.280 -10.008 6.997 687 1HD LYS 91 HD2 LYS 91 16.883 -9.898 7.590 688 2HD LYS 91 HD3 LYS 91 16.548 -11.221 6.440 689 1HE LYS 91 HE2 LYS 91 18.098 -12.705 7.710 690 2HE LYS 91 HE3 LYS 91 18.413 -11.401 8.859 691 1HZ LYS 91 HZ1 LYS 91 16.773 -12.968 9.683 692 2HZ LYS 91 HZ2 LYS 91 16.097 -11.495 9.541 693 3HZ LYS 91 HZ3 LYS 91 15.770 -12.675 8.434 694 HA PRO 92 HA PRO 92 19.526 -9.200 0.219 695 1HB PRO 92 HB2 PRO 92 19.053 -11.777 -0.696 696 2HB PRO 92 HB3 PRO 92 20.677 -11.108 -0.321 697 1HG PRO 92 HG2 PRO 92 18.917 -12.852 1.395 698 2HG PRO 92 HG3 PRO 92 20.685 -12.962 1.150 699 1HD PRO 92 HD2 PRO 92 19.585 -11.779 3.361 700 2HD PRO 92 HD3 PRO 92 21.099 -11.176 2.628 701 H LYS 93 H LYS 93 17.902 -9.323 -1.374 702 HA LYS 93 HA LYS 93 15.358 -8.579 -0.673 703 1HB LYS 93 HB2 LYS 93 16.578 -8.330 -2.858 704 2HB LYS 93 HB3 LYS 93 16.317 -10.036 -3.186 705 1HG LYS 93 HG2 LYS 93 13.932 -9.733 -3.270 706 2HG LYS 93 HG3 LYS 93 14.054 -8.042 -2.749 707 1HD LYS 93 HD2 LYS 93 15.035 -7.348 -4.741 708 2HD LYS 93 HD3 LYS 93 15.554 -8.973 -5.232 709 1HE LYS 93 HE2 LYS 93 12.627 -8.368 -4.825 710 2HE LYS 93 HE3 LYS 93 13.403 -7.946 -6.365 711 1HZ LYS 93 HZ1 LYS 93 12.287 -10.151 -6.271 712 2HZ LYS 93 HZ2 LYS 93 13.851 -10.214 -6.770 713 3HZ LYS 93 HZ3 LYS 93 13.465 -10.707 -5.256 714 H GLU 94 H GLU 94 16.340 -11.859 -1.690 715 HA GLU 94 HA GLU 94 13.693 -12.902 -1.448 716 1HB GLU 94 HB2 GLU 94 16.332 -14.398 -1.552 717 2HB GLU 94 HB3 GLU 94 14.730 -15.083 -1.843 718 1HG GLU 94 HG2 GLU 94 16.154 -12.973 -3.532 719 2HG GLU 94 HG3 GLU 94 15.867 -14.647 -3.965 720 H ALA 95 H ALA 95 16.435 -12.761 0.870 721 HA ALA 95 HA ALA 95 15.174 -14.406 2.850 722 1HB ALA 95 HB1 ALA 95 16.769 -13.382 4.430 723 2HB ALA 95 HB2 ALA 95 17.584 -13.929 2.957 724 3HB ALA 95 HB3 ALA 95 17.240 -12.194 3.211 725 H LEU 96 H LEU 96 15.058 -10.915 2.087 726 HA LEU 96 HA LEU 96 13.467 -10.164 4.319 727 1HB LEU 96 HB2 LEU 96 13.667 -8.986 1.536 728 2HB LEU 96 HB3 LEU 96 12.761 -8.246 2.847 729 HG LEU 96 HG LEU 96 15.752 -8.804 3.009 730 1HD1 LEU 96 HD11 LEU 96 14.336 -6.195 2.335 731 2HD1 LEU 96 HD12 LEU 96 16.089 -6.446 2.510 732 3HD1 LEU 96 HD13 LEU 96 15.221 -7.224 1.191 733 1HD2 LEU 96 HD21 LEU 96 13.914 -7.082 4.725 734 2HD2 LEU 96 HD22 LEU 96 14.705 -8.597 5.217 735 3HD2 LEU 96 HD23 LEU 96 15.682 -7.173 4.870 736 H GLN 97 H GLN 97 12.485 -11.178 1.003 737 HA GLN 97 HA GLN 97 9.693 -11.067 1.543 738 1HB GLN 97 HB2 GLN 97 11.399 -12.747 -0.326 739 2HB GLN 97 HB3 GLN 97 9.695 -13.142 -0.159 740 1HG GLN 97 HG2 GLN 97 8.935 -11.224 -1.157 741 2HG GLN 97 HG3 GLN 97 10.386 -10.288 -0.732 742 1HE2 GLN 97 HE22 GLN 97 12.415 -10.813 -1.806 743 2HE2 GLN 97 HE21 GLN 97 12.444 -11.565 -3.391 744 H GLU 98 H GLU 98 12.051 -13.678 2.172 745 HA GLU 98 HA GLU 98 10.088 -15.534 3.084 746 1HB GLU 98 HB2 GLU 98 13.076 -15.305 3.550 747 2HB GLU 98 HB3 GLU 98 12.131 -16.576 4.314 748 1HG GLU 98 HG2 GLU 98 12.175 -16.128 1.300 749 2HG GLU 98 HG3 GLU 98 13.270 -17.212 2.148 750 H LEU 99 H LEU 99 11.953 -13.036 4.829 751 HA LEU 99 HA LEU 99 11.079 -13.657 7.436 752 1HB LEU 99 HB2 LEU 99 13.000 -12.255 6.927 753 2HB LEU 99 HB3 LEU 99 11.995 -11.106 6.053 754 HG LEU 99 HG LEU 99 10.831 -10.484 8.095 755 1HD1 LEU 99 HD11 LEU 99 11.829 -11.210 10.307 756 2HD1 LEU 99 HD12 LEU 99 11.001 -12.511 9.442 757 3HD1 LEU 99 HD13 LEU 99 12.777 -12.429 9.426 758 1HD2 LEU 99 HD21 LEU 99 12.733 -9.255 9.111 759 2HD2 LEU 99 HD22 LEU 99 13.870 -10.326 8.263 760 3HD2 LEU 99 HD23 LEU 99 12.809 -9.244 7.339 761 H VAL 100 H VAL 100 9.655 -11.456 4.915 762 HA VAL 100 HA VAL 100 7.402 -10.674 6.468 763 HB VAL 100 HB VAL 100 7.735 -10.998 3.462 764 1HG1 VAL 100 HG11 VAL 100 5.886 -9.315 3.279 765 2HG1 VAL 100 HG12 VAL 100 5.361 -10.865 3.934 766 3HG1 VAL 100 HG13 VAL 100 5.604 -9.486 5.025 767 1HG2 VAL 100 HG21 VAL 100 9.306 -9.325 4.667 768 2HG2 VAL 100 HG22 VAL 100 8.371 -8.757 3.301 769 3HG2 VAL 100 HG23 VAL 100 7.854 -8.367 4.970 770 H ASN 101 H ASN 101 7.987 -13.435 4.304 771 HA ASN 101 HA ASN 101 5.383 -14.440 4.159 772 1HB ASN 101 HB2 ASN 101 7.443 -15.064 2.757 773 2HB ASN 101 HB3 ASN 101 7.874 -16.176 4.059 774 1HD2 ASN 101 HD22 ASN 101 5.663 -15.505 1.408 775 2HD2 ASN 101 HD21 ASN 101 4.832 -17.037 1.443 776 H LYS 102 H LYS 102 7.778 -14.872 6.730 777 HA LYS 102 HA LYS 102 6.645 -17.065 8.118 778 1HB LYS 102 HB2 LYS 102 7.933 -14.550 9.258 779 2HB LYS 102 HB3 LYS 102 7.604 -16.016 10.171 780 1HG LYS 102 HG2 LYS 102 9.155 -17.269 8.652 781 2HG LYS 102 HG3 LYS 102 9.564 -15.723 7.877 782 1HD LYS 102 HD2 LYS 102 10.288 -14.806 10.064 783 2HD LYS 102 HD3 LYS 102 9.969 -16.364 10.828 784 1HE LYS 102 HE2 LYS 102 11.945 -15.899 8.542 785 2HE LYS 102 HE3 LYS 102 12.382 -15.945 10.251 786 1HZ LYS 102 HZ1 LYS 102 12.777 -18.071 9.217 787 2HZ LYS 102 HZ2 LYS 102 11.606 -18.243 10.332 788 3HZ LYS 102 HZ3 LYS 102 11.228 -18.218 8.739 789 H HIS 103 H HIS 103 5.374 -13.797 7.749 790 HA HIS 103 HA HIS 103 3.455 -14.269 9.988 791 1HB HIS 103 HB2 HIS 103 4.576 -11.637 8.979 792 2HB HIS 103 HB3 HIS 103 3.605 -11.902 10.429 793 HD1 HIS 103 HD1 HIS 103 4.983 -13.809 12.216 794 HD2 HIS 103 HD2 HIS 103 7.131 -11.587 9.363 795 HE1 HIS 103 HE1 HIS 103 7.422 -13.863 12.949 796 H LEU 104 H LEU 104 3.559 -13.905 6.588 797 HA LEU 104 HA LEU 104 1.111 -12.503 6.146 798 1HB LEU 104 HB2 LEU 104 2.417 -14.746 4.550 799 2HB LEU 104 HB3 LEU 104 1.013 -13.835 4.020 800 HG LEU 104 HG LEU 104 3.795 -12.696 4.485 801 1HD1 LEU 104 HD11 LEU 104 3.554 -14.099 2.460 802 2HD1 LEU 104 HD12 LEU 104 2.184 -13.101 1.931 803 3HD1 LEU 104 HD13 LEU 104 3.807 -12.394 2.052 804 1HD2 LEU 104 HD21 LEU 104 1.234 -11.311 3.589 805 2HD2 LEU 104 HD22 LEU 104 2.208 -10.942 5.031 806 3HD2 LEU 104 HD23 LEU 104 2.860 -10.612 3.429 Start of MODEL 11 1 1H MET 1 H1 MET 1 -0.022 0.208 -2.296 2 2H MET 1 H2 MET 1 0.306 -1.300 -1.745 3 3H MET 1 H3 MET 1 -1.068 -0.528 -1.264 4 HA MET 1 HA MET 1 0.189 1.115 -0.091 5 1HB MET 1 HB2 MET 1 -0.502 -0.999 1.048 6 2HB MET 1 HB3 MET 1 1.059 -1.710 0.661 7 1HG MET 1 HG2 MET 1 0.878 -0.889 2.976 8 2HG MET 1 HG3 MET 1 2.209 -0.170 2.089 9 1HE MET 1 HE1 MET 1 -1.720 0.747 2.231 10 2HE MET 1 HE2 MET 1 -1.197 0.352 3.884 11 3HE MET 1 HE3 MET 1 -1.643 2.020 3.464 12 H ALA 2 H ALA 2 2.477 1.591 0.877 13 HA ALA 2 HA ALA 2 4.634 1.125 -1.088 14 1HB ALA 2 HB1 ALA 2 3.574 3.882 -0.326 15 2HB ALA 2 HB2 ALA 2 4.968 3.543 -1.373 16 3HB ALA 2 HB3 ALA 2 3.342 3.092 -1.905 17 H ILE 3 H ILE 3 6.611 2.578 -0.220 18 HA ILE 3 HA ILE 3 7.108 1.949 2.582 19 HB ILE 3 HB ILE 3 8.620 3.641 0.554 20 1HG1 ILE 3 HG12 ILE 3 9.769 1.020 1.452 21 2HG1 ILE 3 HG13 ILE 3 8.340 0.881 0.447 22 1HG2 ILE 3 HG21 ILE 3 9.346 4.321 2.790 23 2HG2 ILE 3 HG22 ILE 3 9.555 2.629 3.279 24 3HG2 ILE 3 HG23 ILE 3 10.615 3.350 2.050 25 1HD1 ILE 3 HD11 ILE 3 10.811 2.486 -0.305 26 2HD1 ILE 3 HD12 ILE 3 10.395 0.863 -0.889 27 3HD1 ILE 3 HD13 ILE 3 9.347 2.242 -1.299 28 H VAL 4 H VAL 4 7.220 3.478 4.252 29 HA VAL 4 HA VAL 4 6.025 6.173 3.850 30 HB VAL 4 HB VAL 4 5.395 4.202 6.085 31 1HG1 VAL 4 HG11 VAL 4 3.443 5.677 6.547 32 2HG1 VAL 4 HG12 VAL 4 4.975 6.469 6.822 33 3HG1 VAL 4 HG13 VAL 4 4.053 6.829 5.339 34 1HG2 VAL 4 HG21 VAL 4 4.394 3.233 4.097 35 2HG2 VAL 4 HG22 VAL 4 3.108 3.974 5.037 36 3HG2 VAL 4 HG23 VAL 4 3.734 4.809 3.601 37 H LYS 5 H LYS 5 6.580 7.554 5.800 38 HA LYS 5 HA LYS 5 9.060 6.717 7.210 39 1HB LYS 5 HB2 LYS 5 8.503 9.369 5.853 40 2HB LYS 5 HB3 LYS 5 9.195 9.395 7.461 41 1HG LYS 5 HG2 LYS 5 11.136 9.393 6.416 42 2HG LYS 5 HG3 LYS 5 10.938 7.658 6.454 43 1HD LYS 5 HD2 LYS 5 10.405 9.561 4.134 44 2HD LYS 5 HD3 LYS 5 11.730 8.399 4.277 45 1HE LYS 5 HE2 LYS 5 10.041 6.534 4.253 46 2HE LYS 5 HE3 LYS 5 8.771 7.738 4.024 47 1HZ LYS 5 HZ1 LYS 5 9.437 6.826 1.888 48 2HZ LYS 5 HZ2 LYS 5 9.823 8.403 1.940 49 3HZ LYS 5 HZ3 LYS 5 10.992 7.278 2.108 50 H ALA 6 H ALA 6 8.824 7.002 9.478 51 HA ALA 6 HA ALA 6 6.384 8.393 10.455 52 1HB ALA 6 HB1 ALA 6 7.149 5.536 11.194 53 2HB ALA 6 HB2 ALA 6 5.795 6.464 11.868 54 3HB ALA 6 HB3 ALA 6 5.774 6.000 10.160 55 H THR 7 H THR 7 6.393 8.497 12.860 56 HA THR 7 HA THR 7 9.053 8.549 14.132 57 HB THR 7 HB THR 7 8.198 10.647 15.306 58 HG1 THR 7 HG1 THR 7 6.637 11.851 14.212 59 1HG2 THR 7 HG21 THR 7 8.735 10.940 12.306 60 2HG2 THR 7 HG22 THR 7 8.957 12.196 13.546 61 3HG2 THR 7 HG23 THR 7 9.975 10.752 13.561 62 H ASP 8 H ASP 8 8.707 8.678 16.556 63 HA ASP 8 HA ASP 8 7.244 6.578 17.497 64 1HB ASP 8 HB2 ASP 8 9.077 7.887 18.672 65 2HB ASP 8 HB3 ASP 8 7.867 9.089 19.098 66 H GLN 9 H GLN 9 6.075 9.833 16.983 67 HA GLN 9 HA GLN 9 3.739 9.851 18.570 68 1HB GLN 9 HB2 GLN 9 4.351 11.235 15.923 69 2HB GLN 9 HB3 GLN 9 3.012 11.651 16.999 70 1HG GLN 9 HG2 GLN 9 4.630 12.220 18.805 71 2HG GLN 9 HG3 GLN 9 5.974 11.867 17.714 72 1HE2 GLN 9 HE22 GLN 9 3.418 14.191 18.492 73 2HE2 GLN 9 HE21 GLN 9 3.941 15.429 17.379 74 H SER 10 H SER 10 4.355 8.377 15.419 75 HA SER 10 HA SER 10 1.483 7.558 15.206 76 1HB SER 10 HB2 SER 10 3.240 8.578 12.943 77 2HB SER 10 HB3 SER 10 1.523 8.148 12.856 78 HG SER 10 HG SER 10 1.849 10.410 13.042 79 H PHE 11 H PHE 11 4.723 6.462 15.194 80 HA PHE 11 HA PHE 11 4.834 4.509 13.271 81 1HB PHE 11 HB2 PHE 11 6.661 5.182 14.790 82 2HB PHE 11 HB3 PHE 11 5.859 4.391 16.139 83 HD1 PHE 11 HD1 PHE 11 7.582 3.864 12.884 84 HD2 PHE 11 HD2 PHE 11 6.045 1.979 16.449 85 HE1 PHE 11 HE1 PHE 11 8.803 1.796 12.315 86 HE2 PHE 11 HE2 PHE 11 7.259 -0.102 15.860 87 HZ PHE 11 HZ PHE 11 8.654 -0.198 13.821 88 H SER 12 H SER 12 3.327 4.129 16.546 89 HA SER 12 HA SER 12 2.635 1.431 16.253 90 1HB SER 12 HB2 SER 12 1.080 3.529 17.804 91 2HB SER 12 HB3 SER 12 1.208 1.795 18.155 92 HG SER 12 HG SER 12 2.592 3.110 19.463 93 H ALA 13 H ALA 13 0.877 4.352 15.208 94 HA ALA 13 HA ALA 13 -1.529 2.971 14.487 95 1HB ALA 13 HB1 ALA 13 -2.114 5.045 13.309 96 2HB ALA 13 HB2 ALA 13 -1.490 5.407 14.931 97 3HB ALA 13 HB3 ALA 13 -0.460 5.653 13.500 98 H GLU 14 H GLU 14 1.410 3.986 12.722 99 HA GLU 14 HA GLU 14 0.511 3.084 10.179 100 1HB GLU 14 HB2 GLU 14 3.327 3.499 11.280 101 2HB GLU 14 HB3 GLU 14 3.015 3.013 9.619 102 1HG GLU 14 HG2 GLU 14 2.138 5.608 10.931 103 2HG GLU 14 HG3 GLU 14 3.396 5.399 9.711 104 H THR 15 H THR 15 2.378 1.406 12.747 105 HA THR 15 HA THR 15 2.656 -0.983 11.193 106 HB THR 15 HB THR 15 3.616 -1.869 13.332 107 HG1 THR 15 HG1 THR 15 3.441 0.811 14.202 108 1HG2 THR 15 HG21 THR 15 5.615 -0.356 13.285 109 2HG2 THR 15 HG22 THR 15 5.118 -0.929 11.691 110 3HG2 THR 15 HG23 THR 15 4.743 0.731 12.195 111 H SER 16 H SER 16 -0.074 0.174 12.756 112 HA SER 16 HA SER 16 -0.980 -2.363 13.747 113 1HB SER 16 HB2 SER 16 -2.431 0.223 13.096 114 2HB SER 16 HB3 SER 16 -3.206 -1.171 13.863 115 HG SER 16 HG SER 16 -0.964 0.264 14.912 116 H GLU 17 H GLU 17 -0.886 -0.998 10.567 117 HA GLU 17 HA GLU 17 -3.268 -2.437 9.698 118 1HB GLU 17 HB2 GLU 17 -1.347 -0.648 8.161 119 2HB GLU 17 HB3 GLU 17 -2.832 -1.363 7.505 120 1HG GLU 17 HG2 GLU 17 -4.116 -0.238 9.378 121 2HG GLU 17 HG3 GLU 17 -2.636 0.632 9.795 122 H GLY 18 H GLY 18 -2.200 -4.529 10.434 123 1HA GLY 18 HA2 GLY 18 -2.018 -6.661 9.496 124 2HA GLY 18 HA3 GLY 18 -1.565 -5.951 7.940 125 H VAL 19 H VAL 19 0.259 -7.300 7.702 126 HA VAL 19 HA VAL 19 2.456 -7.173 9.644 127 HB VAL 19 HB VAL 19 2.455 -8.213 6.780 128 1HG1 VAL 19 HG11 VAL 19 4.758 -7.546 7.479 129 2HG1 VAL 19 HG12 VAL 19 4.560 -8.460 8.984 130 3HG1 VAL 19 HG13 VAL 19 4.608 -9.302 7.423 131 1HG2 VAL 19 HG21 VAL 19 1.047 -9.609 8.259 132 2HG2 VAL 19 HG22 VAL 19 2.553 -10.448 7.873 133 3HG2 VAL 19 HG23 VAL 19 2.358 -9.684 9.461 134 H VAL 20 H VAL 20 4.103 -5.740 9.569 135 HA VAL 20 HA VAL 20 4.361 -3.821 7.342 136 HB VAL 20 HB VAL 20 4.075 -3.095 10.300 137 1HG1 VAL 20 HG11 VAL 20 4.143 -0.722 9.444 138 2HG1 VAL 20 HG12 VAL 20 5.670 -1.581 9.249 139 3HG1 VAL 20 HG13 VAL 20 4.601 -1.354 7.853 140 1HG2 VAL 20 HG21 VAL 20 2.045 -1.738 9.351 141 2HG2 VAL 20 HG22 VAL 20 2.189 -2.754 7.925 142 3HG2 VAL 20 HG23 VAL 20 1.856 -3.483 9.505 143 H LEU 21 H LEU 21 6.563 -3.140 7.159 144 HA LEU 21 HA LEU 21 8.501 -4.603 8.912 145 1HB LEU 21 HB2 LEU 21 8.060 -5.629 6.685 146 2HB LEU 21 HB3 LEU 21 8.717 -4.175 5.916 147 HG LEU 21 HG LEU 21 10.169 -6.079 7.807 148 1HD1 LEU 21 HD11 LEU 21 11.385 -6.817 5.842 149 2HD1 LEU 21 HD12 LEU 21 9.655 -6.998 5.560 150 3HD1 LEU 21 HD13 LEU 21 10.523 -5.640 4.815 151 1HD2 LEU 21 HD21 LEU 21 11.293 -4.015 8.141 152 2HD2 LEU 21 HD22 LEU 21 12.269 -4.900 6.979 153 3HD2 LEU 21 HD23 LEU 21 11.216 -3.594 6.407 154 H ALA 22 H ALA 22 9.244 -3.039 10.189 155 HA ALA 22 HA ALA 22 9.472 -0.289 9.224 156 1HB ALA 22 HB1 ALA 22 10.005 -1.603 11.908 157 2HB ALA 22 HB2 ALA 22 10.157 0.136 11.585 158 3HB ALA 22 HB3 ALA 22 8.564 -0.655 11.455 159 H ASP 23 H ASP 23 11.457 0.802 9.155 160 HA ASP 23 HA ASP 23 13.975 -0.818 9.140 161 1HB ASP 23 HB2 ASP 23 13.463 -0.503 6.847 162 2HB ASP 23 HB3 ASP 23 12.914 1.149 7.105 163 H PHE 24 H PHE 24 14.722 -0.125 11.070 164 HA PHE 24 HA PHE 24 14.630 2.667 11.961 165 1HB PHE 24 HB2 PHE 24 15.836 0.111 13.101 166 2HB PHE 24 HB3 PHE 24 16.106 1.701 13.794 167 HD1 PHE 24 HD1 PHE 24 13.282 -0.598 12.767 168 HD2 PHE 24 HD2 PHE 24 14.591 2.573 15.381 169 HE1 PHE 24 HE1 PHE 24 11.067 -0.580 13.877 170 HE2 PHE 24 HE2 PHE 24 12.375 2.589 16.468 171 HZ PHE 24 HZ PHE 24 10.581 1.060 15.666 172 H TRP 25 H TRP 25 15.988 4.081 11.119 173 HA TRP 25 HA TRP 25 18.700 3.382 10.347 174 1HB TRP 25 HB2 TRP 25 18.372 3.275 8.150 175 2HB TRP 25 HB3 TRP 25 16.660 3.216 8.428 176 HD1 TRP 25 HD1 TRP 25 19.300 5.278 6.805 177 HE1 TRP 25 HE1 TRP 25 18.264 7.339 5.699 178 HE3 TRP 25 HE3 TRP 25 14.780 5.263 9.148 179 HZ2 TRP 25 HZ2 TRP 25 15.879 8.946 5.985 180 HZ3 TRP 25 HZ3 TRP 25 13.172 7.152 8.807 181 HH2 TRP 25 HH2 TRP 25 13.716 8.980 7.224 182 H ALA 26 H ALA 26 19.547 5.695 9.220 183 HA ALA 26 HA ALA 26 18.204 8.026 10.170 184 1HB ALA 26 HB1 ALA 26 20.933 7.337 11.348 185 2HB ALA 26 HB2 ALA 26 20.164 8.945 11.433 186 3HB ALA 26 HB3 ALA 26 19.420 7.573 12.257 187 HA PRO 27 HA PRO 27 20.213 9.130 6.387 188 1HB PRO 27 HB2 PRO 27 20.536 11.932 7.422 189 2HB PRO 27 HB3 PRO 27 19.848 11.352 5.865 190 1HG PRO 27 HG2 PRO 27 18.219 12.154 7.911 191 2HG PRO 27 HG3 PRO 27 17.808 10.722 6.914 192 1HD PRO 27 HD2 PRO 27 19.065 10.790 9.664 193 2HD PRO 27 HD3 PRO 27 17.778 9.726 9.017 194 H TRP 28 H TRP 28 22.015 9.734 9.366 195 HA TRP 28 HA TRP 28 24.478 10.407 8.008 196 1HB TRP 28 HB2 TRP 28 25.566 10.063 10.119 197 2HB TRP 28 HB3 TRP 28 24.107 11.000 10.355 198 HD1 TRP 28 HD1 TRP 28 22.315 10.049 11.972 199 HE1 TRP 28 HE1 TRP 28 22.219 8.117 13.631 200 HE3 TRP 28 HE3 TRP 28 26.441 7.441 10.407 201 HZ2 TRP 28 HZ2 TRP 28 23.661 5.653 14.131 202 HZ3 TRP 28 HZ3 TRP 28 27.028 5.284 11.468 203 HH2 TRP 28 HH2 TRP 28 25.644 4.375 13.324 204 H CYS 29 H CYS 29 22.720 7.471 8.418 205 HA CYS 29 HA CYS 29 24.734 5.566 8.800 206 1HB CYS 29 HB2 CYS 29 22.194 5.366 9.020 207 2HB CYS 29 HB3 CYS 29 22.129 5.308 7.286 208 H GLY 30 H GLY 30 25.764 4.112 7.341 209 1HA GLY 30 HA2 GLY 30 26.034 5.014 4.509 210 2HA GLY 30 HA3 GLY 30 27.165 3.989 5.393 211 HA PRO 31 HA PRO 31 25.282 0.274 3.993 212 1HB PRO 31 HB2 PRO 31 24.368 -0.467 6.775 213 2HB PRO 31 HB3 PRO 31 25.219 -1.475 5.566 214 1HG PRO 31 HG2 PRO 31 26.600 -0.357 7.607 215 2HG PRO 31 HG3 PRO 31 27.277 -0.320 5.947 216 1HD PRO 31 HD2 PRO 31 25.846 1.881 7.442 217 2HD PRO 31 HD3 PRO 31 27.315 1.973 6.425 218 H CYS 32 H CYS 32 23.106 2.087 6.192 219 HA CYS 32 HA CYS 32 20.650 0.952 5.459 220 1HB CYS 32 HB2 CYS 32 21.122 3.894 5.939 221 2HB CYS 32 HB3 CYS 32 19.624 2.998 6.107 222 H LYS 33 H LYS 33 22.714 3.255 3.661 223 HA LYS 33 HA LYS 33 20.712 4.021 1.748 224 1HB LYS 33 HB2 LYS 33 23.737 4.094 1.425 225 2HB LYS 33 HB3 LYS 33 22.560 5.058 0.548 226 1HG LYS 33 HG2 LYS 33 23.118 5.281 3.543 227 2HG LYS 33 HG3 LYS 33 23.822 6.301 2.296 228 1HD LYS 33 HD2 LYS 33 21.686 7.282 1.750 229 2HD LYS 33 HD3 LYS 33 20.811 6.106 2.734 230 1HE LYS 33 HE2 LYS 33 21.008 8.355 3.824 231 2HE LYS 33 HE3 LYS 33 21.640 7.015 4.789 232 1HZ LYS 33 HZ1 LYS 33 23.829 7.655 4.322 233 2HZ LYS 33 HZ2 LYS 33 23.390 8.761 3.159 234 3HZ LYS 33 HZ3 LYS 33 23.051 9.015 4.747 235 H MET 34 H MET 34 22.976 1.280 2.000 236 HA MET 34 HA MET 34 22.628 0.636 -0.803 237 1HB MET 34 HB2 MET 34 24.385 -0.751 -0.632 238 2HB MET 34 HB3 MET 34 24.744 0.366 0.680 239 1HG MET 34 HG2 MET 34 23.661 -1.396 2.227 240 2HG MET 34 HG3 MET 34 23.741 -2.482 0.842 241 1HE MET 34 HE1 MET 34 26.581 -3.621 3.375 242 2HE MET 34 HE2 MET 34 24.961 -2.967 3.712 243 3HE MET 34 HE3 MET 34 25.185 -4.178 2.427 244 H ILE 35 H ILE 35 21.304 -0.480 2.294 245 HA ILE 35 HA ILE 35 19.758 -2.553 0.981 246 HB ILE 35 HB ILE 35 20.432 -2.806 3.301 247 1HG1 ILE 35 HG12 ILE 35 17.402 -2.805 3.118 248 2HG1 ILE 35 HG13 ILE 35 18.441 -3.994 2.320 249 1HG2 ILE 35 HG21 ILE 35 19.337 -1.593 5.123 250 2HG2 ILE 35 HG22 ILE 35 20.222 -0.521 4.050 251 3HG2 ILE 35 HG23 ILE 35 18.444 -0.602 3.945 252 1HD1 ILE 35 HD11 ILE 35 18.261 -3.544 5.319 253 2HD1 ILE 35 HD12 ILE 35 17.582 -4.895 4.395 254 3HD1 ILE 35 HD13 ILE 35 19.340 -4.700 4.497 255 H ALA 36 H ALA 36 19.287 0.933 1.431 256 HA ALA 36 HA ALA 36 16.555 1.113 1.293 257 1HB ALA 36 HB1 ALA 36 18.018 3.051 1.539 258 2HB ALA 36 HB2 ALA 36 18.521 2.921 -0.160 259 3HB ALA 36 HB3 ALA 36 16.838 3.300 0.239 260 HA PRO 37 HA PRO 37 16.237 0.580 -3.429 261 1HB PRO 37 HB2 PRO 37 18.201 -0.789 -4.817 262 2HB PRO 37 HB3 PRO 37 18.104 0.994 -4.680 263 1HG PRO 37 HG2 PRO 37 19.756 -0.918 -3.009 264 2HG PRO 37 HG3 PRO 37 20.279 0.614 -3.781 265 1HD PRO 37 HD2 PRO 37 19.611 0.549 -1.175 266 2HD PRO 37 HD3 PRO 37 19.103 1.922 -2.191 267 H VAL 38 H VAL 38 17.830 -1.856 -1.400 268 HA VAL 38 HA VAL 38 16.521 -4.115 -2.593 269 HB VAL 38 HB VAL 38 17.705 -3.847 0.196 270 1HG1 VAL 38 HG11 VAL 38 16.305 -5.843 -0.032 271 2HG1 VAL 38 HG12 VAL 38 17.213 -6.311 -1.498 272 3HG1 VAL 38 HG13 VAL 38 18.011 -6.267 0.093 273 1HG2 VAL 38 HG21 VAL 38 19.022 -4.738 -2.405 274 2HG2 VAL 38 HG22 VAL 38 19.437 -3.288 -1.468 275 3HG2 VAL 38 HG23 VAL 38 19.740 -4.884 -0.788 276 H LEU 39 H LEU 39 15.725 -1.864 0.145 277 HA LEU 39 HA LEU 39 13.227 -3.085 0.772 278 1HB LEU 39 HB2 LEU 39 14.088 -0.176 1.037 279 2HB LEU 39 HB3 LEU 39 12.603 -0.841 1.690 280 HG LEU 39 HG LEU 39 15.398 -1.714 2.509 281 1HD1 LEU 39 HD11 LEU 39 14.853 0.591 3.213 282 2HD1 LEU 39 HD12 LEU 39 13.357 0.011 3.976 283 3HD1 LEU 39 HD13 LEU 39 14.943 -0.510 4.592 284 1HD2 LEU 39 HD21 LEU 39 12.663 -2.472 3.634 285 2HD2 LEU 39 HD22 LEU 39 13.812 -3.555 2.816 286 3HD2 LEU 39 HD23 LEU 39 14.225 -2.863 4.385 287 H GLU 40 H GLU 40 14.091 -0.578 -1.693 288 HA GLU 40 HA GLU 40 11.396 -0.220 -2.543 289 1HB GLU 40 HB2 GLU 40 14.002 0.127 -4.067 290 2HB GLU 40 HB3 GLU 40 12.413 0.530 -4.721 291 1HG GLU 40 HG2 GLU 40 12.017 2.095 -2.836 292 2HG GLU 40 HG3 GLU 40 13.625 1.748 -2.205 293 H GLU 41 H GLU 41 13.853 -2.630 -3.587 294 HA GLU 41 HA GLU 41 12.146 -3.873 -5.511 295 1HB GLU 41 HB2 GLU 41 14.513 -4.927 -3.926 296 2HB GLU 41 HB3 GLU 41 13.616 -5.903 -5.097 297 1HG GLU 41 HG2 GLU 41 14.073 -4.244 -6.870 298 2HG GLU 41 HG3 GLU 41 15.024 -3.282 -5.745 299 H LEU 42 H LEU 42 12.549 -4.369 -2.006 300 HA LEU 42 HA LEU 42 10.799 -6.557 -1.696 301 1HB LEU 42 HB2 LEU 42 12.376 -5.157 0.004 302 2HB LEU 42 HB3 LEU 42 10.881 -4.333 0.358 303 HG LEU 42 HG LEU 42 11.105 -5.983 1.983 304 1HD1 LEU 42 HD11 LEU 42 9.250 -7.517 1.727 305 2HD1 LEU 42 HD12 LEU 42 8.813 -5.987 0.943 306 3HD1 LEU 42 HD13 LEU 42 9.308 -7.378 -0.045 307 1HD2 LEU 42 HD21 LEU 42 12.880 -7.268 0.910 308 2HD2 LEU 42 HD22 LEU 42 11.610 -8.347 1.507 309 3HD2 LEU 42 HD23 LEU 42 11.714 -7.978 -0.226 310 H ASP 43 H ASP 43 10.142 -3.023 -1.607 311 HA ASP 43 HA ASP 43 7.380 -3.132 -1.132 312 1HB ASP 43 HB2 ASP 43 8.848 -1.066 -1.129 313 2HB ASP 43 HB3 ASP 43 8.810 -1.108 -2.903 314 H GLN 44 H GLN 44 9.191 -3.292 -4.185 315 HA GLN 44 HA GLN 44 6.834 -3.302 -5.832 316 1HB GLN 44 HB2 GLN 44 9.756 -3.908 -6.371 317 2HB GLN 44 HB3 GLN 44 8.520 -3.918 -7.637 318 1HG GLN 44 HG2 GLN 44 7.985 -1.596 -7.297 319 2HG GLN 44 HG3 GLN 44 8.939 -1.498 -5.819 320 1HE2 GLN 44 HE22 GLN 44 11.251 -1.610 -5.959 321 2HE2 GLN 44 HE21 GLN 44 12.103 -1.178 -7.443 322 H GLU 45 H GLU 45 8.205 -5.783 -3.900 323 HA GLU 45 HA GLU 45 6.995 -7.948 -5.527 324 1HB GLU 45 HB2 GLU 45 9.044 -7.896 -3.276 325 2HB GLU 45 HB3 GLU 45 8.241 -9.379 -3.837 326 1HG GLU 45 HG2 GLU 45 8.968 -8.740 -6.213 327 2HG GLU 45 HG3 GLU 45 10.011 -7.539 -5.481 328 H MET 46 H MET 46 6.758 -6.337 -2.368 329 HA MET 46 HA MET 46 4.473 -8.157 -1.710 330 1HB MET 46 HB2 MET 46 6.426 -6.803 0.172 331 2HB MET 46 HB3 MET 46 5.170 -7.964 0.604 332 1HG MET 46 HG2 MET 46 7.644 -8.489 -1.079 333 2HG MET 46 HG3 MET 46 7.364 -9.024 0.570 334 1HE MET 46 HE1 MET 46 4.622 -10.307 0.769 335 2HE MET 46 HE2 MET 46 4.923 -11.975 0.226 336 3HE MET 46 HE3 MET 46 6.123 -11.153 1.247 337 H GLY 47 H GLY 47 5.023 -4.899 -2.498 338 1HA GLY 47 HA2 GLY 47 3.625 -3.500 -0.529 339 2HA GLY 47 HA3 GLY 47 3.826 -3.001 -2.213 340 H ASP 48 H ASP 48 2.165 -5.835 -2.433 341 HA ASP 48 HA ASP 48 -0.457 -4.601 -2.728 342 1HB ASP 48 HB2 ASP 48 0.270 -6.402 -4.252 343 2HB ASP 48 HB3 ASP 48 0.423 -7.510 -2.885 344 H LYS 49 H LYS 49 1.362 -6.385 -0.304 345 HA LYS 49 HA LYS 49 -1.035 -6.623 1.484 346 1HB LYS 49 HB2 LYS 49 1.369 -8.475 1.210 347 2HB LYS 49 HB3 LYS 49 0.015 -8.729 2.292 348 1HG LYS 49 HG2 LYS 49 -0.445 -8.628 -0.711 349 2HG LYS 49 HG3 LYS 49 0.266 -10.037 0.032 350 1HD LYS 49 HD2 LYS 49 -2.083 -10.414 -0.226 351 2HD LYS 49 HD3 LYS 49 -1.649 -10.386 1.471 352 1HE LYS 49 HE2 LYS 49 -3.788 -9.334 1.122 353 2HE LYS 49 HE3 LYS 49 -2.643 -8.143 1.732 354 1HZ LYS 49 HZ1 LYS 49 -4.193 -7.625 -0.288 355 2HZ LYS 49 HZ2 LYS 49 -2.671 -7.035 -0.276 356 3HZ LYS 49 HZ3 LYS 49 -2.999 -8.330 -1.185 357 H LEU 50 H LEU 50 2.315 -5.629 1.146 358 HA LEU 50 HA LEU 50 2.673 -5.470 4.076 359 1HB LEU 50 HB2 LEU 50 4.210 -6.859 2.642 360 2HB LEU 50 HB3 LEU 50 4.638 -5.398 1.748 361 HG LEU 50 HG LEU 50 5.621 -4.427 3.831 362 1HD1 LEU 50 HD11 LEU 50 4.337 -5.659 5.532 363 2HD1 LEU 50 HD12 LEU 50 5.029 -7.194 4.974 364 3HD1 LEU 50 HD13 LEU 50 6.056 -5.964 5.743 365 1HD2 LEU 50 HD21 LEU 50 7.610 -5.884 3.848 366 2HD2 LEU 50 HD22 LEU 50 6.698 -7.117 2.939 367 3HD2 LEU 50 HD23 LEU 50 7.021 -5.524 2.220 368 H LYS 51 H LYS 51 3.616 -3.601 4.989 369 HA LYS 51 HA LYS 51 3.784 -1.132 3.326 370 1HB LYS 51 HB2 LYS 51 1.845 -1.053 4.953 371 2HB LYS 51 HB3 LYS 51 2.970 -1.392 6.259 372 1HG LYS 51 HG2 LYS 51 4.221 0.746 5.619 373 2HG LYS 51 HG3 LYS 51 2.904 1.102 4.504 374 1HD LYS 51 HD2 LYS 51 2.648 0.686 7.521 375 2HD LYS 51 HD3 LYS 51 2.728 2.253 6.711 376 1HE LYS 51 HE2 LYS 51 0.638 1.741 5.476 377 2HE LYS 51 HE3 LYS 51 0.535 0.168 6.291 378 1HZ LYS 51 HZ1 LYS 51 0.367 1.329 8.392 379 2HZ LYS 51 HZ2 LYS 51 0.507 2.798 7.650 380 3HZ LYS 51 HZ3 LYS 51 -0.824 1.865 7.381 381 H ILE 52 H ILE 52 5.734 0.041 3.776 382 HA ILE 52 HA ILE 52 7.641 -1.320 5.605 383 HB ILE 52 HB ILE 52 8.223 -0.002 2.938 384 1HG1 ILE 52 HG12 ILE 52 8.525 -2.894 3.869 385 2HG1 ILE 52 HG13 ILE 52 7.310 -2.291 2.744 386 1HG2 ILE 52 HG21 ILE 52 9.999 0.525 4.616 387 2HG2 ILE 52 HG22 ILE 52 10.206 -1.214 4.918 388 3HG2 ILE 52 HG23 ILE 52 10.596 -0.512 3.334 389 1HD1 ILE 52 HD11 ILE 52 9.162 -1.623 1.174 390 2HD1 ILE 52 HD12 ILE 52 10.292 -2.500 2.236 391 3HD1 ILE 52 HD13 ILE 52 8.965 -3.365 1.444 392 H VAL 53 H VAL 53 8.601 0.103 7.101 393 HA VAL 53 HA VAL 53 7.654 2.951 6.976 394 HB VAL 53 HB VAL 53 7.357 1.000 9.297 395 1HG1 VAL 53 HG11 VAL 53 6.715 3.983 9.145 396 2HG1 VAL 53 HG12 VAL 53 6.256 2.895 10.479 397 3HG1 VAL 53 HG13 VAL 53 7.959 3.233 10.171 398 1HG2 VAL 53 HG21 VAL 53 4.948 1.497 9.062 399 2HG2 VAL 53 HG22 VAL 53 5.283 2.501 7.638 400 3HG2 VAL 53 HG23 VAL 53 5.596 0.756 7.595 401 H LYS 54 H LYS 54 9.593 3.933 6.588 402 HA LYS 54 HA LYS 54 12.015 3.077 8.018 403 1HB LYS 54 HB2 LYS 54 11.475 5.521 6.284 404 2HB LYS 54 HB3 LYS 54 13.049 5.019 6.920 405 1HG LYS 54 HG2 LYS 54 12.893 2.901 5.625 406 2HG LYS 54 HG3 LYS 54 11.331 3.395 4.988 407 1HD LYS 54 HD2 LYS 54 13.109 3.788 3.347 408 2HD LYS 54 HD3 LYS 54 12.311 5.279 3.829 409 1HE LYS 54 HE2 LYS 54 14.638 5.745 3.680 410 2HE LYS 54 HE3 LYS 54 14.198 5.784 5.386 411 1HZ LYS 54 HZ1 LYS 54 15.628 3.601 3.978 412 2HZ LYS 54 HZ2 LYS 54 16.242 4.590 5.125 413 3HZ LYS 54 HZ3 LYS 54 15.132 3.455 5.526 414 H ILE 55 H ILE 55 12.825 4.068 9.905 415 HA ILE 55 HA ILE 55 11.465 6.489 10.895 416 HB ILE 55 HB ILE 55 10.130 4.838 11.891 417 1HG1 ILE 55 HG12 ILE 55 12.094 5.640 14.069 418 2HG1 ILE 55 HG13 ILE 55 11.028 6.795 13.267 419 1HG2 ILE 55 HG21 ILE 55 11.529 2.821 11.668 420 2HG2 ILE 55 HG22 ILE 55 12.611 3.424 12.941 421 3HG2 ILE 55 HG23 ILE 55 10.933 2.999 13.314 422 1HD1 ILE 55 HD11 ILE 55 10.106 4.386 14.881 423 2HD1 ILE 55 HD12 ILE 55 10.025 6.087 15.361 424 3HD1 ILE 55 HD13 ILE 55 9.044 5.518 14.003 425 H ASP 56 H ASP 56 12.791 7.890 11.736 426 HA ASP 56 HA ASP 56 15.633 7.415 11.345 427 1HB ASP 56 HB2 ASP 56 14.557 9.353 10.376 428 2HB ASP 56 HB3 ASP 56 14.048 9.914 11.972 429 H VAL 57 H VAL 57 16.710 6.489 13.078 430 HA VAL 57 HA VAL 57 15.781 6.690 15.762 431 HB VAL 57 HB VAL 57 17.817 5.561 16.417 432 1HG1 VAL 57 HG11 VAL 57 16.747 4.383 13.817 433 2HG1 VAL 57 HG12 VAL 57 17.500 3.511 15.170 434 3HG1 VAL 57 HG13 VAL 57 15.936 4.315 15.393 435 1HG2 VAL 57 HG21 VAL 57 19.481 6.681 14.939 436 2HG2 VAL 57 HG22 VAL 57 19.578 4.918 14.873 437 3HG2 VAL 57 HG23 VAL 57 18.806 5.803 13.551 438 H ASP 58 H ASP 58 17.599 9.027 13.915 439 HA ASP 58 HA ASP 58 19.013 10.208 16.147 440 1HB ASP 58 HB2 ASP 58 19.632 10.563 13.759 441 2HB ASP 58 HB3 ASP 58 18.139 11.488 13.538 442 H GLU 59 H GLU 59 15.670 10.198 15.202 443 HA GLU 59 HA GLU 59 15.099 12.350 17.210 444 1HB GLU 59 HB2 GLU 59 13.666 11.756 14.588 445 2HB GLU 59 HB3 GLU 59 13.105 12.891 15.823 446 1HG GLU 59 HG2 GLU 59 15.299 14.136 15.573 447 2HG GLU 59 HG3 GLU 59 15.646 13.124 14.169 448 H ASN 60 H ASN 60 14.960 9.070 16.791 449 HA ASN 60 HA ASN 60 12.411 8.782 18.315 450 1HB ASN 60 HB2 ASN 60 13.177 7.213 15.823 451 2HB ASN 60 HB3 ASN 60 11.802 6.875 16.868 452 1HD2 ASN 60 HD21 ASN 60 12.991 8.965 14.337 453 2HD2 ASN 60 HD22 ASN 60 11.512 9.884 14.130 454 H GLN 61 H GLN 61 14.977 8.762 19.464 455 HA GLN 61 HA GLN 61 16.102 6.225 19.886 456 1HB GLN 61 HB2 GLN 61 15.734 8.468 21.929 457 2HB GLN 61 HB3 GLN 61 16.811 7.083 22.080 458 1HG GLN 61 HG2 GLN 61 18.355 8.546 21.310 459 2HG GLN 61 HG3 GLN 61 17.766 7.962 19.756 460 1HE2 GLN 61 HE22 GLN 61 17.225 9.516 18.309 461 2HE2 GLN 61 HE21 GLN 61 16.939 11.201 18.684 462 H GLU 62 H GLU 62 13.078 7.596 21.203 463 HA GLU 62 HA GLU 62 12.782 5.710 23.309 464 1HB GLU 62 HB2 GLU 62 10.710 7.349 21.781 465 2HB GLU 62 HB3 GLU 62 10.363 6.400 23.235 466 1HG GLU 62 HG2 GLU 62 12.058 7.725 24.497 467 2HG GLU 62 HG3 GLU 62 12.345 8.714 23.065 468 H THR 63 H THR 63 11.456 5.672 19.912 469 HA THR 63 HA THR 63 10.124 3.190 20.267 470 HB THR 63 HB THR 63 11.158 4.031 17.617 471 HG1 THR 63 HG1 THR 63 9.201 5.527 19.024 472 1HG2 THR 63 HG21 THR 63 9.527 2.184 17.773 473 2HG2 THR 63 HG22 THR 63 8.343 3.292 18.494 474 3HG2 THR 63 HG23 THR 63 8.908 3.539 16.822 475 H ALA 64 H ALA 64 13.383 4.081 19.028 476 HA ALA 64 HA ALA 64 14.265 1.475 18.334 477 1HB ALA 64 HB1 ALA 64 16.557 2.472 18.685 478 2HB ALA 64 HB2 ALA 64 15.497 3.536 17.741 479 3HB ALA 64 HB3 ALA 64 15.811 3.871 19.456 480 H GLY 65 H GLY 65 14.494 3.222 21.474 481 1HA GLY 65 HA2 GLY 65 15.730 1.167 22.967 482 2HA GLY 65 HA3 GLY 65 14.727 2.486 23.603 483 H LYS 66 H LYS 66 12.338 1.634 22.021 484 HA LYS 66 HA LYS 66 11.019 0.010 23.857 485 1HB LYS 66 HB2 LYS 66 10.137 1.549 21.951 486 2HB LYS 66 HB3 LYS 66 10.279 0.128 20.919 487 1HG LYS 66 HG2 LYS 66 8.692 -1.116 22.235 488 2HG LYS 66 HG3 LYS 66 8.729 0.087 23.543 489 1HD LYS 66 HD2 LYS 66 7.723 1.773 22.098 490 2HD LYS 66 HD3 LYS 66 7.733 0.651 20.721 491 1HE LYS 66 HE2 LYS 66 6.224 -0.886 21.958 492 2HE LYS 66 HE3 LYS 66 6.233 0.209 23.346 493 1HZ LYS 66 HZ1 LYS 66 5.161 1.882 21.959 494 2HZ LYS 66 HZ2 LYS 66 5.155 0.878 20.665 495 3HZ LYS 66 HZ3 LYS 66 4.269 0.521 21.984 496 H TYR 67 H TYR 67 12.992 -0.950 21.060 497 HA TYR 67 HA TYR 67 12.554 -3.813 21.818 498 1HB TYR 67 HB2 TYR 67 13.484 -3.027 19.090 499 2HB TYR 67 HB3 TYR 67 12.576 -4.442 19.594 500 HD1 TYR 67 HD1 TYR 67 12.452 -1.172 18.134 501 HD2 TYR 67 HD2 TYR 67 10.079 -3.976 20.399 502 HE1 TYR 67 HE1 TYR 67 10.447 0.097 17.577 503 HE2 TYR 67 HE2 TYR 67 8.025 -2.732 19.790 504 HH TYR 67 HH TYR 67 7.143 -0.905 18.654 505 H GLY 68 H GLY 68 14.709 -1.568 22.517 506 1HA GLY 68 HA2 GLY 68 16.919 -1.546 23.036 507 2HA GLY 68 HA3 GLY 68 16.924 -3.309 22.858 508 H VAL 69 H VAL 69 16.080 -1.106 20.171 509 HA VAL 69 HA VAL 69 18.182 -2.125 18.444 510 HB VAL 69 HB VAL 69 16.408 0.339 18.186 511 1HG1 VAL 69 HG11 VAL 69 18.343 0.536 16.712 512 2HG1 VAL 69 HG12 VAL 69 18.091 -1.113 16.110 513 3HG1 VAL 69 HG13 VAL 69 16.909 0.165 15.755 514 1HG2 VAL 69 HG21 VAL 69 16.004 -2.471 17.101 515 2HG2 VAL 69 HG22 VAL 69 14.994 -1.614 18.285 516 3HG2 VAL 69 HG23 VAL 69 15.053 -1.043 16.622 517 H MET 70 H MET 70 20.248 -1.482 18.449 518 HA MET 70 HA MET 70 21.032 1.130 19.643 519 1HB MET 70 HB2 MET 70 21.177 -0.888 21.214 520 2HB MET 70 HB3 MET 70 22.444 -1.520 20.154 521 1HG MET 70 HG2 MET 70 23.831 0.464 20.637 522 2HG MET 70 HG3 MET 70 22.512 1.177 21.573 523 1HE MET 70 HE1 MET 70 25.509 0.923 22.606 524 2HE MET 70 HE2 MET 70 24.189 1.644 23.555 525 3HE MET 70 HE3 MET 70 25.233 0.404 24.284 526 H SER 71 H SER 71 20.968 -0.629 16.869 527 HA SER 71 HA SER 71 23.293 0.655 15.701 528 1HB SER 71 HB2 SER 71 22.776 -2.347 15.449 529 2HB SER 71 HB3 SER 71 24.055 -1.435 14.636 530 HG SER 71 HG SER 71 24.809 -2.548 16.493 531 H ILE 72 H ILE 72 23.068 0.497 13.257 532 HA ILE 72 HA ILE 72 20.413 -0.201 12.272 533 HB ILE 72 HB ILE 72 20.200 1.954 11.078 534 1HG1 ILE 72 HG12 ILE 72 22.326 3.049 12.974 535 2HG1 ILE 72 HG13 ILE 72 22.609 2.682 11.271 536 1HG2 ILE 72 HG21 ILE 72 19.145 3.143 12.880 537 2HG2 ILE 72 HG22 ILE 72 18.976 1.421 13.214 538 3HG2 ILE 72 HG23 ILE 72 20.191 2.373 14.090 539 1HD1 ILE 72 HD11 ILE 72 22.196 5.052 11.502 540 2HD1 ILE 72 HD12 ILE 72 20.853 4.301 10.623 541 3HD1 ILE 72 HD13 ILE 72 20.658 4.765 12.328 542 HA PRO 73 HA PRO 73 19.515 0.312 9.864 543 1HB PRO 73 HB2 PRO 73 19.077 -1.576 7.934 544 2HB PRO 73 HB3 PRO 73 19.729 0.049 7.588 545 1HG PRO 73 HG2 PRO 73 21.250 -2.548 7.915 546 2HG PRO 73 HG3 PRO 73 21.463 -1.291 6.658 547 1HD PRO 73 HD2 PRO 73 23.064 -1.444 8.873 548 2HD PRO 73 HD3 PRO 73 22.621 0.124 8.143 549 H THR 74 H THR 74 17.879 -0.727 10.938 550 HA THR 74 HA THR 74 18.206 -3.621 11.599 551 HB THR 74 HB THR 74 17.633 -1.348 13.543 552 HG1 THR 74 HG1 THR 74 19.610 -1.693 14.075 553 1HG2 THR 74 HG21 THR 74 16.095 -3.088 14.169 554 2HG2 THR 74 HG22 THR 74 17.304 -4.356 13.904 555 3HG2 THR 74 HG23 THR 74 17.482 -3.227 15.259 556 H LEU 75 H LEU 75 16.286 -4.763 11.479 557 HA LEU 75 HA LEU 75 14.010 -3.226 10.334 558 1HB LEU 75 HB2 LEU 75 14.933 -6.021 9.631 559 2HB LEU 75 HB3 LEU 75 13.461 -5.251 9.094 560 HG LEU 75 HG LEU 75 14.762 -4.992 7.285 561 1HD1 LEU 75 HD11 LEU 75 13.885 -2.798 7.888 562 2HD1 LEU 75 HD12 LEU 75 15.464 -2.391 8.610 563 3HD1 LEU 75 HD13 LEU 75 15.339 -2.732 6.878 564 1HD2 LEU 75 HD21 LEU 75 17.134 -4.472 7.166 565 2HD2 LEU 75 HD22 LEU 75 17.214 -4.224 8.918 566 3HD2 LEU 75 HD23 LEU 75 16.886 -5.839 8.254 567 H LEU 76 H LEU 76 12.037 -3.592 11.278 568 HA LEU 76 HA LEU 76 11.796 -5.789 13.331 569 1HB LEU 76 HB2 LEU 76 10.902 -2.879 13.456 570 2HB LEU 76 HB3 LEU 76 10.041 -4.129 14.316 571 HG LEU 76 HG LEU 76 11.591 -2.799 15.725 572 1HD1 LEU 76 HD11 LEU 76 10.867 -5.032 16.416 573 2HD1 LEU 76 HD12 LEU 76 12.216 -5.780 15.546 574 3HD1 LEU 76 HD13 LEU 76 12.525 -4.730 16.945 575 1HD2 LEU 76 HD21 LEU 76 13.876 -4.306 14.410 576 2HD2 LEU 76 HD22 LEU 76 13.460 -2.626 14.020 577 3HD2 LEU 76 HD23 LEU 76 13.951 -3.064 15.666 578 H VAL 77 H VAL 77 10.218 -7.146 12.682 579 HA VAL 77 HA VAL 77 8.362 -6.220 10.530 580 HB VAL 77 HB VAL 77 8.671 -9.045 11.554 581 1HG1 VAL 77 HG11 VAL 77 6.611 -8.473 10.296 582 2HG1 VAL 77 HG12 VAL 77 7.598 -7.930 8.928 583 3HG1 VAL 77 HG13 VAL 77 7.610 -9.640 9.419 584 1HG2 VAL 77 HG21 VAL 77 10.039 -9.564 9.530 585 2HG2 VAL 77 HG22 VAL 77 10.178 -7.826 9.205 586 3HG2 VAL 77 HG23 VAL 77 10.892 -8.525 10.673 587 H LEU 78 H LEU 78 6.372 -5.637 11.317 588 HA LEU 78 HA LEU 78 5.609 -6.549 14.045 589 1HB LEU 78 HB2 LEU 78 4.943 -3.887 12.702 590 2HB LEU 78 HB3 LEU 78 4.221 -4.502 14.180 591 HG LEU 78 HG LEU 78 6.793 -4.679 14.957 592 1HD1 LEU 78 HD11 LEU 78 6.818 -2.345 13.002 593 2HD1 LEU 78 HD12 LEU 78 8.072 -2.705 14.204 594 3HD1 LEU 78 HD13 LEU 78 7.770 -3.825 12.873 595 1HD2 LEU 78 HD21 LEU 78 5.016 -3.435 16.133 596 2HD2 LEU 78 HD22 LEU 78 6.552 -2.562 16.117 597 3HD2 LEU 78 HD23 LEU 78 5.242 -2.069 15.028 598 H LYS 79 H LYS 79 3.360 -6.975 14.280 599 HA LYS 79 HA LYS 79 1.762 -7.180 11.795 600 1HB LYS 79 HB2 LYS 79 2.732 -9.424 12.221 601 2HB LYS 79 HB3 LYS 79 2.066 -9.403 13.864 602 1HG LYS 79 HG2 LYS 79 -0.236 -9.230 12.857 603 2HG LYS 79 HG3 LYS 79 0.509 -9.341 11.246 604 1HD LYS 79 HD2 LYS 79 1.403 -11.585 11.821 605 2HD LYS 79 HD3 LYS 79 0.738 -11.437 13.448 606 1HE LYS 79 HE2 LYS 79 -0.744 -12.838 12.228 607 2HE LYS 79 HE3 LYS 79 -1.569 -11.298 12.473 608 1HZ LYS 79 HZ1 LYS 79 -1.041 -10.729 10.174 609 2HZ LYS 79 HZ2 LYS 79 -0.194 -12.129 9.973 610 3HZ LYS 79 HZ3 LYS 79 -1.811 -12.165 10.213 611 H ASP 80 H ASP 80 -0.014 -6.028 12.185 612 HA ASP 80 HA ASP 80 -1.696 -4.946 13.202 613 1HB ASP 80 HB2 ASP 80 -2.487 -7.259 13.342 614 2HB ASP 80 HB3 ASP 80 -1.753 -7.438 14.934 615 H GLY 81 H GLY 81 0.886 -4.150 14.085 616 1HA GLY 81 HA2 GLY 81 1.315 -2.281 15.356 617 2HA GLY 81 HA3 GLY 81 0.046 -2.713 16.496 618 H GLU 82 H GLU 82 1.910 -5.544 16.252 619 HA GLU 82 HA GLU 82 3.878 -4.622 18.281 620 1HB GLU 82 HB2 GLU 82 3.348 -6.454 19.662 621 2HB GLU 82 HB3 GLU 82 1.820 -5.677 19.213 622 1HG GLU 82 HG2 GLU 82 1.370 -7.451 17.568 623 2HG GLU 82 HG3 GLU 82 2.897 -8.241 17.975 624 H VAL 83 H VAL 83 5.836 -5.943 18.400 625 HA VAL 83 HA VAL 83 6.841 -6.633 15.812 626 HB VAL 83 HB VAL 83 8.011 -7.325 18.530 627 1HG1 VAL 83 HG11 VAL 83 9.293 -7.013 15.765 628 2HG1 VAL 83 HG12 VAL 83 10.171 -7.273 17.289 629 3HG1 VAL 83 HG13 VAL 83 9.108 -8.530 16.669 630 1HG2 VAL 83 HG21 VAL 83 8.381 -4.823 16.814 631 2HG2 VAL 83 HG22 VAL 83 7.623 -4.894 18.419 632 3HG2 VAL 83 HG23 VAL 83 9.338 -5.248 18.246 633 H VAL 84 H VAL 84 6.906 -8.415 14.744 634 HA VAL 84 HA VAL 84 6.132 -10.968 16.035 635 HB VAL 84 HB VAL 84 4.476 -9.827 14.439 636 1HG1 VAL 84 HG11 VAL 84 5.966 -9.182 12.619 637 2HG1 VAL 84 HG12 VAL 84 6.393 -10.882 12.318 638 3HG1 VAL 84 HG13 VAL 84 4.745 -10.313 12.033 639 1HG2 VAL 84 HG21 VAL 84 5.295 -12.694 13.954 640 2HG2 VAL 84 HG22 VAL 84 4.203 -12.096 15.218 641 3HG2 VAL 84 HG23 VAL 84 3.729 -11.962 13.518 642 H GLU 85 H GLU 85 8.565 -9.231 14.054 643 HA GLU 85 HA GLU 85 10.366 -11.475 14.441 644 1HB GLU 85 HB2 GLU 85 9.001 -11.162 11.841 645 2HB GLU 85 HB3 GLU 85 10.739 -11.021 11.670 646 1HG GLU 85 HG2 GLU 85 9.247 -13.342 12.942 647 2HG GLU 85 HG3 GLU 85 9.890 -13.293 11.310 648 H THR 86 H THR 86 12.629 -10.836 13.443 649 HA THR 86 HA THR 86 13.040 -7.918 13.254 650 HB THR 86 HB THR 86 14.237 -9.632 15.468 651 HG1 THR 86 HG1 THR 86 11.909 -8.349 15.323 652 1HG2 THR 86 HG21 THR 86 15.792 -7.838 14.964 653 2HG2 THR 86 HG22 THR 86 14.481 -6.639 14.928 654 3HG2 THR 86 HG23 THR 86 14.947 -7.421 16.454 655 H SER 87 H SER 87 15.170 -7.378 12.453 656 HA SER 87 HA SER 87 17.192 -9.451 12.124 657 1HB SER 87 HB2 SER 87 15.893 -8.049 9.750 658 2HB SER 87 HB3 SER 87 17.502 -8.794 9.669 659 HG SER 87 HG SER 87 15.437 -10.307 10.760 660 H VAL 88 H VAL 88 19.305 -8.455 11.711 661 HA VAL 88 HA VAL 88 19.428 -5.514 12.161 662 HB VAL 88 HB VAL 88 21.059 -7.629 13.615 663 1HG1 VAL 88 HG11 VAL 88 20.944 -4.602 13.974 664 2HG1 VAL 88 HG12 VAL 88 21.850 -5.729 15.004 665 3HG1 VAL 88 HG13 VAL 88 22.308 -5.530 13.313 666 1HG2 VAL 88 HG21 VAL 88 18.783 -7.664 14.543 667 2HG2 VAL 88 HG22 VAL 88 19.889 -6.905 15.683 668 3HG2 VAL 88 HG23 VAL 88 18.805 -5.894 14.709 669 H GLY 89 H GLY 89 21.038 -4.537 10.941 670 1HA GLY 89 HA2 GLY 89 22.875 -4.329 9.566 671 2HA GLY 89 HA3 GLY 89 23.212 -6.061 9.704 672 H PHE 90 H PHE 90 23.558 -5.306 7.264 673 HA PHE 90 HA PHE 90 21.246 -5.124 5.570 674 1HB PHE 90 HB2 PHE 90 23.513 -4.404 4.878 675 2HB PHE 90 HB3 PHE 90 24.096 -6.059 4.989 676 HD1 PHE 90 HD1 PHE 90 22.424 -3.608 2.896 677 HD2 PHE 90 HD2 PHE 90 23.204 -7.823 3.367 678 HE1 PHE 90 HE1 PHE 90 21.730 -4.003 0.543 679 HE2 PHE 90 HE2 PHE 90 22.505 -8.213 1.023 680 HZ PHE 90 HZ PHE 90 21.764 -6.307 -0.393 681 H LYS 91 H LYS 91 19.981 -6.663 4.723 682 HA LYS 91 HA LYS 91 20.691 -9.522 4.825 683 1HB LYS 91 HB2 LYS 91 18.403 -8.159 6.227 684 2HB LYS 91 HB3 LYS 91 17.954 -9.514 5.215 685 1HG LYS 91 HG2 LYS 91 18.212 -10.162 7.523 686 2HG LYS 91 HG3 LYS 91 19.288 -11.057 6.443 687 1HD LYS 91 HD2 LYS 91 21.205 -9.865 7.212 688 2HD LYS 91 HD3 LYS 91 20.211 -8.683 8.108 689 1HE LYS 91 HE2 LYS 91 19.455 -10.501 9.612 690 2HE LYS 91 HE3 LYS 91 20.382 -11.680 8.678 691 1HZ LYS 91 HZ1 LYS 91 22.408 -10.537 9.325 692 2HZ LYS 91 HZ2 LYS 91 21.572 -9.397 10.158 693 3HZ LYS 91 HZ3 LYS 91 21.577 -10.959 10.660 694 HA PRO 92 HA PRO 92 19.231 -8.851 0.661 695 1HB PRO 92 HB2 PRO 92 18.637 -11.381 -0.194 696 2HB PRO 92 HB3 PRO 92 20.313 -10.840 0.129 697 1HG PRO 92 HG2 PRO 92 18.475 -12.400 1.973 698 2HG PRO 92 HG3 PRO 92 20.183 -12.749 1.561 699 1HD PRO 92 HD2 PRO 92 19.470 -11.409 3.840 700 2HD PRO 92 HD3 PRO 92 20.970 -11.014 2.947 701 H LYS 93 H LYS 93 17.266 -8.849 -0.632 702 HA LYS 93 HA LYS 93 14.924 -8.365 0.840 703 1HB LYS 93 HB2 LYS 93 13.741 -8.301 -1.306 704 2HB LYS 93 HB3 LYS 93 15.222 -7.377 -1.336 705 1HG LYS 93 HG2 LYS 93 16.317 -9.334 -2.559 706 2HG LYS 93 HG3 LYS 93 14.708 -10.088 -2.614 707 1HD LYS 93 HD2 LYS 93 13.868 -7.941 -3.730 708 2HD LYS 93 HD3 LYS 93 15.549 -7.405 -3.795 709 1HE LYS 93 HE2 LYS 93 14.949 -8.305 -5.939 710 2HE LYS 93 HE3 LYS 93 16.119 -9.399 -5.196 711 1HZ LYS 93 HZ1 LYS 93 14.148 -10.481 -6.256 712 2HZ LYS 93 HZ2 LYS 93 14.350 -10.914 -4.699 713 3HZ LYS 93 HZ3 LYS 93 13.182 -9.831 -5.092 714 H GLU 94 H GLU 94 16.040 -11.383 -0.559 715 HA GLU 94 HA GLU 94 13.625 -12.846 -0.386 716 1HB GLU 94 HB2 GLU 94 15.665 -13.573 -1.589 717 2HB GLU 94 HB3 GLU 94 16.500 -13.810 -0.047 718 1HG GLU 94 HG2 GLU 94 14.872 -15.565 0.581 719 2HG GLU 94 HG3 GLU 94 13.956 -15.268 -0.900 720 H ALA 95 H ALA 95 16.154 -12.171 2.114 721 HA ALA 95 HA ALA 95 15.062 -13.967 4.050 722 1HB ALA 95 HB1 ALA 95 17.387 -13.173 4.183 723 2HB ALA 95 HB2 ALA 95 16.821 -11.502 4.421 724 3HB ALA 95 HB3 ALA 95 16.493 -12.737 5.651 725 H LEU 96 H LEU 96 14.746 -10.433 3.545 726 HA LEU 96 HA LEU 96 12.915 -9.878 5.596 727 1HB LEU 96 HB2 LEU 96 13.486 -8.642 2.880 728 2HB LEU 96 HB3 LEU 96 12.149 -8.066 3.875 729 HG LEU 96 HG LEU 96 13.756 -7.679 5.744 730 1HD1 LEU 96 HD11 LEU 96 15.905 -8.097 3.645 731 2HD1 LEU 96 HD12 LEU 96 16.147 -7.368 5.241 732 3HD1 LEU 96 HD13 LEU 96 15.658 -9.057 5.129 733 1HD2 LEU 96 HD21 LEU 96 14.616 -5.553 4.796 734 2HD2 LEU 96 HD22 LEU 96 14.324 -6.160 3.152 735 3HD2 LEU 96 HD23 LEU 96 12.963 -5.844 4.245 736 H GLN 97 H GLN 97 12.281 -10.917 2.222 737 HA GLN 97 HA GLN 97 9.457 -10.930 2.483 738 1HB GLN 97 HB2 GLN 97 11.455 -12.155 0.573 739 2HB GLN 97 HB3 GLN 97 9.815 -12.815 0.558 740 1HG GLN 97 HG2 GLN 97 8.815 -10.751 0.093 741 2HG GLN 97 HG3 GLN 97 10.273 -9.836 0.460 742 1HE2 GLN 97 HE22 GLN 97 12.097 -9.960 -1.033 743 2HE2 GLN 97 HE21 GLN 97 11.678 -10.074 -2.753 744 H GLU 98 H GLU 98 11.828 -13.534 3.164 745 HA GLU 98 HA GLU 98 9.814 -15.478 3.679 746 1HB GLU 98 HB2 GLU 98 12.705 -15.205 4.579 747 2HB GLU 98 HB3 GLU 98 11.703 -16.544 5.127 748 1HG GLU 98 HG2 GLU 98 12.176 -15.911 2.182 749 2HG GLU 98 HG3 GLU 98 13.152 -17.034 3.120 750 H LEU 99 H LEU 99 11.408 -13.108 5.849 751 HA LEU 99 HA LEU 99 10.001 -14.064 8.185 752 1HB LEU 99 HB2 LEU 99 11.180 -11.303 7.692 753 2HB LEU 99 HB3 LEU 99 10.595 -11.925 9.235 754 HG LEU 99 HG LEU 99 13.025 -12.847 7.677 755 1HD1 LEU 99 HD11 LEU 99 14.219 -12.197 9.699 756 2HD1 LEU 99 HD12 LEU 99 13.254 -10.840 9.097 757 3HD1 LEU 99 HD13 LEU 99 12.697 -11.773 10.505 758 1HD2 LEU 99 HD21 LEU 99 11.787 -14.201 10.099 759 2HD2 LEU 99 HD22 LEU 99 12.062 -14.915 8.493 760 3HD2 LEU 99 HD23 LEU 99 13.436 -14.492 9.511 761 H VAL 100 H VAL 100 9.140 -11.602 5.740 762 HA VAL 100 HA VAL 100 6.684 -10.798 6.949 763 HB VAL 100 HB VAL 100 7.689 -10.939 4.085 764 1HG1 VAL 100 HG11 VAL 100 5.072 -9.702 5.006 765 2HG1 VAL 100 HG12 VAL 100 5.836 -9.450 3.417 766 3HG1 VAL 100 HG13 VAL 100 5.286 -11.060 3.879 767 1HG2 VAL 100 HG21 VAL 100 8.728 -9.284 5.722 768 2HG2 VAL 100 HG22 VAL 100 8.059 -8.619 4.237 769 3HG2 VAL 100 HG23 VAL 100 7.157 -8.476 5.776 770 H ASN 101 H ASN 101 7.470 -13.388 4.630 771 HA ASN 101 HA ASN 101 4.871 -14.341 4.193 772 1HB ASN 101 HB2 ASN 101 6.877 -14.761 2.795 773 2HB ASN 101 HB3 ASN 101 7.521 -15.843 4.034 774 1HD2 ASN 101 HD22 ASN 101 5.710 -15.670 1.199 775 2HD2 ASN 101 HD21 ASN 101 4.982 -17.257 1.250 776 H LYS 102 H LYS 102 7.205 -15.222 6.749 777 HA LYS 102 HA LYS 102 5.891 -17.474 7.842 778 1HB LYS 102 HB2 LYS 102 7.512 -15.245 9.136 779 2HB LYS 102 HB3 LYS 102 6.851 -16.589 10.060 780 1HG LYS 102 HG2 LYS 102 8.152 -18.209 8.789 781 2HG LYS 102 HG3 LYS 102 8.782 -16.939 7.744 782 1HD LYS 102 HD2 LYS 102 10.454 -17.510 9.387 783 2HD LYS 102 HD3 LYS 102 9.888 -15.860 9.688 784 1HE LYS 102 HE2 LYS 102 8.472 -16.633 11.537 785 2HE LYS 102 HE3 LYS 102 8.875 -18.319 11.179 786 1HZ LYS 102 HZ1 LYS 102 10.180 -17.527 13.007 787 2HZ LYS 102 HZ2 LYS 102 11.190 -17.792 11.761 788 3HZ LYS 102 HZ3 LYS 102 10.776 -16.255 12.182 789 H HIS 103 H HIS 103 4.928 -14.060 7.994 790 HA HIS 103 HA HIS 103 2.840 -14.787 10.002 791 1HB HIS 103 HB2 HIS 103 4.562 -12.291 9.878 792 2HB HIS 103 HB3 HIS 103 3.282 -12.609 11.051 793 HD1 HIS 103 HD1 HIS 103 3.767 -15.156 12.437 794 HD2 HIS 103 HD2 HIS 103 6.945 -13.030 10.677 795 HE1 HIS 103 HE1 HIS 103 5.903 -16.086 13.455 796 H LEU 104 H LEU 104 3.185 -13.552 6.835 797 HA LEU 104 HA LEU 104 0.918 -11.828 6.765 798 1HB LEU 104 HB2 LEU 104 2.248 -13.642 4.730 799 2HB LEU 104 HB3 LEU 104 0.696 -12.903 4.359 800 HG LEU 104 HG LEU 104 3.211 -11.362 5.069 801 1HD1 LEU 104 HD11 LEU 104 3.376 -12.495 2.884 802 2HD1 LEU 104 HD12 LEU 104 1.803 -11.830 2.394 803 3HD1 LEU 104 HD13 LEU 104 3.186 -10.750 2.653 804 1HD2 LEU 104 HD21 LEU 104 1.209 -10.045 5.661 805 2HD2 LEU 104 HD22 LEU 104 1.939 -9.386 4.203 806 3HD2 LEU 104 HD23 LEU 104 0.482 -10.398 4.084 Start of MODEL 12 1 1H MET 1 H1 MET 1 1.233 -1.637 1.597 2 2H MET 1 H2 MET 1 -0.409 -1.651 1.432 3 3H MET 1 H3 MET 1 0.570 -1.876 0.133 4 HA MET 1 HA MET 1 -0.347 0.279 0.033 5 1HB MET 1 HB2 MET 1 -0.754 0.540 2.456 6 2HB MET 1 HB3 MET 1 0.965 0.787 2.732 7 1HG MET 1 HG2 MET 1 -0.276 2.912 2.651 8 2HG MET 1 HG3 MET 1 0.931 2.829 1.383 9 1HE MET 1 HE1 MET 1 -3.665 2.706 0.769 10 2HE MET 1 HE2 MET 1 -2.835 1.384 1.613 11 3HE MET 1 HE3 MET 1 -2.837 3.024 2.308 12 H ALA 2 H ALA 2 2.742 1.055 1.698 13 HA ALA 2 HA ALA 2 4.383 0.889 -0.669 14 1HB ALA 2 HB1 ALA 2 2.935 2.851 -1.260 15 2HB ALA 2 HB2 ALA 2 3.376 3.620 0.283 16 3HB ALA 2 HB3 ALA 2 4.606 3.338 -0.967 17 H ILE 3 H ILE 3 6.423 2.514 -0.023 18 HA ILE 3 HA ILE 3 7.196 1.953 2.749 19 HB ILE 3 HB ILE 3 8.495 3.629 0.571 20 1HG1 ILE 3 HG12 ILE 3 9.818 1.096 1.479 21 2HG1 ILE 3 HG13 ILE 3 8.318 0.846 0.604 22 1HG2 ILE 3 HG21 ILE 3 10.580 3.491 1.955 23 2HG2 ILE 3 HG22 ILE 3 9.304 4.400 2.761 24 3HG2 ILE 3 HG23 ILE 3 9.641 2.732 3.257 25 1HD1 ILE 3 HD11 ILE 3 10.629 2.534 -0.424 26 2HD1 ILE 3 HD12 ILE 3 10.255 0.866 -0.896 27 3HD1 ILE 3 HD13 ILE 3 9.098 2.168 -1.273 28 H VAL 4 H VAL 4 7.185 3.476 4.377 29 HA VAL 4 HA VAL 4 5.955 6.150 3.944 30 HB VAL 4 HB VAL 4 5.331 4.186 6.189 31 1HG1 VAL 4 HG11 VAL 4 3.348 5.628 6.610 32 2HG1 VAL 4 HG12 VAL 4 4.858 6.463 6.881 33 3HG1 VAL 4 HG13 VAL 4 3.940 6.771 5.384 34 1HG2 VAL 4 HG21 VAL 4 3.064 3.896 5.121 35 2HG2 VAL 4 HG22 VAL 4 3.688 4.723 3.678 36 3HG2 VAL 4 HG23 VAL 4 4.377 3.169 4.206 37 H LYS 5 H LYS 5 6.476 7.545 5.914 38 HA LYS 5 HA LYS 5 8.951 6.708 7.330 39 1HB LYS 5 HB2 LYS 5 8.394 9.375 6.013 40 2HB LYS 5 HB3 LYS 5 9.080 9.376 7.624 41 1HG LYS 5 HG2 LYS 5 11.030 9.378 6.595 42 2HG LYS 5 HG3 LYS 5 10.819 7.643 6.585 43 1HD LYS 5 HD2 LYS 5 10.307 9.611 4.315 44 2HD LYS 5 HD3 LYS 5 11.622 8.433 4.430 45 1HE LYS 5 HE2 LYS 5 9.917 6.585 4.358 46 2HE LYS 5 HE3 LYS 5 8.657 7.804 4.162 47 1HZ LYS 5 HZ1 LYS 5 9.711 8.514 2.093 48 2HZ LYS 5 HZ2 LYS 5 10.870 7.377 2.231 49 3HZ LYS 5 HZ3 LYS 5 9.312 6.943 2.002 50 H ALA 6 H ALA 6 8.715 6.953 9.595 51 HA ALA 6 HA ALA 6 6.249 8.284 10.599 52 1HB ALA 6 HB1 ALA 6 5.718 6.329 11.998 53 2HB ALA 6 HB2 ALA 6 5.698 5.882 10.287 54 3HB ALA 6 HB3 ALA 6 7.092 5.442 11.309 55 H THR 7 H THR 7 6.286 8.242 13.059 56 HA THR 7 HA THR 7 8.964 8.419 14.257 57 HB THR 7 HB THR 7 8.142 10.492 15.469 58 HG1 THR 7 HG1 THR 7 6.320 10.659 13.297 59 1HG2 THR 7 HG21 THR 7 8.741 12.101 13.708 60 2HG2 THR 7 HG22 THR 7 9.826 10.707 13.678 61 3HG2 THR 7 HG23 THR 7 8.545 10.848 12.460 62 H ASP 8 H ASP 8 8.664 8.579 16.680 63 HA ASP 8 HA ASP 8 7.281 6.666 18.000 64 1HB ASP 8 HB2 ASP 8 8.831 7.996 19.201 65 2HB ASP 8 HB3 ASP 8 8.036 9.495 18.740 66 H GLN 9 H GLN 9 5.886 9.790 17.011 67 HA GLN 9 HA GLN 9 3.561 9.640 18.624 68 1HB GLN 9 HB2 GLN 9 4.235 11.197 16.110 69 2HB GLN 9 HB3 GLN 9 2.794 11.505 17.085 70 1HG GLN 9 HG2 GLN 9 5.642 11.674 18.186 71 2HG GLN 9 HG3 GLN 9 4.724 13.047 17.587 72 1HE2 GLN 9 HE22 GLN 9 5.142 10.813 20.333 73 2HE2 GLN 9 HE21 GLN 9 3.967 11.613 21.353 74 H SER 10 H SER 10 4.256 8.309 15.450 75 HA SER 10 HA SER 10 1.394 7.471 15.136 76 1HB SER 10 HB2 SER 10 3.257 8.435 12.940 77 2HB SER 10 HB3 SER 10 1.538 8.035 12.792 78 HG SER 10 HG SER 10 1.898 10.294 12.969 79 H PHE 11 H PHE 11 4.622 6.328 15.265 80 HA PHE 11 HA PHE 11 4.772 4.377 13.327 81 1HB PHE 11 HB2 PHE 11 6.575 5.049 14.879 82 2HB PHE 11 HB3 PHE 11 5.745 4.267 16.217 83 HD1 PHE 11 HD1 PHE 11 7.697 3.789 13.124 84 HD2 PHE 11 HD2 PHE 11 5.737 1.789 16.410 85 HE1 PHE 11 HE1 PHE 11 8.912 1.717 12.585 86 HE2 PHE 11 HE2 PHE 11 6.928 -0.309 15.831 87 HZ PHE 11 HZ PHE 11 8.534 -0.351 13.945 88 H SER 12 H SER 12 3.258 4.003 16.591 89 HA SER 12 HA SER 12 2.602 1.300 16.310 90 1HB SER 12 HB2 SER 12 1.060 3.386 17.889 91 2HB SER 12 HB3 SER 12 1.189 1.651 18.233 92 HG SER 12 HG SER 12 2.599 2.967 19.518 93 H ALA 13 H ALA 13 0.819 4.181 15.215 94 HA ALA 13 HA ALA 13 -1.576 2.737 14.539 95 1HB ALA 13 HB1 ALA 13 -2.201 4.789 13.329 96 2HB ALA 13 HB2 ALA 13 -1.600 5.179 14.951 97 3HB ALA 13 HB3 ALA 13 -0.563 5.434 13.526 98 H GLU 14 H GLU 14 1.326 3.822 12.759 99 HA GLU 14 HA GLU 14 0.438 2.916 10.217 100 1HB GLU 14 HB2 GLU 14 3.241 3.404 11.315 101 2HB GLU 14 HB3 GLU 14 2.950 2.904 9.656 102 1HG GLU 14 HG2 GLU 14 1.972 5.471 10.950 103 2HG GLU 14 HG3 GLU 14 3.259 5.305 9.754 104 H THR 15 H THR 15 2.157 1.208 12.834 105 HA THR 15 HA THR 15 2.552 -1.138 11.213 106 HB THR 15 HB THR 15 3.480 -2.028 13.388 107 HG1 THR 15 HG1 THR 15 3.346 0.674 14.197 108 1HG2 THR 15 HG21 THR 15 5.490 -0.524 13.293 109 2HG2 THR 15 HG22 THR 15 4.983 -1.135 11.716 110 3HG2 THR 15 HG23 THR 15 4.615 0.539 12.182 111 H SER 16 H SER 16 -0.277 -0.066 12.454 112 HA SER 16 HA SER 16 -1.149 -2.722 13.405 113 1HB SER 16 HB2 SER 16 -2.377 0.038 13.769 114 2HB SER 16 HB3 SER 16 -3.089 -1.479 14.349 115 HG SER 16 HG SER 16 -0.702 -0.207 15.169 116 H GLU 17 H GLU 17 -0.683 -2.226 10.605 117 HA GLU 17 HA GLU 17 -3.412 -2.788 9.558 118 1HB GLU 17 HB2 GLU 17 -1.398 -0.889 8.301 119 2HB GLU 17 HB3 GLU 17 -2.863 -1.504 7.512 120 1HG GLU 17 HG2 GLU 17 -4.196 -0.546 9.462 121 2HG GLU 17 HG3 GLU 17 -2.720 0.294 9.956 122 H GLY 18 H GLY 18 -2.101 -4.889 10.283 123 1HA GLY 18 HA2 GLY 18 -1.899 -6.973 9.207 124 2HA GLY 18 HA3 GLY 18 -1.397 -6.170 7.714 125 H VAL 19 H VAL 19 0.444 -7.529 7.550 126 HA VAL 19 HA VAL 19 2.589 -7.366 9.548 127 HB VAL 19 HB VAL 19 2.600 -8.380 6.670 128 1HG1 VAL 19 HG11 VAL 19 4.793 -9.409 7.261 129 2HG1 VAL 19 HG12 VAL 19 4.885 -7.647 7.299 130 3HG1 VAL 19 HG13 VAL 19 4.763 -8.558 8.819 131 1HG2 VAL 19 HG21 VAL 19 2.618 -9.880 9.335 132 2HG2 VAL 19 HG22 VAL 19 1.264 -9.819 8.187 133 3HG2 VAL 19 HG23 VAL 19 2.772 -10.617 7.727 134 H VAL 20 H VAL 20 4.141 -5.824 9.569 135 HA VAL 20 HA VAL 20 4.396 -3.903 7.334 136 HB VAL 20 HB VAL 20 4.021 -3.178 10.281 137 1HG1 VAL 20 HG11 VAL 20 5.556 -1.602 9.197 138 2HG1 VAL 20 HG12 VAL 20 4.450 -1.428 7.818 139 3HG1 VAL 20 HG13 VAL 20 3.991 -0.819 9.418 140 1HG2 VAL 20 HG21 VAL 20 1.935 -1.951 9.352 141 2HG2 VAL 20 HG22 VAL 20 2.151 -2.900 7.881 142 3HG2 VAL 20 HG23 VAL 20 1.835 -3.708 9.429 143 H LEU 21 H LEU 21 6.563 -3.232 7.128 144 HA LEU 21 HA LEU 21 8.516 -4.638 8.917 145 1HB LEU 21 HB2 LEU 21 8.117 -5.605 6.635 146 2HB LEU 21 HB3 LEU 21 8.778 -4.118 5.940 147 HG LEU 21 HG LEU 21 10.189 -6.127 7.748 148 1HD1 LEU 21 HD11 LEU 21 10.654 -5.384 4.842 149 2HD1 LEU 21 HD12 LEU 21 11.512 -6.638 5.761 150 3HD1 LEU 21 HD13 LEU 21 9.794 -6.839 5.403 151 1HD2 LEU 21 HD21 LEU 21 12.302 -4.857 7.130 152 2HD2 LEU 21 HD22 LEU 21 11.264 -3.516 6.615 153 3HD2 LEU 21 HD23 LEU 21 11.260 -4.076 8.313 154 H ALA 22 H ALA 22 9.213 -3.052 10.242 155 HA ALA 22 HA ALA 22 9.414 -0.302 9.269 156 1HB ALA 22 HB1 ALA 22 8.491 -0.628 11.493 157 2HB ALA 22 HB2 ALA 22 9.907 -1.596 11.969 158 3HB ALA 22 HB3 ALA 22 10.097 0.135 11.632 159 H ASP 23 H ASP 23 11.387 0.799 9.198 160 HA ASP 23 HA ASP 23 13.909 -0.821 9.167 161 1HB ASP 23 HB2 ASP 23 13.359 -0.523 6.885 162 2HB ASP 23 HB3 ASP 23 12.810 1.131 7.137 163 H PHE 24 H PHE 24 14.647 -0.119 11.103 164 HA PHE 24 HA PHE 24 14.555 2.684 11.970 165 1HB PHE 24 HB2 PHE 24 15.745 0.140 13.157 166 2HB PHE 24 HB3 PHE 24 16.016 1.746 13.818 167 HD1 PHE 24 HD1 PHE 24 13.162 -0.519 12.784 168 HD2 PHE 24 HD2 PHE 24 14.530 2.603 15.430 169 HE1 PHE 24 HE1 PHE 24 10.942 -0.455 13.877 170 HE2 PHE 24 HE2 PHE 24 12.306 2.657 16.504 171 HZ PHE 24 HZ PHE 24 10.480 1.180 15.669 172 H TRP 25 H TRP 25 15.898 4.070 11.100 173 HA TRP 25 HA TRP 25 18.604 3.371 10.323 174 1HB TRP 25 HB2 TRP 25 18.241 3.141 8.144 175 2HB TRP 25 HB3 TRP 25 16.529 3.123 8.433 176 HD1 TRP 25 HD1 TRP 25 19.167 5.009 6.653 177 HE1 TRP 25 HE1 TRP 25 18.188 7.059 5.480 178 HE3 TRP 25 HE3 TRP 25 14.699 5.297 9.099 179 HZ2 TRP 25 HZ2 TRP 25 15.956 8.848 5.846 180 HZ3 TRP 25 HZ3 TRP 25 13.213 7.277 8.764 181 HH2 TRP 25 HH2 TRP 25 13.858 9.066 7.161 182 H ALA 26 H ALA 26 19.346 5.665 9.060 183 HA ALA 26 HA ALA 26 17.994 7.996 9.994 184 1HB ALA 26 HB1 ALA 26 19.343 7.587 12.040 185 2HB ALA 26 HB2 ALA 26 20.810 7.430 11.040 186 3HB ALA 26 HB3 ALA 26 19.952 8.991 11.160 187 HA PRO 27 HA PRO 27 19.909 8.778 6.102 188 1HB PRO 27 HB2 PRO 27 19.906 11.533 5.862 189 2HB PRO 27 HB3 PRO 27 18.504 10.452 5.631 190 1HG PRO 27 HG2 PRO 27 19.246 12.069 8.078 191 2HG PRO 27 HG3 PRO 27 17.620 11.803 7.366 192 1HD PRO 27 HD2 PRO 27 18.559 10.415 9.548 193 2HD PRO 27 HD3 PRO 27 17.417 9.705 8.366 194 H TRP 28 H TRP 28 21.569 9.884 8.984 195 HA TRP 28 HA TRP 28 23.991 10.629 7.592 196 1HB TRP 28 HB2 TRP 28 25.091 10.528 9.692 197 2HB TRP 28 HB3 TRP 28 23.546 11.317 9.918 198 HD1 TRP 28 HD1 TRP 28 21.901 10.259 11.622 199 HE1 TRP 28 HE1 TRP 28 22.029 8.396 13.354 200 HE3 TRP 28 HE3 TRP 28 26.263 8.045 10.094 201 HZ2 TRP 28 HZ2 TRP 28 23.724 6.112 13.916 202 HZ3 TRP 28 HZ3 TRP 28 27.087 6.006 11.225 203 HH2 TRP 28 HH2 TRP 28 25.824 5.022 13.129 204 H CYS 29 H CYS 29 22.414 7.604 8.191 205 HA CYS 29 HA CYS 29 24.514 5.869 8.758 206 1HB CYS 29 HB2 CYS 29 21.998 5.493 8.905 207 2HB CYS 29 HB3 CYS 29 21.990 5.331 7.178 208 H GLY 30 H GLY 30 25.787 4.486 7.491 209 1HA GLY 30 HA2 GLY 30 26.094 5.082 4.592 210 2HA GLY 30 HA3 GLY 30 27.218 4.189 5.622 211 HA PRO 31 HA PRO 31 25.580 0.376 4.442 212 1HB PRO 31 HB2 PRO 31 24.737 -1.101 6.640 213 2HB PRO 31 HB3 PRO 31 26.439 -0.783 6.196 214 1HG PRO 31 HG2 PRO 31 24.743 0.658 8.237 215 2HG PRO 31 HG3 PRO 31 26.450 0.142 8.367 216 1HD PRO 31 HD2 PRO 31 25.706 2.696 7.766 217 2HD PRO 31 HD3 PRO 31 27.187 1.970 7.069 218 H CYS 32 H CYS 32 23.177 2.106 6.408 219 HA CYS 32 HA CYS 32 20.873 0.681 5.638 220 1HB CYS 32 HB2 CYS 32 20.997 3.686 5.932 221 2HB CYS 32 HB3 CYS 32 19.623 2.620 6.169 222 H LYS 33 H LYS 33 22.862 3.009 3.785 223 HA LYS 33 HA LYS 33 20.881 3.492 1.763 224 1HB LYS 33 HB2 LYS 33 23.892 3.763 1.468 225 2HB LYS 33 HB3 LYS 33 22.645 4.604 0.555 226 1HG LYS 33 HG2 LYS 33 23.304 5.002 3.504 227 2HG LYS 33 HG3 LYS 33 23.744 6.071 2.182 228 1HD LYS 33 HD2 LYS 33 21.420 6.700 1.818 229 2HD LYS 33 HD3 LYS 33 20.850 5.461 2.939 230 1HE LYS 33 HE2 LYS 33 20.784 7.676 4.006 231 2HE LYS 33 HE3 LYS 33 21.896 6.567 4.838 232 1HZ LYS 33 HZ1 LYS 33 22.862 8.555 2.874 233 2HZ LYS 33 HZ2 LYS 33 22.719 8.868 4.479 234 3HZ LYS 33 HZ3 LYS 33 23.719 7.679 3.997 235 H MET 34 H MET 34 23.109 0.833 2.367 236 HA MET 34 HA MET 34 23.135 -0.162 -0.332 237 1HB MET 34 HB2 MET 34 23.569 -1.694 2.256 238 2HB MET 34 HB3 MET 34 24.025 -2.211 0.632 239 1HG MET 34 HG2 MET 34 25.573 -0.225 0.509 240 2HG MET 34 HG3 MET 34 25.198 0.116 2.196 241 1HE MET 34 HE1 MET 34 25.422 -1.924 4.073 242 2HE MET 34 HE2 MET 34 25.090 -3.331 3.044 243 3HE MET 34 HE3 MET 34 26.626 -3.224 3.923 244 H ILE 35 H ILE 35 21.155 -0.786 2.598 245 HA ILE 35 HA ILE 35 19.625 -2.809 1.201 246 HB ILE 35 HB ILE 35 20.280 -3.070 3.542 247 1HG1 ILE 35 HG12 ILE 35 17.267 -3.127 3.147 248 2HG1 ILE 35 HG13 ILE 35 18.414 -4.348 2.575 249 1HG2 ILE 35 HG21 ILE 35 19.131 -1.878 5.351 250 2HG2 ILE 35 HG22 ILE 35 20.041 -0.789 4.326 251 3HG2 ILE 35 HG23 ILE 35 18.267 -0.878 4.161 252 1HD1 ILE 35 HD11 ILE 35 19.104 -4.657 5.018 253 2HD1 ILE 35 HD12 ILE 35 17.709 -3.635 5.436 254 3HD1 ILE 35 HD13 ILE 35 17.462 -5.174 4.599 255 H ALA 36 H ALA 36 19.229 0.660 1.769 256 HA ALA 36 HA ALA 36 16.526 0.982 1.554 257 1HB ALA 36 HB1 ALA 36 18.053 2.832 1.886 258 2HB ALA 36 HB2 ALA 36 18.671 2.686 0.229 259 3HB ALA 36 HB3 ALA 36 16.987 3.173 0.510 260 HA PRO 37 HA PRO 37 16.267 0.590 -3.181 261 1HB PRO 37 HB2 PRO 37 18.214 -0.739 -4.615 262 2HB PRO 37 HB3 PRO 37 18.182 1.032 -4.360 263 1HG PRO 37 HG2 PRO 37 19.724 -1.049 -2.783 264 2HG PRO 37 HG3 PRO 37 20.326 0.499 -3.457 265 1HD PRO 37 HD2 PRO 37 19.599 0.309 -0.872 266 2HD PRO 37 HD3 PRO 37 19.185 1.765 -1.815 267 H VAL 38 H VAL 38 17.725 -1.959 -1.200 268 HA VAL 38 HA VAL 38 16.415 -4.125 -2.567 269 HB VAL 38 HB VAL 38 17.504 -4.103 0.272 270 1HG1 VAL 38 HG11 VAL 38 16.999 -6.352 -1.725 271 2HG1 VAL 38 HG12 VAL 38 17.801 -6.523 -0.135 272 3HG1 VAL 38 HG13 VAL 38 16.108 -6.042 -0.213 273 1HG2 VAL 38 HG21 VAL 38 18.948 -4.769 -2.335 274 2HG2 VAL 38 HG22 VAL 38 19.323 -3.409 -1.255 275 3HG2 VAL 38 HG23 VAL 38 19.579 -5.060 -0.700 276 H LEU 39 H LEU 39 15.625 -1.997 0.263 277 HA LEU 39 HA LEU 39 13.097 -3.238 0.761 278 1HB LEU 39 HB2 LEU 39 14.049 -0.398 1.302 279 2HB LEU 39 HB3 LEU 39 12.514 -1.050 1.858 280 HG LEU 39 HG LEU 39 15.246 -2.142 2.628 281 1HD1 LEU 39 HD11 LEU 39 14.807 0.090 3.569 282 2HD1 LEU 39 HD12 LEU 39 13.261 -0.481 4.232 283 3HD1 LEU 39 HD13 LEU 39 14.796 -1.153 4.828 284 1HD2 LEU 39 HD21 LEU 39 13.566 -3.932 2.703 285 2HD2 LEU 39 HD22 LEU 39 13.989 -3.438 4.345 286 3HD2 LEU 39 HD23 LEU 39 12.458 -2.890 3.623 287 H GLU 40 H GLU 40 14.036 -0.558 -1.469 288 HA GLU 40 HA GLU 40 11.384 -0.122 -2.403 289 1HB GLU 40 HB2 GLU 40 14.049 0.215 -3.822 290 2HB GLU 40 HB3 GLU 40 12.494 0.678 -4.519 291 1HG GLU 40 HG2 GLU 40 12.068 2.192 -2.604 292 2HG GLU 40 HG3 GLU 40 13.638 1.782 -1.919 293 H GLU 41 H GLU 41 13.835 -2.514 -3.471 294 HA GLU 41 HA GLU 41 12.222 -3.716 -5.481 295 1HB GLU 41 HB2 GLU 41 14.551 -4.614 -3.783 296 2HB GLU 41 HB3 GLU 41 13.661 -5.817 -4.695 297 1HG GLU 41 HG2 GLU 41 14.854 -3.311 -5.950 298 2HG GLU 41 HG3 GLU 41 15.706 -4.851 -5.829 299 H LEU 42 H LEU 42 12.500 -4.394 -1.988 300 HA LEU 42 HA LEU 42 10.717 -6.569 -1.892 301 1HB LEU 42 HB2 LEU 42 12.301 -5.391 -0.051 302 2HB LEU 42 HB3 LEU 42 10.820 -4.572 0.374 303 HG LEU 42 HG LEU 42 11.572 -7.493 0.571 304 1HD1 LEU 42 HD11 LEU 42 10.719 -7.172 2.874 305 2HD1 LEU 42 HD12 LEU 42 11.974 -5.982 2.468 306 3HD1 LEU 42 HD13 LEU 42 10.261 -5.509 2.476 307 1HD2 LEU 42 HD21 LEU 42 8.705 -6.495 0.649 308 2HD2 LEU 42 HD22 LEU 42 9.396 -7.701 -0.458 309 3HD2 LEU 42 HD23 LEU 42 9.249 -8.073 1.263 310 H ASP 43 H ASP 43 10.095 -3.041 -1.567 311 HA ASP 43 HA ASP 43 7.324 -3.158 -1.091 312 1HB ASP 43 HB2 ASP 43 8.784 -1.105 -0.929 313 2HB ASP 43 HB3 ASP 43 8.795 -1.031 -2.703 314 H GLN 44 H GLN 44 9.140 -3.047 -4.150 315 HA GLN 44 HA GLN 44 6.789 -2.978 -5.799 316 1HB GLN 44 HB2 GLN 44 9.720 -3.519 -6.370 317 2HB GLN 44 HB3 GLN 44 8.487 -3.439 -7.637 318 1HG GLN 44 HG2 GLN 44 7.930 -1.152 -7.110 319 2HG GLN 44 HG3 GLN 44 8.905 -1.162 -5.640 320 1HE2 GLN 44 HE22 GLN 44 11.230 -1.330 -5.841 321 2HE2 GLN 44 HE21 GLN 44 12.056 -0.761 -7.293 322 H GLU 45 H GLU 45 8.146 -5.545 -4.023 323 HA GLU 45 HA GLU 45 7.131 -7.667 -5.837 324 1HB GLU 45 HB2 GLU 45 8.951 -7.649 -3.415 325 2HB GLU 45 HB3 GLU 45 8.380 -9.131 -4.166 326 1HG GLU 45 HG2 GLU 45 9.803 -7.066 -5.873 327 2HG GLU 45 HG3 GLU 45 10.727 -8.065 -4.756 328 H MET 46 H MET 46 6.682 -6.236 -2.604 329 HA MET 46 HA MET 46 4.421 -8.139 -2.122 330 1HB MET 46 HB2 MET 46 6.365 -6.935 -0.122 331 2HB MET 46 HB3 MET 46 5.118 -8.133 0.213 332 1HG MET 46 HG2 MET 46 7.590 -8.515 -1.514 333 2HG MET 46 HG3 MET 46 7.324 -9.155 0.101 334 1HE MET 46 HE1 MET 46 6.126 -11.230 0.682 335 2HE MET 46 HE2 MET 46 4.586 -10.425 0.245 336 3HE MET 46 HE3 MET 46 4.930 -12.071 -0.341 337 H GLY 47 H GLY 47 4.982 -4.808 -2.572 338 1HA GLY 47 HA2 GLY 47 3.712 -3.585 -0.432 339 2HA GLY 47 HA3 GLY 47 3.798 -2.948 -2.080 340 H ASP 48 H ASP 48 2.120 -5.617 -2.670 341 HA ASP 48 HA ASP 48 -0.495 -4.396 -2.679 342 1HB ASP 48 HB2 ASP 48 0.187 -6.028 -4.386 343 2HB ASP 48 HB3 ASP 48 0.387 -7.267 -3.143 344 H LYS 49 H LYS 49 1.328 -6.472 -0.501 345 HA LYS 49 HA LYS 49 -0.993 -6.683 1.379 346 1HB LYS 49 HB2 LYS 49 1.400 -8.552 1.009 347 2HB LYS 49 HB3 LYS 49 0.102 -8.754 2.180 348 1HG LYS 49 HG2 LYS 49 -0.214 -8.874 -0.846 349 2HG LYS 49 HG3 LYS 49 -0.133 -10.252 0.254 350 1HD LYS 49 HD2 LYS 49 -2.205 -9.436 1.408 351 2HD LYS 49 HD3 LYS 49 -2.327 -8.133 0.202 352 1HE LYS 49 HE2 LYS 49 -2.407 -9.833 -1.611 353 2HE LYS 49 HE3 LYS 49 -2.325 -11.122 -0.402 354 1HZ LYS 49 HZ1 LYS 49 -4.595 -10.704 -1.095 355 2HZ LYS 49 HZ2 LYS 49 -4.445 -10.328 0.482 356 3HZ LYS 49 HZ3 LYS 49 -4.516 -9.142 -0.644 357 H LEU 50 H LEU 50 2.355 -5.709 0.934 358 HA LEU 50 HA LEU 50 2.811 -5.568 3.840 359 1HB LEU 50 HB2 LEU 50 4.372 -6.741 2.251 360 2HB LEU 50 HB3 LEU 50 4.680 -5.197 1.460 361 HG LEU 50 HG LEU 50 5.726 -4.329 3.534 362 1HD1 LEU 50 HD11 LEU 50 5.180 -7.125 4.627 363 2HD1 LEU 50 HD12 LEU 50 6.245 -5.923 5.385 364 3HD1 LEU 50 HD13 LEU 50 4.521 -5.605 5.259 365 1HD2 LEU 50 HD21 LEU 50 7.736 -5.740 3.467 366 2HD2 LEU 50 HD22 LEU 50 6.831 -6.980 2.566 367 3HD2 LEU 50 HD23 LEU 50 7.105 -5.373 1.856 368 H LYS 51 H LYS 51 3.889 -3.682 4.744 369 HA LYS 51 HA LYS 51 3.831 -1.156 3.221 370 1HB LYS 51 HB2 LYS 51 1.807 -1.146 4.722 371 2HB LYS 51 HB3 LYS 51 2.847 -1.532 6.094 372 1HG LYS 51 HG2 LYS 51 4.121 0.662 5.551 373 2HG LYS 51 HG3 LYS 51 2.788 1.042 4.463 374 1HD LYS 51 HD2 LYS 51 2.591 0.493 7.463 375 2HD LYS 51 HD3 LYS 51 2.615 2.089 6.708 376 1HE LYS 51 HE2 LYS 51 0.502 1.535 5.489 377 2HE LYS 51 HE3 LYS 51 0.450 -0.035 6.320 378 1HZ LYS 51 HZ1 LYS 51 0.342 1.144 8.412 379 2HZ LYS 51 HZ2 LYS 51 0.427 2.607 7.660 380 3HZ LYS 51 HZ3 LYS 51 -0.898 1.650 7.448 381 H ILE 52 H ILE 52 5.728 0.060 3.792 382 HA ILE 52 HA ILE 52 7.598 -1.321 5.653 383 HB ILE 52 HB ILE 52 8.240 0.032 3.017 384 1HG1 ILE 52 HG12 ILE 52 8.515 -2.865 3.933 385 2HG1 ILE 52 HG13 ILE 52 7.359 -2.247 2.756 386 1HG2 ILE 52 HG21 ILE 52 10.602 -0.447 3.459 387 2HG2 ILE 52 HG22 ILE 52 9.966 0.566 4.742 388 3HG2 ILE 52 HG23 ILE 52 10.192 -1.175 5.025 389 1HD1 ILE 52 HD11 ILE 52 9.060 -3.308 1.514 390 2HD1 ILE 52 HD12 ILE 52 9.303 -1.565 1.292 391 3HD1 ILE 52 HD13 ILE 52 10.355 -2.486 2.393 392 H VAL 53 H VAL 53 8.549 0.091 7.171 393 HA VAL 53 HA VAL 53 7.545 2.919 7.099 394 HB VAL 53 HB VAL 53 7.254 0.907 9.368 395 1HG1 VAL 53 HG11 VAL 53 6.581 3.887 9.284 396 2HG1 VAL 53 HG12 VAL 53 6.123 2.765 10.587 397 3HG1 VAL 53 HG13 VAL 53 7.825 3.131 10.304 398 1HG2 VAL 53 HG21 VAL 53 5.187 2.440 7.726 399 2HG2 VAL 53 HG22 VAL 53 5.512 0.702 7.633 400 3HG2 VAL 53 HG23 VAL 53 4.842 1.392 9.114 401 H LYS 54 H LYS 54 9.475 3.884 6.664 402 HA LYS 54 HA LYS 54 11.921 3.064 8.066 403 1HB LYS 54 HB2 LYS 54 11.332 5.488 6.314 404 2HB LYS 54 HB3 LYS 54 12.922 5.005 6.924 405 1HG LYS 54 HG2 LYS 54 12.757 2.872 5.658 406 2HG LYS 54 HG3 LYS 54 11.173 3.337 5.056 407 1HD LYS 54 HD2 LYS 54 12.900 3.726 3.362 408 2HD LYS 54 HD3 LYS 54 12.100 5.217 3.846 409 1HE LYS 54 HE2 LYS 54 14.413 5.703 3.629 410 2HE LYS 54 HE3 LYS 54 14.020 5.759 5.346 411 1HZ LYS 54 HZ1 LYS 54 16.069 4.575 5.047 412 2HZ LYS 54 HZ2 LYS 54 14.980 3.434 5.488 413 3HZ LYS 54 HZ3 LYS 54 15.434 3.570 3.927 414 H ILE 55 H ILE 55 12.782 4.110 9.900 415 HA ILE 55 HA ILE 55 11.412 6.526 10.885 416 HB ILE 55 HB ILE 55 10.109 4.876 11.920 417 1HG1 ILE 55 HG12 ILE 55 12.109 5.721 14.051 418 2HG1 ILE 55 HG13 ILE 55 11.006 6.850 13.262 419 1HG2 ILE 55 HG21 ILE 55 11.533 2.867 11.691 420 2HG2 ILE 55 HG22 ILE 55 12.607 3.491 12.963 421 3HG2 ILE 55 HG23 ILE 55 10.933 3.052 13.335 422 1HD1 ILE 55 HD11 ILE 55 10.162 4.433 14.908 423 2HD1 ILE 55 HD12 ILE 55 10.063 6.136 15.382 424 3HD1 ILE 55 HD13 ILE 55 9.060 5.541 14.051 425 H ASP 56 H ASP 56 12.757 7.955 11.602 426 HA ASP 56 HA ASP 56 15.602 7.464 11.244 427 1HB ASP 56 HB2 ASP 56 14.568 9.384 10.206 428 2HB ASP 56 HB3 ASP 56 14.004 9.981 11.771 429 H VAL 57 H VAL 57 16.622 6.558 13.012 430 HA VAL 57 HA VAL 57 15.652 6.814 15.672 431 HB VAL 57 HB VAL 57 17.671 5.687 16.377 432 1HG1 VAL 57 HG11 VAL 57 16.664 4.480 13.764 433 2HG1 VAL 57 HG12 VAL 57 17.373 3.625 15.151 434 3HG1 VAL 57 HG13 VAL 57 15.802 4.434 15.314 435 1HG2 VAL 57 HG21 VAL 57 19.454 5.023 14.845 436 2HG2 VAL 57 HG22 VAL 57 18.711 5.943 13.527 437 3HG2 VAL 57 HG23 VAL 57 19.372 6.785 14.942 438 H ASP 58 H ASP 58 17.571 9.085 13.819 439 HA ASP 58 HA ASP 58 18.919 10.304 16.071 440 1HB ASP 58 HB2 ASP 58 19.653 10.555 13.701 441 2HB ASP 58 HB3 ASP 58 18.200 11.515 13.382 442 H GLU 59 H GLU 59 15.628 10.309 15.020 443 HA GLU 59 HA GLU 59 15.014 12.544 16.919 444 1HB GLU 59 HB2 GLU 59 13.596 11.756 14.344 445 2HB GLU 59 HB3 GLU 59 13.006 12.952 15.507 446 1HG GLU 59 HG2 GLU 59 15.177 14.227 15.176 447 2HG GLU 59 HG3 GLU 59 15.530 13.150 13.824 448 H ASN 60 H ASN 60 15.020 9.272 16.740 449 HA ASN 60 HA ASN 60 12.500 8.938 18.288 450 1HB ASN 60 HB2 ASN 60 13.257 7.334 15.808 451 2HB ASN 60 HB3 ASN 60 11.951 6.937 16.912 452 1HD2 ASN 60 HD22 ASN 60 12.917 9.049 14.306 453 2HD2 ASN 60 HD21 ASN 60 11.363 9.842 14.117 454 H GLN 61 H GLN 61 15.097 9.021 19.378 455 HA GLN 61 HA GLN 61 16.294 6.516 19.834 456 1HB GLN 61 HB2 GLN 61 15.900 8.802 21.823 457 2HB GLN 61 HB3 GLN 61 17.009 7.445 21.998 458 1HG GLN 61 HG2 GLN 61 18.512 8.919 21.166 459 2HG GLN 61 HG3 GLN 61 17.912 8.285 19.635 460 1HE2 GLN 61 HE22 GLN 61 17.149 9.741 18.172 461 2HE2 GLN 61 HE21 GLN 61 16.899 11.444 18.495 462 H GLU 62 H GLU 62 13.261 7.873 21.129 463 HA GLU 62 HA GLU 62 12.929 6.063 23.277 464 1HB GLU 62 HB2 GLU 62 10.726 7.402 21.625 465 2HB GLU 62 HB3 GLU 62 10.608 6.762 23.260 466 1HG GLU 62 HG2 GLU 62 10.858 8.928 23.822 467 2HG GLU 62 HG3 GLU 62 12.568 8.541 23.734 468 H THR 63 H THR 63 11.595 5.949 19.893 469 HA THR 63 HA THR 63 10.365 3.433 20.242 470 HB THR 63 HB THR 63 11.300 4.359 17.571 471 HG1 THR 63 HG1 THR 63 9.706 5.993 17.545 472 1HG2 THR 63 HG21 THR 63 8.552 3.507 18.576 473 2HG2 THR 63 HG22 THR 63 9.003 3.802 16.879 474 3HG2 THR 63 HG23 THR 63 9.727 2.457 17.759 475 H ALA 64 H ALA 64 13.612 4.380 19.009 476 HA ALA 64 HA ALA 64 14.520 1.767 18.338 477 1HB ALA 64 HB1 ALA 64 16.047 4.175 19.462 478 2HB ALA 64 HB2 ALA 64 16.801 2.769 18.707 479 3HB ALA 64 HB3 ALA 64 15.754 3.830 17.744 480 H GLY 65 H GLY 65 14.620 3.523 21.489 481 1HA GLY 65 HA2 GLY 65 15.869 1.477 22.998 482 2HA GLY 65 HA3 GLY 65 14.831 2.776 23.617 483 H LYS 66 H LYS 66 12.503 1.903 21.964 484 HA LYS 66 HA LYS 66 11.142 0.276 23.769 485 1HB LYS 66 HB2 LYS 66 10.261 1.815 21.920 486 2HB LYS 66 HB3 LYS 66 10.516 0.469 20.809 487 1HG LYS 66 HG2 LYS 66 8.931 -0.923 21.946 488 2HG LYS 66 HG3 LYS 66 8.811 0.205 23.316 489 1HD LYS 66 HD2 LYS 66 7.773 1.894 21.950 490 2HD LYS 66 HD3 LYS 66 8.072 0.970 20.467 491 1HE LYS 66 HE2 LYS 66 6.594 -0.856 21.330 492 2HE LYS 66 HE3 LYS 66 6.251 0.119 22.765 493 1HZ LYS 66 HZ1 LYS 66 4.519 0.353 21.106 494 2HZ LYS 66 HZ2 LYS 66 5.260 1.789 21.297 495 3HZ LYS 66 HZ3 LYS 66 5.574 0.871 19.977 496 H TYR 67 H TYR 67 13.176 -0.686 21.011 497 HA TYR 67 HA TYR 67 12.699 -3.549 21.758 498 1HB TYR 67 HB2 TYR 67 13.659 -2.757 19.039 499 2HB TYR 67 HB3 TYR 67 12.768 -4.184 19.537 500 HD1 TYR 67 HD1 TYR 67 10.251 -3.869 20.173 501 HD2 TYR 67 HD2 TYR 67 12.605 -0.813 18.240 502 HE1 TYR 67 HE1 TYR 67 8.175 -2.669 19.526 503 HE2 TYR 67 HE2 TYR 67 10.593 0.412 17.676 504 HH TYR 67 HH TYR 67 8.221 0.428 17.719 505 H GLY 68 H GLY 68 14.937 -1.266 22.334 506 1HA GLY 68 HA2 GLY 68 17.180 -1.261 22.748 507 2HA GLY 68 HA3 GLY 68 17.124 -3.033 22.751 508 H VAL 69 H VAL 69 16.397 -0.726 20.087 509 HA VAL 69 HA VAL 69 18.016 -2.104 18.123 510 HB VAL 69 HB VAL 69 16.699 0.639 18.148 511 1HG1 VAL 69 HG11 VAL 69 16.903 0.505 15.653 512 2HG1 VAL 69 HG12 VAL 69 18.451 0.694 16.478 513 3HG1 VAL 69 HG13 VAL 69 17.978 -0.897 15.866 514 1HG2 VAL 69 HG21 VAL 69 14.999 -0.471 16.671 515 2HG2 VAL 69 HG22 VAL 69 15.793 -2.026 16.988 516 3HG2 VAL 69 HG23 VAL 69 15.033 -1.116 18.306 517 H MET 70 H MET 70 20.043 -2.345 18.878 518 HA MET 70 HA MET 70 21.568 -0.325 20.177 519 1HB MET 70 HB2 MET 70 23.331 -1.946 20.144 520 2HB MET 70 HB3 MET 70 21.819 -2.753 20.540 521 1HG MET 70 HG2 MET 70 23.292 -2.830 17.884 522 2HG MET 70 HG3 MET 70 23.260 -4.102 19.079 523 1HE MET 70 HE1 MET 70 19.771 -5.718 18.723 524 2HE MET 70 HE2 MET 70 21.435 -5.920 19.315 525 3HE MET 70 HE3 MET 70 20.407 -4.630 19.976 526 H SER 71 H SER 71 21.217 -1.253 16.822 527 HA SER 71 HA SER 71 23.086 0.801 15.885 528 1HB SER 71 HB2 SER 71 23.251 -2.159 15.138 529 2HB SER 71 HB3 SER 71 24.202 -0.862 14.398 530 HG SER 71 HG SER 71 25.384 -1.940 16.008 531 H ILE 72 H ILE 72 22.995 0.698 13.314 532 HA ILE 72 HA ILE 72 20.361 -0.101 12.326 533 HB ILE 72 HB ILE 72 20.110 2.029 11.115 534 1HG1 ILE 72 HG12 ILE 72 22.240 3.173 12.985 535 2HG1 ILE 72 HG13 ILE 72 22.510 2.805 11.283 536 1HG2 ILE 72 HG21 ILE 72 18.913 1.498 13.262 537 2HG2 ILE 72 HG22 ILE 72 20.124 2.463 14.127 538 3HG2 ILE 72 HG23 ILE 72 19.060 3.222 12.926 539 1HD1 ILE 72 HD11 ILE 72 22.081 5.182 11.537 540 2HD1 ILE 72 HD12 ILE 72 20.758 4.422 10.639 541 3HD1 ILE 72 HD13 ILE 72 20.542 4.871 12.345 542 HA PRO 73 HA PRO 73 19.460 0.324 9.928 543 1HB PRO 73 HB2 PRO 73 19.028 -1.612 8.054 544 2HB PRO 73 HB3 PRO 73 19.692 -0.003 7.655 545 1HG PRO 73 HG2 PRO 73 21.204 -2.593 8.100 546 2HG PRO 73 HG3 PRO 73 21.414 -1.408 6.774 547 1HD PRO 73 HD2 PRO 73 23.027 -1.428 8.982 548 2HD PRO 73 HD3 PRO 73 22.554 0.097 8.181 549 H THR 74 H THR 74 17.841 -0.715 11.019 550 HA THR 74 HA THR 74 18.171 -3.600 11.707 551 HB THR 74 HB THR 74 17.641 -1.295 13.613 552 HG1 THR 74 HG1 THR 74 19.598 -1.720 14.147 553 1HG2 THR 74 HG21 THR 74 17.356 -3.094 15.379 554 2HG2 THR 74 HG22 THR 74 16.004 -2.937 14.251 555 3HG2 THR 74 HG23 THR 74 17.159 -4.270 14.071 556 H LEU 75 H LEU 75 16.240 -4.727 11.618 557 HA LEU 75 HA LEU 75 13.969 -3.193 10.453 558 1HB LEU 75 HB2 LEU 75 14.810 -6.027 9.820 559 2HB LEU 75 HB3 LEU 75 13.375 -5.212 9.258 560 HG LEU 75 HG LEU 75 14.707 -5.057 7.453 561 1HD1 LEU 75 HD11 LEU 75 15.465 -2.435 8.706 562 2HD1 LEU 75 HD12 LEU 75 15.356 -2.831 6.984 563 3HD1 LEU 75 HD13 LEU 75 13.886 -2.823 7.976 564 1HD2 LEU 75 HD21 LEU 75 17.165 -4.313 9.088 565 2HD2 LEU 75 HD22 LEU 75 16.786 -5.944 8.496 566 3HD2 LEU 75 HD23 LEU 75 17.097 -4.641 7.352 567 H LEU 76 H LEU 76 12.002 -3.528 11.407 568 HA LEU 76 HA LEU 76 11.750 -5.651 13.523 569 1HB LEU 76 HB2 LEU 76 10.884 -2.732 13.563 570 2HB LEU 76 HB3 LEU 76 10.003 -3.945 14.456 571 HG LEU 76 HG LEU 76 11.572 -2.597 15.840 572 1HD1 LEU 76 HD11 LEU 76 12.074 -5.607 15.722 573 2HD1 LEU 76 HD12 LEU 76 12.495 -4.547 17.082 574 3HD1 LEU 76 HD13 LEU 76 10.803 -4.762 16.621 575 1HD2 LEU 76 HD21 LEU 76 13.914 -2.885 15.792 576 2HD2 LEU 76 HD22 LEU 76 13.830 -4.161 14.567 577 3HD2 LEU 76 HD23 LEU 76 13.430 -2.491 14.131 578 H VAL 77 H VAL 77 10.252 -7.058 12.772 579 HA VAL 77 HA VAL 77 8.376 -6.114 10.648 580 HB VAL 77 HB VAL 77 8.670 -8.982 11.539 581 1HG1 VAL 77 HG11 VAL 77 7.745 -9.442 9.312 582 2HG1 VAL 77 HG12 VAL 77 6.701 -8.323 10.203 583 3HG1 VAL 77 HG13 VAL 77 7.766 -7.707 8.924 584 1HG2 VAL 77 HG21 VAL 77 10.164 -9.376 9.555 585 2HG2 VAL 77 HG22 VAL 77 10.340 -7.619 9.380 586 3HG2 VAL 77 HG23 VAL 77 10.947 -8.439 10.830 587 H LEU 78 H LEU 78 6.398 -5.577 11.425 588 HA LEU 78 HA LEU 78 5.596 -6.582 14.108 589 1HB LEU 78 HB2 LEU 78 4.928 -3.905 12.799 590 2HB LEU 78 HB3 LEU 78 4.104 -4.576 14.197 591 HG LEU 78 HG LEU 78 6.568 -4.734 15.203 592 1HD1 LEU 78 HD11 LEU 78 7.922 -2.755 14.595 593 2HD1 LEU 78 HD12 LEU 78 7.776 -3.897 13.256 594 3HD1 LEU 78 HD13 LEU 78 6.816 -2.415 13.248 595 1HD2 LEU 78 HD21 LEU 78 4.689 -3.478 16.192 596 2HD2 LEU 78 HD22 LEU 78 6.234 -2.643 16.357 597 3HD2 LEU 78 HD23 LEU 78 5.065 -2.104 15.138 598 H LYS 79 H LYS 79 3.385 -7.087 14.302 599 HA LYS 79 HA LYS 79 1.846 -7.430 11.774 600 1HB LYS 79 HB2 LYS 79 2.947 -9.586 12.380 601 2HB LYS 79 HB3 LYS 79 2.198 -9.507 13.983 602 1HG LYS 79 HG2 LYS 79 -0.068 -9.499 12.800 603 2HG LYS 79 HG3 LYS 79 0.805 -9.710 11.280 604 1HD LYS 79 HD2 LYS 79 -0.009 -11.868 12.001 605 2HD LYS 79 HD3 LYS 79 1.745 -11.843 12.106 606 1HE LYS 79 HE2 LYS 79 0.890 -12.989 14.032 607 2HE LYS 79 HE3 LYS 79 1.611 -11.473 14.564 608 1HZ LYS 79 HZ1 LYS 79 -1.298 -11.945 14.199 609 2HZ LYS 79 HZ2 LYS 79 -0.525 -11.919 15.629 610 3HZ LYS 79 HZ3 LYS 79 -0.635 -10.552 14.750 611 H ASP 80 H ASP 80 0.185 -6.086 12.097 612 HA ASP 80 HA ASP 80 -1.508 -4.952 13.031 613 1HB ASP 80 HB2 ASP 80 -2.441 -7.219 12.903 614 2HB ASP 80 HB3 ASP 80 -1.931 -7.533 14.563 615 H GLY 81 H GLY 81 0.883 -4.233 14.139 616 1HA GLY 81 HA2 GLY 81 1.148 -2.446 15.572 617 2HA GLY 81 HA3 GLY 81 -0.113 -3.053 16.636 618 H GLU 82 H GLU 82 1.852 -5.760 16.282 619 HA GLU 82 HA GLU 82 3.754 -4.876 18.392 620 1HB GLU 82 HB2 GLU 82 3.252 -6.787 19.674 621 2HB GLU 82 HB3 GLU 82 1.712 -6.034 19.228 622 1HG GLU 82 HG2 GLU 82 1.367 -7.743 17.478 623 2HG GLU 82 HG3 GLU 82 2.897 -8.512 17.911 624 H VAL 83 H VAL 83 5.761 -6.069 18.470 625 HA VAL 83 HA VAL 83 6.825 -6.697 15.881 626 HB VAL 83 HB VAL 83 8.017 -7.335 18.599 627 1HG1 VAL 83 HG11 VAL 83 9.281 -6.894 15.841 628 2HG1 VAL 83 HG12 VAL 83 10.173 -7.122 17.361 629 3HG1 VAL 83 HG13 VAL 83 9.190 -8.434 16.721 630 1HG2 VAL 83 HG21 VAL 83 9.214 -5.183 18.376 631 2HG2 VAL 83 HG22 VAL 83 8.257 -4.783 16.937 632 3HG2 VAL 83 HG23 VAL 83 7.480 -4.927 18.530 633 H VAL 84 H VAL 84 6.966 -8.465 14.813 634 HA VAL 84 HA VAL 84 6.322 -11.048 16.113 635 HB VAL 84 HB VAL 84 4.660 -10.003 14.452 636 1HG1 VAL 84 HG11 VAL 84 6.169 -9.356 12.638 637 2HG1 VAL 84 HG12 VAL 84 6.654 -11.052 12.403 638 3HG1 VAL 84 HG13 VAL 84 4.992 -10.544 12.076 639 1HG2 VAL 84 HG21 VAL 84 4.465 -12.251 15.301 640 2HG2 VAL 84 HG22 VAL 84 4.040 -12.202 13.583 641 3HG2 VAL 84 HG23 VAL 84 5.625 -12.839 14.093 642 H GLU 85 H GLU 85 8.685 -9.215 14.122 643 HA GLU 85 HA GLU 85 10.608 -11.330 14.752 644 1HB GLU 85 HB2 GLU 85 10.032 -10.594 11.850 645 2HB GLU 85 HB3 GLU 85 11.526 -11.328 12.355 646 1HG GLU 85 HG2 GLU 85 8.788 -12.626 12.607 647 2HG GLU 85 HG3 GLU 85 9.926 -12.876 11.312 648 H THR 86 H THR 86 12.884 -10.579 14.263 649 HA THR 86 HA THR 86 13.200 -7.676 13.829 650 HB THR 86 HB THR 86 14.494 -9.190 16.133 651 HG1 THR 86 HG1 THR 86 12.279 -8.915 16.510 652 1HG2 THR 86 HG21 THR 86 15.844 -7.286 15.460 653 2HG2 THR 86 HG22 THR 86 14.422 -6.227 15.433 654 3HG2 THR 86 HG23 THR 86 15.024 -6.880 16.972 655 H SER 87 H SER 87 15.190 -7.219 12.798 656 HA SER 87 HA SER 87 17.253 -9.318 12.519 657 1HB SER 87 HB2 SER 87 16.052 -7.824 10.144 658 2HB SER 87 HB3 SER 87 17.359 -9.012 10.096 659 HG SER 87 HG SER 87 15.320 -9.889 9.506 660 H VAL 88 H VAL 88 19.362 -8.341 12.016 661 HA VAL 88 HA VAL 88 19.487 -5.368 12.231 662 HB VAL 88 HB VAL 88 21.150 -7.400 13.761 663 1HG1 VAL 88 HG11 VAL 88 22.080 -5.423 14.954 664 2HG1 VAL 88 HG12 VAL 88 22.492 -5.415 13.240 665 3HG1 VAL 88 HG13 VAL 88 21.201 -4.352 13.845 666 1HG2 VAL 88 HG21 VAL 88 18.911 -7.233 14.773 667 2HG2 VAL 88 HG22 VAL 88 20.109 -6.455 15.804 668 3HG2 VAL 88 HG23 VAL 88 19.043 -5.460 14.794 669 H GLY 89 H GLY 89 21.070 -4.448 10.932 670 1HA GLY 89 HA2 GLY 89 22.891 -4.312 9.522 671 2HA GLY 89 HA3 GLY 89 23.182 -6.049 9.679 672 H PHE 90 H PHE 90 23.513 -5.347 7.238 673 HA PHE 90 HA PHE 90 21.274 -4.988 5.527 674 1HB PHE 90 HB2 PHE 90 23.621 -4.566 4.846 675 2HB PHE 90 HB3 PHE 90 23.998 -6.277 5.021 676 HD1 PHE 90 HD1 PHE 90 23.180 -7.947 3.373 677 HD2 PHE 90 HD2 PHE 90 22.389 -3.732 2.894 678 HE1 PHE 90 HE1 PHE 90 22.463 -8.346 1.032 679 HE2 PHE 90 HE2 PHE 90 21.686 -4.140 0.544 680 HZ PHE 90 HZ PHE 90 21.713 -6.444 -0.384 681 H LYS 91 H LYS 91 20.079 -6.390 4.257 682 HA LYS 91 HA LYS 91 20.174 -9.247 4.796 683 1HB LYS 91 HB2 LYS 91 18.559 -7.562 6.412 684 2HB LYS 91 HB3 LYS 91 17.460 -8.061 5.156 685 1HG LYS 91 HG2 LYS 91 17.308 -9.504 7.091 686 2HG LYS 91 HG3 LYS 91 17.841 -10.408 5.670 687 1HD LYS 91 HD2 LYS 91 19.038 -11.159 7.666 688 2HD LYS 91 HD3 LYS 91 20.157 -10.429 6.529 689 1HE LYS 91 HE2 LYS 91 19.696 -8.222 7.968 690 2HE LYS 91 HE3 LYS 91 19.156 -9.384 9.188 691 1HZ LYS 91 HZ1 LYS 91 21.456 -8.875 9.475 692 2HZ LYS 91 HZ2 LYS 91 21.391 -10.431 8.951 693 3HZ LYS 91 HZ3 LYS 91 21.809 -9.215 7.908 694 HA PRO 92 HA PRO 92 18.944 -8.692 0.541 695 1HB PRO 92 HB2 PRO 92 18.511 -11.267 -0.261 696 2HB PRO 92 HB3 PRO 92 20.142 -10.628 0.104 697 1HG PRO 92 HG2 PRO 92 18.328 -12.238 1.922 698 2HG PRO 92 HG3 PRO 92 20.068 -12.499 1.585 699 1HD PRO 92 HD2 PRO 92 19.190 -11.143 3.796 700 2HD PRO 92 HD3 PRO 92 20.701 -10.691 2.951 701 H LYS 93 H LYS 93 17.083 -8.780 -0.802 702 HA LYS 93 HA LYS 93 14.583 -8.438 0.443 703 1HB LYS 93 HB2 LYS 93 13.635 -8.638 -1.879 704 2HB LYS 93 HB3 LYS 93 14.884 -7.425 -1.677 705 1HG LYS 93 HG2 LYS 93 16.565 -8.981 -2.680 706 2HG LYS 93 HG3 LYS 93 15.297 -10.187 -2.921 707 1HD LYS 93 HD2 LYS 93 15.340 -7.398 -4.146 708 2HD LYS 93 HD3 LYS 93 15.900 -8.874 -4.946 709 1HE LYS 93 HE2 LYS 93 13.545 -9.847 -4.442 710 2HE LYS 93 HE3 LYS 93 13.044 -8.180 -4.141 711 1HZ LYS 93 HZ1 LYS 93 14.198 -9.195 -6.678 712 2HZ LYS 93 HZ2 LYS 93 12.611 -8.931 -6.409 713 3HZ LYS 93 HZ3 LYS 93 13.665 -7.661 -6.450 714 H GLU 94 H GLU 94 16.026 -11.419 -0.837 715 HA GLU 94 HA GLU 94 13.625 -12.941 -0.833 716 1HB GLU 94 HB2 GLU 94 15.715 -13.568 -2.008 717 2HB GLU 94 HB3 GLU 94 16.509 -13.862 -0.454 718 1HG GLU 94 HG2 GLU 94 14.894 -15.669 0.045 719 2HG GLU 94 HG3 GLU 94 14.013 -15.316 -1.444 720 H ALA 95 H ALA 95 16.173 -12.524 1.707 721 HA ALA 95 HA ALA 95 14.941 -14.265 3.588 722 1HB ALA 95 HB1 ALA 95 16.404 -13.133 5.243 723 2HB ALA 95 HB2 ALA 95 17.298 -13.584 3.779 724 3HB ALA 95 HB3 ALA 95 16.804 -11.891 4.040 725 H LEU 96 H LEU 96 14.737 -10.732 3.084 726 HA LEU 96 HA LEU 96 12.969 -10.237 5.252 727 1HB LEU 96 HB2 LEU 96 13.253 -8.718 2.633 728 2HB LEU 96 HB3 LEU 96 12.358 -8.162 4.048 729 HG LEU 96 HG LEU 96 15.360 -8.635 3.951 730 1HD1 LEU 96 HD11 LEU 96 13.742 -6.062 4.144 731 2HD1 LEU 96 HD12 LEU 96 15.511 -6.201 4.115 732 3HD1 LEU 96 HD13 LEU 96 14.578 -6.653 2.685 733 1HD2 LEU 96 HD21 LEU 96 13.589 -7.644 6.226 734 2HD2 LEU 96 HD22 LEU 96 14.630 -9.084 6.216 735 3HD2 LEU 96 HD23 LEU 96 15.352 -7.476 6.187 736 H GLN 97 H GLN 97 12.266 -11.092 1.840 737 HA GLN 97 HA GLN 97 9.440 -10.963 2.130 738 1HB GLN 97 HB2 GLN 97 11.317 -12.395 0.227 739 2HB GLN 97 HB3 GLN 97 9.613 -12.834 0.225 740 1HG GLN 97 HG2 GLN 97 8.883 -10.670 -0.329 741 2HG GLN 97 HG3 GLN 97 10.487 -9.950 -0.053 742 1HE2 GLN 97 HE22 GLN 97 12.281 -10.783 -1.439 743 2HE2 GLN 97 HE21 GLN 97 11.928 -11.219 -3.114 744 H GLU 98 H GLU 98 11.730 -13.667 2.789 745 HA GLU 98 HA GLU 98 9.649 -15.531 3.340 746 1HB GLU 98 HB2 GLU 98 12.537 -15.398 4.295 747 2HB GLU 98 HB3 GLU 98 11.433 -16.698 4.758 748 1HG GLU 98 HG2 GLU 98 11.027 -17.214 2.357 749 2HG GLU 98 HG3 GLU 98 12.220 -16.004 1.899 750 H LEU 99 H LEU 99 11.342 -13.208 5.453 751 HA LEU 99 HA LEU 99 10.031 -13.988 7.884 752 1HB LEU 99 HB2 LEU 99 11.214 -11.318 7.031 753 2HB LEU 99 HB3 LEU 99 10.633 -11.652 8.658 754 HG LEU 99 HG LEU 99 12.837 -13.270 7.318 755 1HD1 LEU 99 HD11 LEU 99 13.067 -10.953 9.280 756 2HD1 LEU 99 HD12 LEU 99 14.406 -11.969 8.695 757 3HD1 LEU 99 HD13 LEU 99 13.533 -10.926 7.564 758 1HD2 LEU 99 HD21 LEU 99 11.994 -13.073 10.239 759 2HD2 LEU 99 HD22 LEU 99 11.724 -14.470 9.171 760 3HD2 LEU 99 HD23 LEU 99 13.366 -14.001 9.608 761 H VAL 100 H VAL 100 9.108 -11.599 5.376 762 HA VAL 100 HA VAL 100 6.674 -10.768 6.603 763 HB VAL 100 HB VAL 100 7.669 -10.902 3.735 764 1HG1 VAL 100 HG11 VAL 100 5.101 -9.594 4.689 765 2HG1 VAL 100 HG12 VAL 100 5.872 -9.325 3.104 766 3HG1 VAL 100 HG13 VAL 100 5.273 -10.929 3.525 767 1HG2 VAL 100 HG21 VAL 100 7.243 -8.440 5.459 768 2HG2 VAL 100 HG22 VAL 100 8.787 -9.296 5.364 769 3HG2 VAL 100 HG23 VAL 100 8.111 -8.591 3.902 770 H ASN 101 H ASN 101 7.403 -13.353 4.267 771 HA ASN 101 HA ASN 101 4.801 -14.136 3.643 772 1HB ASN 101 HB2 ASN 101 6.860 -14.719 2.378 773 2HB ASN 101 HB3 ASN 101 7.340 -15.830 3.662 774 1HD2 ASN 101 HD22 ASN 101 5.619 -15.495 0.745 775 2HD2 ASN 101 HD21 ASN 101 4.809 -17.043 0.753 776 H LYS 102 H LYS 102 6.960 -15.360 6.233 777 HA LYS 102 HA LYS 102 5.179 -17.499 6.934 778 1HB LYS 102 HB2 LYS 102 6.612 -17.894 8.831 779 2HB LYS 102 HB3 LYS 102 7.549 -17.652 7.359 780 1HG LYS 102 HG2 LYS 102 8.025 -15.305 8.076 781 2HG LYS 102 HG3 LYS 102 7.154 -15.608 9.571 782 1HD LYS 102 HD2 LYS 102 9.607 -17.153 8.654 783 2HD LYS 102 HD3 LYS 102 9.676 -15.761 9.730 784 1HE LYS 102 HE2 LYS 102 8.076 -18.275 10.374 785 2HE LYS 102 HE3 LYS 102 9.765 -18.057 10.836 786 1HZ LYS 102 HZ1 LYS 102 8.212 -17.423 12.600 787 2HZ LYS 102 HZ2 LYS 102 9.172 -16.170 12.170 788 3HZ LYS 102 HZ3 LYS 102 7.618 -16.194 11.684 789 H HIS 103 H HIS 103 4.714 -14.181 7.468 790 HA HIS 103 HA HIS 103 2.736 -14.831 9.610 791 1HB HIS 103 HB2 HIS 103 4.469 -12.358 9.298 792 2HB HIS 103 HB3 HIS 103 3.094 -12.471 10.394 793 HD1 HIS 103 HD1 HIS 103 3.324 -14.765 12.171 794 HD2 HIS 103 HD2 HIS 103 6.734 -13.244 10.238 795 HE1 HIS 103 HE1 HIS 103 5.323 -15.738 13.398 796 H LEU 104 H LEU 104 3.126 -13.490 6.409 797 HA LEU 104 HA LEU 104 0.709 -11.977 6.327 798 1HB LEU 104 HB2 LEU 104 2.286 -13.522 4.242 799 2HB LEU 104 HB3 LEU 104 0.721 -12.823 3.850 800 HG LEU 104 HG LEU 104 3.159 -11.256 4.766 801 1HD1 LEU 104 HD11 LEU 104 3.306 -12.143 2.458 802 2HD1 LEU 104 HD12 LEU 104 1.726 -11.429 2.073 803 3HD1 LEU 104 HD13 LEU 104 3.109 -10.382 2.447 804 1HD2 LEU 104 HD21 LEU 104 1.184 -10.064 5.551 805 2HD2 LEU 104 HD22 LEU 104 1.797 -9.244 4.123 806 3HD2 LEU 104 HD23 LEU 104 0.369 -10.299 3.993 Start of MODEL 13 1 1H MET 1 H1 MET 1 -0.387 -1.721 1.448 2 2H MET 1 H2 MET 1 0.604 -1.981 0.170 3 3H MET 1 H3 MET 1 1.252 -1.740 1.640 4 HA MET 1 HA MET 1 -0.254 0.205 0.029 5 1HB MET 1 HB2 MET 1 0.982 0.607 2.781 6 2HB MET 1 HB3 MET 1 0.433 1.910 1.717 7 1HG MET 1 HG2 MET 1 -1.853 0.941 1.713 8 2HG MET 1 HG3 MET 1 -1.317 -0.293 2.863 9 1HE MET 1 HE1 MET 1 -3.272 0.309 4.520 10 2HE MET 1 HE2 MET 1 -3.635 1.966 5.051 11 3HE MET 1 HE3 MET 1 -3.847 1.516 3.345 12 H ALA 2 H ALA 2 2.767 1.085 1.685 13 HA ALA 2 HA ALA 2 4.477 0.700 -0.616 14 1HB ALA 2 HB1 ALA 2 3.507 3.505 0.124 15 2HB ALA 2 HB2 ALA 2 4.752 3.112 -1.081 16 3HB ALA 2 HB3 ALA 2 3.076 2.638 -1.368 17 H ILE 3 H ILE 3 6.503 2.420 -0.004 18 HA ILE 3 HA ILE 3 7.243 1.936 2.791 19 HB ILE 3 HB ILE 3 8.512 3.598 0.582 20 1HG1 ILE 3 HG12 ILE 3 9.916 1.163 1.628 21 2HG1 ILE 3 HG13 ILE 3 8.442 0.819 0.737 22 1HG2 ILE 3 HG21 ILE 3 10.584 3.600 2.007 23 2HG2 ILE 3 HG22 ILE 3 9.265 4.517 2.723 24 3HG2 ILE 3 HG23 ILE 3 9.636 2.893 3.334 25 1HD1 ILE 3 HD11 ILE 3 9.209 2.076 -1.183 26 2HD1 ILE 3 HD12 ILE 3 10.708 2.541 -0.325 27 3HD1 ILE 3 HD13 ILE 3 10.406 0.838 -0.721 28 H VAL 4 H VAL 4 7.160 3.467 4.398 29 HA VAL 4 HA VAL 4 5.856 6.089 3.890 30 HB VAL 4 HB VAL 4 5.269 4.172 6.182 31 1HG1 VAL 4 HG11 VAL 4 3.253 5.603 6.540 32 2HG1 VAL 4 HG12 VAL 4 4.755 6.456 6.826 33 3HG1 VAL 4 HG13 VAL 4 3.860 6.727 5.307 34 1HG2 VAL 4 HG21 VAL 4 3.633 4.636 3.650 35 2HG2 VAL 4 HG22 VAL 4 4.348 3.104 4.206 36 3HG2 VAL 4 HG23 VAL 4 3.015 3.821 5.101 37 H LYS 5 H LYS 5 6.288 7.559 5.736 38 HA LYS 5 HA LYS 5 8.975 7.134 6.992 39 1HB LYS 5 HB2 LYS 5 7.681 9.770 6.144 40 2HB LYS 5 HB3 LYS 5 9.292 9.558 6.806 41 1HG LYS 5 HG2 LYS 5 8.295 8.591 4.081 42 2HG LYS 5 HG3 LYS 5 9.282 10.007 4.368 43 1HD LYS 5 HD2 LYS 5 10.123 7.125 4.889 44 2HD LYS 5 HD3 LYS 5 10.584 8.082 3.492 45 1HE LYS 5 HE2 LYS 5 11.294 8.761 6.383 46 2HE LYS 5 HE3 LYS 5 12.369 7.955 5.240 47 1HZ LYS 5 HZ1 LYS 5 11.310 10.707 4.900 48 2HZ LYS 5 HZ2 LYS 5 12.835 10.322 5.311 49 3HZ LYS 5 HZ3 LYS 5 12.278 9.938 3.832 50 H ALA 6 H ALA 6 8.818 7.169 9.217 51 HA ALA 6 HA ALA 6 6.370 8.398 10.443 52 1HB ALA 6 HB1 ALA 6 6.060 6.380 11.815 53 2HB ALA 6 HB2 ALA 6 5.932 6.001 10.093 54 3HB ALA 6 HB3 ALA 6 7.424 5.597 10.992 55 H THR 7 H THR 7 6.458 8.422 12.812 56 HA THR 7 HA THR 7 9.112 8.474 14.060 57 HB THR 7 HB THR 7 8.477 10.590 15.259 58 HG1 THR 7 HG1 THR 7 6.519 10.717 13.210 59 1HG2 THR 7 HG21 THR 7 9.199 12.145 13.572 60 2HG2 THR 7 HG22 THR 7 10.080 10.625 13.341 61 3HG2 THR 7 HG23 THR 7 8.738 11.036 12.259 62 H ASP 8 H ASP 8 8.609 8.805 16.547 63 HA ASP 8 HA ASP 8 6.933 6.866 17.627 64 1HB ASP 8 HB2 ASP 8 8.623 8.061 18.925 65 2HB ASP 8 HB3 ASP 8 7.738 9.576 18.727 66 H GLN 9 H GLN 9 6.035 10.061 16.460 67 HA GLN 9 HA GLN 9 3.526 10.383 17.719 68 1HB GLN 9 HB2 GLN 9 4.422 11.374 14.986 69 2HB GLN 9 HB3 GLN 9 3.116 12.046 15.954 70 1HG GLN 9 HG2 GLN 9 4.691 12.810 17.668 71 2HG GLN 9 HG3 GLN 9 6.047 12.062 16.816 72 1HE2 GLN 9 HE22 GLN 9 6.392 12.780 14.484 73 2HE2 GLN 9 HE21 GLN 9 6.174 14.491 14.151 74 H SER 10 H SER 10 4.454 8.506 14.856 75 HA SER 10 HA SER 10 1.606 7.890 14.256 76 1HB SER 10 HB2 SER 10 2.511 7.897 11.884 77 2HB SER 10 HB3 SER 10 2.486 9.455 12.736 78 HG SER 10 HG SER 10 4.423 9.234 11.687 79 H PHE 11 H PHE 11 4.770 6.509 14.804 80 HA PHE 11 HA PHE 11 4.871 4.353 13.190 81 1HB PHE 11 HB2 PHE 11 6.601 5.128 14.805 82 2HB PHE 11 HB3 PHE 11 5.696 4.406 16.127 83 HD1 PHE 11 HD1 PHE 11 7.799 3.818 13.160 84 HD2 PHE 11 HD2 PHE 11 5.647 1.920 16.385 85 HE1 PHE 11 HE1 PHE 11 9.047 1.738 12.766 86 HE2 PHE 11 HE2 PHE 11 6.856 -0.197 15.934 87 HZ PHE 11 HZ PHE 11 8.588 -0.291 14.159 88 H SER 12 H SER 12 3.225 4.285 16.421 89 HA SER 12 HA SER 12 2.566 1.568 16.304 90 1HB SER 12 HB2 SER 12 0.984 3.736 17.735 91 2HB SER 12 HB3 SER 12 1.156 2.032 18.200 92 HG SER 12 HG SER 12 2.527 3.427 19.412 93 H ALA 13 H ALA 13 0.782 4.382 15.048 94 HA ALA 13 HA ALA 13 -1.594 2.886 14.407 95 1HB ALA 13 HB1 ALA 13 -0.574 5.541 13.295 96 2HB ALA 13 HB2 ALA 13 -2.203 4.875 13.079 97 3HB ALA 13 HB3 ALA 13 -1.651 5.344 14.698 98 H GLU 14 H GLU 14 1.326 3.921 12.638 99 HA GLU 14 HA GLU 14 0.500 2.924 10.120 100 1HB GLU 14 HB2 GLU 14 3.278 3.452 11.259 101 2HB GLU 14 HB3 GLU 14 3.015 2.934 9.599 102 1HG GLU 14 HG2 GLU 14 1.973 5.500 10.852 103 2HG GLU 14 HG3 GLU 14 3.307 5.350 9.711 104 H THR 15 H THR 15 2.199 1.293 12.812 105 HA THR 15 HA THR 15 2.635 -1.082 11.246 106 HB THR 15 HB THR 15 3.538 -1.926 13.445 107 HG1 THR 15 HG1 THR 15 3.352 0.786 14.214 108 1HG2 THR 15 HG21 THR 15 4.673 0.640 12.236 109 2HG2 THR 15 HG22 THR 15 5.543 -0.431 13.347 110 3HG2 THR 15 HG23 THR 15 5.041 -1.033 11.764 111 H SER 16 H SER 16 -0.214 -0.006 12.476 112 HA SER 16 HA SER 16 -1.056 -2.660 13.457 113 1HB SER 16 HB2 SER 16 -2.308 0.090 13.803 114 2HB SER 16 HB3 SER 16 -2.983 -1.428 14.428 115 HG SER 16 HG SER 16 -0.629 -0.074 15.187 116 H GLU 17 H GLU 17 -0.639 -2.166 10.638 117 HA GLU 17 HA GLU 17 -3.392 -2.687 9.635 118 1HB GLU 17 HB2 GLU 17 -1.373 -0.800 8.372 119 2HB GLU 17 HB3 GLU 17 -2.884 -1.348 7.619 120 1HG GLU 17 HG2 GLU 17 -4.121 -0.421 9.639 121 2HG GLU 17 HG3 GLU 17 -2.606 0.354 10.121 122 H GLY 18 H GLY 18 -1.962 -4.788 10.334 123 1HA GLY 18 HA2 GLY 18 -1.897 -6.876 9.186 124 2HA GLY 18 HA3 GLY 18 -1.373 -6.057 7.709 125 H VAL 19 H VAL 19 0.452 -7.502 7.573 126 HA VAL 19 HA VAL 19 2.583 -7.328 9.586 127 HB VAL 19 HB VAL 19 2.622 -8.374 6.723 128 1HG1 VAL 19 HG11 VAL 19 4.772 -8.506 8.891 129 2HG1 VAL 19 HG12 VAL 19 4.820 -9.386 7.351 130 3HG1 VAL 19 HG13 VAL 19 4.906 -7.624 7.358 131 1HG2 VAL 19 HG21 VAL 19 2.647 -9.838 9.407 132 2HG2 VAL 19 HG22 VAL 19 1.281 -9.788 8.271 133 3HG2 VAL 19 HG23 VAL 19 2.783 -10.595 7.806 134 H VAL 20 H VAL 20 4.187 -5.832 9.566 135 HA VAL 20 HA VAL 20 4.430 -3.893 7.352 136 HB VAL 20 HB VAL 20 4.077 -3.191 10.308 137 1HG1 VAL 20 HG11 VAL 20 4.055 -0.824 9.459 138 2HG1 VAL 20 HG12 VAL 20 5.615 -1.617 9.243 139 3HG1 VAL 20 HG13 VAL 20 4.518 -1.428 7.858 140 1HG2 VAL 20 HG21 VAL 20 1.872 -3.676 9.469 141 2HG2 VAL 20 HG22 VAL 20 1.997 -1.926 9.401 142 3HG2 VAL 20 HG23 VAL 20 2.190 -2.867 7.924 143 H LEU 21 H LEU 21 6.622 -3.131 7.229 144 HA LEU 21 HA LEU 21 8.555 -4.576 9.006 145 1HB LEU 21 HB2 LEU 21 8.158 -5.562 6.734 146 2HB LEU 21 HB3 LEU 21 8.847 -4.093 6.025 147 HG LEU 21 HG LEU 21 10.224 -6.061 7.909 148 1HD1 LEU 21 HD11 LEU 21 9.824 -6.923 5.625 149 2HD1 LEU 21 HD12 LEU 21 10.667 -5.512 4.948 150 3HD1 LEU 21 HD13 LEU 21 11.546 -6.693 5.945 151 1HD2 LEU 21 HD21 LEU 21 11.323 -3.534 6.624 152 2HD2 LEU 21 HD22 LEU 21 11.314 -3.989 8.352 153 3HD2 LEU 21 HD23 LEU 21 12.347 -4.855 7.222 154 H ALA 22 H ALA 22 9.239 -3.014 10.322 155 HA ALA 22 HA ALA 22 9.392 -0.232 9.430 156 1HB ALA 22 HB1 ALA 22 9.887 -1.622 12.085 157 2HB ALA 22 HB2 ALA 22 10.102 0.115 11.815 158 3HB ALA 22 HB3 ALA 22 8.486 -0.618 11.640 159 H ASP 23 H ASP 23 11.325 0.919 9.396 160 HA ASP 23 HA ASP 23 13.881 -0.612 9.297 161 1HB ASP 23 HB2 ASP 23 13.227 -0.373 7.026 162 2HB ASP 23 HB3 ASP 23 12.675 1.282 7.271 163 H PHE 24 H PHE 24 14.684 0.065 11.153 164 HA PHE 24 HA PHE 24 14.625 2.857 12.059 165 1HB PHE 24 HB2 PHE 24 15.842 0.292 13.166 166 2HB PHE 24 HB3 PHE 24 16.108 1.879 13.867 167 HD1 PHE 24 HD1 PHE 24 14.549 2.803 15.407 168 HD2 PHE 24 HD2 PHE 24 13.345 -0.504 12.910 169 HE1 PHE 24 HE1 PHE 24 12.333 2.781 16.498 170 HE2 PHE 24 HE2 PHE 24 11.127 -0.516 14.016 171 HZ PHE 24 HZ PHE 24 10.589 1.170 15.746 172 H TRP 25 H TRP 25 15.932 4.236 11.101 173 HA TRP 25 HA TRP 25 18.642 3.520 10.337 174 1HB TRP 25 HB2 TRP 25 18.311 3.307 8.143 175 2HB TRP 25 HB3 TRP 25 16.603 3.213 8.440 176 HD1 TRP 25 HD1 TRP 25 19.142 5.212 6.641 177 HE1 TRP 25 HE1 TRP 25 18.072 7.257 5.526 178 HE3 TRP 25 HE3 TRP 25 14.717 5.302 9.172 179 HZ2 TRP 25 HZ2 TRP 25 15.797 8.976 5.993 180 HZ3 TRP 25 HZ3 TRP 25 13.183 7.262 8.947 181 HH2 TRP 25 HH2 TRP 25 13.736 9.107 7.394 182 H ALA 26 H ALA 26 19.426 5.801 9.059 183 HA ALA 26 HA ALA 26 18.068 8.152 9.934 184 1HB ALA 26 HB1 ALA 26 20.843 7.567 11.064 185 2HB ALA 26 HB2 ALA 26 20.023 9.152 11.118 186 3HB ALA 26 HB3 ALA 26 19.351 7.786 12.012 187 HA PRO 27 HA PRO 27 20.048 9.018 6.058 188 1HB PRO 27 HB2 PRO 27 20.293 11.905 6.820 189 2HB PRO 27 HB3 PRO 27 19.588 11.151 5.348 190 1HG PRO 27 HG2 PRO 27 17.995 12.127 7.365 191 2HG PRO 27 HG3 PRO 27 17.577 10.622 6.489 192 1HD PRO 27 HD2 PRO 27 18.875 10.911 9.204 193 2HD PRO 27 HD3 PRO 27 17.593 9.782 8.663 194 H TRP 28 H TRP 28 21.783 9.932 8.998 195 HA TRP 28 HA TRP 28 24.251 10.543 7.630 196 1HB TRP 28 HB2 TRP 28 25.322 10.395 9.758 197 2HB TRP 28 HB3 TRP 28 23.820 11.275 9.941 198 HD1 TRP 28 HD1 TRP 28 22.069 10.326 11.606 199 HE1 TRP 28 HE1 TRP 28 22.058 8.489 13.371 200 HE3 TRP 28 HE3 TRP 28 26.338 7.855 10.216 201 HZ2 TRP 28 HZ2 TRP 28 23.618 6.130 14.014 202 HZ3 TRP 28 HZ3 TRP 28 27.025 5.793 11.399 203 HH2 TRP 28 HH2 TRP 28 25.671 4.915 13.292 204 H CYS 29 H CYS 29 22.540 7.602 8.203 205 HA CYS 29 HA CYS 29 24.558 5.772 8.788 206 1HB CYS 29 HB2 CYS 29 22.017 5.509 8.889 207 2HB CYS 29 HB3 CYS 29 22.042 5.353 7.164 208 H GLY 30 H GLY 30 25.801 4.372 7.524 209 1HA GLY 30 HA2 GLY 30 26.155 5.007 4.640 210 2HA GLY 30 HA3 GLY 30 27.254 4.074 5.666 211 HA PRO 31 HA PRO 31 25.552 0.315 4.401 212 1HB PRO 31 HB2 PRO 31 24.597 -1.133 6.606 213 2HB PRO 31 HB3 PRO 31 26.301 -0.973 6.092 214 1HG PRO 31 HG2 PRO 31 24.831 0.612 8.203 215 2HG PRO 31 HG3 PRO 31 26.485 -0.068 8.265 216 1HD PRO 31 HD2 PRO 31 26.054 2.535 7.734 217 2HD PRO 31 HD3 PRO 31 27.330 1.641 6.859 218 H CYS 32 H CYS 32 23.179 2.096 6.356 219 HA CYS 32 HA CYS 32 20.827 0.767 5.567 220 1HB CYS 32 HB2 CYS 32 21.109 3.767 5.864 221 2HB CYS 32 HB3 CYS 32 19.661 2.801 6.036 222 H LYS 33 H LYS 33 22.886 3.060 3.741 223 HA LYS 33 HA LYS 33 20.951 3.606 1.698 224 1HB LYS 33 HB2 LYS 33 23.981 3.776 1.492 225 2HB LYS 33 HB3 LYS 33 22.807 4.634 0.504 226 1HG LYS 33 HG2 LYS 33 23.240 5.068 3.495 227 2HG LYS 33 HG3 LYS 33 23.930 6.047 2.211 228 1HD LYS 33 HD2 LYS 33 21.762 6.886 1.551 229 2HD LYS 33 HD3 LYS 33 20.921 5.729 2.583 230 1HE LYS 33 HE2 LYS 33 20.970 8.043 3.549 231 2HE LYS 33 HE3 LYS 33 21.657 6.798 4.600 232 1HZ LYS 33 HZ1 LYS 33 23.340 8.541 2.902 233 2HZ LYS 33 HZ2 LYS 33 22.949 8.871 4.463 234 3HZ LYS 33 HZ3 LYS 33 23.809 7.532 4.139 235 H MET 34 H MET 34 23.154 0.906 2.279 236 HA MET 34 HA MET 34 23.160 -0.059 -0.430 237 1HB MET 34 HB2 MET 34 23.598 -1.654 2.117 238 2HB MET 34 HB3 MET 34 24.082 -2.104 0.482 239 1HG MET 34 HG2 MET 34 25.609 -0.097 0.454 240 2HG MET 34 HG3 MET 34 25.209 0.176 2.148 241 1HE MET 34 HE1 MET 34 25.138 -3.320 2.844 242 2HE MET 34 HE2 MET 34 26.650 -3.214 3.765 243 3HE MET 34 HE3 MET 34 25.412 -1.949 3.938 244 H ILE 35 H ILE 35 21.217 -0.736 2.513 245 HA ILE 35 HA ILE 35 19.705 -2.760 1.103 246 HB ILE 35 HB ILE 35 20.398 -3.026 3.443 247 1HG1 ILE 35 HG12 ILE 35 17.406 -3.215 2.962 248 2HG1 ILE 35 HG13 ILE 35 18.632 -4.384 2.466 249 1HG2 ILE 35 HG21 ILE 35 18.287 -0.946 4.117 250 2HG2 ILE 35 HG22 ILE 35 19.230 -1.913 5.273 251 3HG2 ILE 35 HG23 ILE 35 20.054 -0.753 4.250 252 1HD1 ILE 35 HD11 ILE 35 17.781 -3.684 5.298 253 2HD1 ILE 35 HD12 ILE 35 17.578 -5.220 4.438 254 3HD1 ILE 35 HD13 ILE 35 19.198 -4.689 4.921 255 H ALA 36 H ALA 36 19.259 0.694 1.705 256 HA ALA 36 HA ALA 36 16.550 0.978 1.526 257 1HB ALA 36 HB1 ALA 36 16.967 3.173 0.463 258 2HB ALA 36 HB2 ALA 36 18.043 2.855 1.836 259 3HB ALA 36 HB3 ALA 36 18.657 2.711 0.178 260 HA PRO 37 HA PRO 37 16.235 0.579 -3.205 261 1HB PRO 37 HB2 PRO 37 18.189 -0.720 -4.662 262 2HB PRO 37 HB3 PRO 37 18.120 1.051 -4.416 263 1HG PRO 37 HG2 PRO 37 19.732 -0.986 -2.854 264 2HG PRO 37 HG3 PRO 37 20.288 0.576 -3.539 265 1HD PRO 37 HD2 PRO 37 19.602 0.377 -0.942 266 2HD PRO 37 HD3 PRO 37 19.136 1.817 -1.886 267 H VAL 38 H VAL 38 17.833 -1.971 -1.317 268 HA VAL 38 HA VAL 38 16.538 -4.161 -2.640 269 HB VAL 38 HB VAL 38 17.681 -4.043 0.186 270 1HG1 VAL 38 HG11 VAL 38 17.968 -6.482 -0.098 271 2HG1 VAL 38 HG12 VAL 38 16.274 -6.000 -0.104 272 3HG1 VAL 38 HG13 VAL 38 17.083 -6.396 -1.645 273 1HG2 VAL 38 HG21 VAL 38 19.432 -3.429 -1.444 274 2HG2 VAL 38 HG22 VAL 38 19.712 -5.053 -0.822 275 3HG2 VAL 38 HG23 VAL 38 19.015 -4.839 -2.441 276 H LEU 39 H LEU 39 15.704 -2.074 0.205 277 HA LEU 39 HA LEU 39 13.213 -3.389 0.703 278 1HB LEU 39 HB2 LEU 39 14.108 -0.549 1.338 279 2HB LEU 39 HB3 LEU 39 12.599 -1.265 1.890 280 HG LEU 39 HG LEU 39 15.388 -2.220 2.609 281 1HD1 LEU 39 HD11 LEU 39 14.720 -0.104 3.690 282 2HD1 LEU 39 HD12 LEU 39 13.237 -0.872 4.295 283 3HD1 LEU 39 HD13 LEU 39 14.827 -1.422 4.865 284 1HD2 LEU 39 HD21 LEU 39 14.222 -3.723 4.243 285 2HD2 LEU 39 HD22 LEU 39 12.671 -3.305 3.479 286 3HD2 LEU 39 HD23 LEU 39 13.923 -4.173 2.564 287 H GLU 40 H GLU 40 14.076 -0.646 -1.474 288 HA GLU 40 HA GLU 40 11.392 -0.175 -2.297 289 1HB GLU 40 HB2 GLU 40 14.014 0.209 -3.782 290 2HB GLU 40 HB3 GLU 40 12.442 0.667 -4.441 291 1HG GLU 40 HG2 GLU 40 12.035 2.156 -2.515 292 2HG GLU 40 HG3 GLU 40 13.605 1.736 -1.835 293 H GLU 41 H GLU 41 13.798 -2.537 -3.530 294 HA GLU 41 HA GLU 41 12.050 -3.602 -5.525 295 1HB GLU 41 HB2 GLU 41 14.491 -4.711 -4.104 296 2HB GLU 41 HB3 GLU 41 13.578 -5.642 -5.299 297 1HG GLU 41 HG2 GLU 41 13.936 -3.913 -7.000 298 2HG GLU 41 HG3 GLU 41 14.798 -2.902 -5.842 299 H LEU 42 H LEU 42 12.544 -4.408 -2.094 300 HA LEU 42 HA LEU 42 10.808 -6.645 -1.979 301 1HB LEU 42 HB2 LEU 42 12.459 -5.540 -0.178 302 2HB LEU 42 HB3 LEU 42 11.017 -4.678 0.316 303 HG LEU 42 HG LEU 42 11.637 -7.640 0.407 304 1HD1 LEU 42 HD11 LEU 42 10.623 -5.643 2.476 305 2HD1 LEU 42 HD12 LEU 42 11.004 -7.347 2.780 306 3HD1 LEU 42 HD13 LEU 42 12.295 -6.224 2.310 307 1HD2 LEU 42 HD21 LEU 42 9.316 -8.058 1.255 308 2HD2 LEU 42 HD22 LEU 42 8.865 -6.437 0.692 309 3HD2 LEU 42 HD23 LEU 42 9.402 -7.672 -0.473 310 H ASP 43 H ASP 43 10.161 -3.131 -1.480 311 HA ASP 43 HA ASP 43 7.424 -3.282 -0.927 312 1HB ASP 43 HB2 ASP 43 8.895 -1.219 -0.790 313 2HB ASP 43 HB3 ASP 43 8.784 -1.096 -2.557 314 H GLN 44 H GLN 44 9.087 -3.037 -4.062 315 HA GLN 44 HA GLN 44 6.682 -2.962 -5.611 316 1HB GLN 44 HB2 GLN 44 9.581 -3.529 -6.304 317 2HB GLN 44 HB3 GLN 44 8.300 -3.415 -7.521 318 1HG GLN 44 HG2 GLN 44 7.797 -1.130 -6.943 319 2HG GLN 44 HG3 GLN 44 8.816 -1.173 -5.506 320 1HE2 GLN 44 HE22 GLN 44 11.123 -1.302 -5.767 321 2HE2 GLN 44 HE21 GLN 44 11.910 -0.736 -7.241 322 H GLU 45 H GLU 45 8.104 -5.589 -3.951 323 HA GLU 45 HA GLU 45 6.932 -7.644 -5.739 324 1HB GLU 45 HB2 GLU 45 9.089 -7.651 -3.605 325 2HB GLU 45 HB3 GLU 45 8.385 -9.141 -4.259 326 1HG GLU 45 HG2 GLU 45 9.036 -8.624 -6.514 327 2HG GLU 45 HG3 GLU 45 9.493 -6.982 -6.096 328 H MET 46 H MET 46 6.709 -6.321 -2.474 329 HA MET 46 HA MET 46 4.483 -8.253 -1.922 330 1HB MET 46 HB2 MET 46 6.452 -6.992 0.014 331 2HB MET 46 HB3 MET 46 5.206 -8.175 0.409 332 1HG MET 46 HG2 MET 46 7.634 -8.608 -1.359 333 2HG MET 46 HG3 MET 46 7.380 -9.219 0.273 334 1HE MET 46 HE1 MET 46 6.047 -11.287 0.890 335 2HE MET 46 HE2 MET 46 4.557 -10.436 0.369 336 3HE MET 46 HE3 MET 46 4.876 -12.101 -0.176 337 H GLY 47 H GLY 47 4.979 -4.913 -2.409 338 1HA GLY 47 HA2 GLY 47 3.653 -3.700 -0.300 339 2HA GLY 47 HA3 GLY 47 3.748 -3.078 -1.953 340 H ASP 48 H ASP 48 2.145 -5.807 -2.520 341 HA ASP 48 HA ASP 48 -0.497 -4.659 -2.605 342 1HB ASP 48 HB2 ASP 48 0.248 -6.354 -4.223 343 2HB ASP 48 HB3 ASP 48 0.457 -7.529 -2.920 344 H LYS 49 H LYS 49 1.339 -6.601 -0.314 345 HA LYS 49 HA LYS 49 -0.988 -6.723 1.567 346 1HB LYS 49 HB2 LYS 49 1.377 -8.638 1.270 347 2HB LYS 49 HB3 LYS 49 0.082 -8.782 2.447 348 1HG LYS 49 HG2 LYS 49 -0.199 -9.019 -0.576 349 2HG LYS 49 HG3 LYS 49 -0.176 -10.351 0.568 350 1HD LYS 49 HD2 LYS 49 -2.339 -8.208 0.390 351 2HD LYS 49 HD3 LYS 49 -2.448 -9.868 -0.202 352 1HE LYS 49 HE2 LYS 49 -2.134 -10.717 2.122 353 2HE LYS 49 HE3 LYS 49 -2.082 -9.051 2.716 354 1HZ LYS 49 HZ1 LYS 49 -4.355 -8.764 1.907 355 2HZ LYS 49 HZ2 LYS 49 -4.402 -10.306 1.364 356 3HZ LYS 49 HZ3 LYS 49 -4.282 -10.006 2.958 357 H LEU 50 H LEU 50 2.380 -5.836 1.081 358 HA LEU 50 HA LEU 50 2.869 -5.624 3.973 359 1HB LEU 50 HB2 LEU 50 4.402 -6.827 2.369 360 2HB LEU 50 HB3 LEU 50 4.721 -5.285 1.575 361 HG LEU 50 HG LEU 50 5.796 -4.433 3.641 362 1HD1 LEU 50 HD11 LEU 50 5.218 -7.221 4.738 363 2HD1 LEU 50 HD12 LEU 50 6.310 -6.038 5.487 364 3HD1 LEU 50 HD13 LEU 50 4.589 -5.689 5.377 365 1HD2 LEU 50 HD21 LEU 50 7.149 -5.507 1.952 366 2HD2 LEU 50 HD22 LEU 50 7.788 -5.865 3.560 367 3HD2 LEU 50 HD23 LEU 50 6.862 -7.105 2.681 368 H LYS 51 H LYS 51 4.018 -3.720 4.798 369 HA LYS 51 HA LYS 51 3.917 -1.221 3.243 370 1HB LYS 51 HB2 LYS 51 1.892 -1.199 4.742 371 2HB LYS 51 HB3 LYS 51 2.931 -1.564 6.120 372 1HG LYS 51 HG2 LYS 51 4.188 0.635 5.557 373 2HG LYS 51 HG3 LYS 51 2.850 0.994 4.469 374 1HD LYS 51 HD2 LYS 51 2.650 0.453 7.470 375 2HD LYS 51 HD3 LYS 51 2.680 2.048 6.717 376 1HE LYS 51 HE2 LYS 51 0.582 1.487 5.475 377 2HE LYS 51 HE3 LYS 51 0.511 -0.071 6.329 378 1HZ LYS 51 HZ1 LYS 51 0.495 2.595 7.619 379 2HZ LYS 51 HZ2 LYS 51 -0.837 1.647 7.423 380 3HZ LYS 51 HZ3 LYS 51 0.395 1.147 8.399 381 H ILE 52 H ILE 52 5.807 0.032 3.819 382 HA ILE 52 HA ILE 52 7.671 -1.307 5.719 383 HB ILE 52 HB ILE 52 8.336 0.041 3.087 384 1HG1 ILE 52 HG12 ILE 52 8.607 -2.850 4.017 385 2HG1 ILE 52 HG13 ILE 52 7.498 -2.237 2.792 386 1HG2 ILE 52 HG21 ILE 52 10.272 -1.128 5.133 387 2HG2 ILE 52 HG22 ILE 52 10.697 -0.404 3.568 388 3HG2 ILE 52 HG23 ILE 52 10.026 0.609 4.831 389 1HD1 ILE 52 HD11 ILE 52 10.507 -2.487 2.559 390 2HD1 ILE 52 HD12 ILE 52 9.251 -3.302 1.616 391 3HD1 ILE 52 HD13 ILE 52 9.512 -1.559 1.411 392 H VAL 53 H VAL 53 8.589 0.144 7.242 393 HA VAL 53 HA VAL 53 7.518 2.949 7.134 394 HB VAL 53 HB VAL 53 7.271 0.939 9.409 395 1HG1 VAL 53 HG11 VAL 53 6.508 3.889 9.329 396 2HG1 VAL 53 HG12 VAL 53 6.085 2.750 10.629 397 3HG1 VAL 53 HG13 VAL 53 7.774 3.171 10.352 398 1HG2 VAL 53 HG21 VAL 53 5.176 2.423 7.753 399 2HG2 VAL 53 HG22 VAL 53 5.540 0.692 7.663 400 3HG2 VAL 53 HG23 VAL 53 4.845 1.367 9.139 401 H LYS 54 H LYS 54 9.400 4.004 6.747 402 HA LYS 54 HA LYS 54 11.891 3.264 8.099 403 1HB LYS 54 HB2 LYS 54 11.148 5.737 6.488 404 2HB LYS 54 HB3 LYS 54 12.786 5.258 6.969 405 1HG LYS 54 HG2 LYS 54 12.532 3.118 5.673 406 2HG LYS 54 HG3 LYS 54 10.960 3.665 5.112 407 1HD LYS 54 HD2 LYS 54 12.612 4.020 3.381 408 2HD LYS 54 HD3 LYS 54 11.963 5.553 3.945 409 1HE LYS 54 HE2 LYS 54 14.295 5.833 3.614 410 2HE LYS 54 HE3 LYS 54 14.010 5.872 5.360 411 1HZ LYS 54 HZ1 LYS 54 15.107 3.590 3.816 412 2HZ LYS 54 HZ2 LYS 54 15.933 4.539 4.858 413 3HZ LYS 54 HZ3 LYS 54 14.795 3.511 5.420 414 H ILE 55 H ILE 55 12.706 4.220 9.973 415 HA ILE 55 HA ILE 55 11.380 6.636 11.006 416 HB ILE 55 HB ILE 55 10.087 4.945 12.014 417 1HG1 ILE 55 HG12 ILE 55 12.069 5.822 14.146 418 2HG1 ILE 55 HG13 ILE 55 10.939 6.929 13.361 419 1HG2 ILE 55 HG21 ILE 55 12.619 3.601 13.029 420 2HG2 ILE 55 HG22 ILE 55 10.961 3.130 13.430 421 3HG2 ILE 55 HG23 ILE 55 11.536 2.962 11.775 422 1HD1 ILE 55 HD11 ILE 55 10.143 4.485 14.991 423 2HD1 ILE 55 HD12 ILE 55 10.016 6.181 15.483 424 3HD1 ILE 55 HD13 ILE 55 9.024 5.585 14.145 425 H ASP 56 H ASP 56 12.733 8.039 11.794 426 HA ASP 56 HA ASP 56 15.563 7.556 11.323 427 1HB ASP 56 HB2 ASP 56 14.457 9.491 10.371 428 2HB ASP 56 HB3 ASP 56 14.013 10.071 11.979 429 H VAL 57 H VAL 57 16.708 6.671 13.023 430 HA VAL 57 HA VAL 57 15.828 6.828 15.726 431 HB VAL 57 HB VAL 57 17.925 5.763 16.328 432 1HG1 VAL 57 HG11 VAL 57 16.060 4.448 15.372 433 2HG1 VAL 57 HG12 VAL 57 16.798 4.564 13.761 434 3HG1 VAL 57 HG13 VAL 57 17.641 3.709 15.071 435 1HG2 VAL 57 HG21 VAL 57 19.505 6.941 14.809 436 2HG2 VAL 57 HG22 VAL 57 19.654 5.183 14.718 437 3HG2 VAL 57 HG23 VAL 57 18.810 6.062 13.432 438 H ASP 58 H ASP 58 17.568 9.219 13.867 439 HA ASP 58 HA ASP 58 18.990 10.425 16.077 440 1HB ASP 58 HB2 ASP 58 19.553 10.802 13.681 441 2HB ASP 58 HB3 ASP 58 18.033 11.689 13.488 442 H GLU 59 H GLU 59 15.631 10.351 15.200 443 HA GLU 59 HA GLU 59 15.049 12.504 17.203 444 1HB GLU 59 HB2 GLU 59 13.591 11.855 14.611 445 2HB GLU 59 HB3 GLU 59 13.031 12.998 15.838 446 1HG GLU 59 HG2 GLU 59 15.194 14.279 15.534 447 2HG GLU 59 HG3 GLU 59 15.545 13.247 14.145 448 H ASN 60 H ASN 60 14.984 9.226 16.835 449 HA ASN 60 HA ASN 60 12.445 8.892 18.371 450 1HB ASN 60 HB2 ASN 60 13.243 7.334 15.880 451 2HB ASN 60 HB3 ASN 60 11.897 6.940 16.939 452 1HD2 ASN 60 HD22 ASN 60 12.993 9.124 14.433 453 2HD2 ASN 60 HD21 ASN 60 11.480 9.990 14.253 454 H GLN 61 H GLN 61 15.025 8.938 19.504 455 HA GLN 61 HA GLN 61 16.186 6.419 19.946 456 1HB GLN 61 HB2 GLN 61 15.826 8.694 21.955 457 2HB GLN 61 HB3 GLN 61 16.918 7.321 22.116 458 1HG GLN 61 HG2 GLN 61 18.437 8.781 21.290 459 2HG GLN 61 HG3 GLN 61 17.827 8.159 19.759 460 1HE2 GLN 61 HE22 GLN 61 17.263 9.679 18.284 461 2HE2 GLN 61 HE21 GLN 61 16.965 11.368 18.629 462 H GLU 62 H GLU 62 13.170 7.782 21.299 463 HA GLU 62 HA GLU 62 12.893 5.880 23.397 464 1HB GLU 62 HB2 GLU 62 10.792 7.474 21.857 465 2HB GLU 62 HB3 GLU 62 10.460 6.553 23.323 466 1HG GLU 62 HG2 GLU 62 12.376 8.920 23.115 467 2HG GLU 62 HG3 GLU 62 10.741 8.973 23.755 468 H THR 63 H THR 63 11.497 5.889 20.031 469 HA THR 63 HA THR 63 10.232 3.384 20.335 470 HB THR 63 HB THR 63 11.216 4.323 17.691 471 HG1 THR 63 HG1 THR 63 9.611 5.961 17.653 472 1HG2 THR 63 HG21 THR 63 8.450 3.460 18.623 473 2HG2 THR 63 HG22 THR 63 8.942 3.774 16.940 474 3HG2 THR 63 HG23 THR 63 9.648 2.419 17.824 475 H ALA 64 H ALA 64 13.492 4.304 19.108 476 HA ALA 64 HA ALA 64 14.354 1.691 18.380 477 1HB ALA 64 HB1 ALA 64 15.921 4.066 19.520 478 2HB ALA 64 HB2 ALA 64 16.653 2.667 18.736 479 3HB ALA 64 HB3 ALA 64 15.603 3.750 17.802 480 H GLY 65 H GLY 65 14.595 3.413 21.537 481 1HA GLY 65 HA2 GLY 65 15.800 1.343 23.024 482 2HA GLY 65 HA3 GLY 65 14.783 2.651 23.660 483 H LYS 66 H LYS 66 12.425 1.788 22.021 484 HA LYS 66 HA LYS 66 11.077 0.162 23.834 485 1HB LYS 66 HB2 LYS 66 10.200 1.689 21.939 486 2HB LYS 66 HB3 LYS 66 10.414 0.299 20.879 487 1HG LYS 66 HG2 LYS 66 8.835 -1.029 22.108 488 2HG LYS 66 HG3 LYS 66 8.782 0.146 23.442 489 1HD LYS 66 HD2 LYS 66 7.725 1.813 22.015 490 2HD LYS 66 HD3 LYS 66 7.931 0.788 20.595 491 1HE LYS 66 HE2 LYS 66 5.636 0.632 21.269 492 2HE LYS 66 HE3 LYS 66 6.415 -0.918 21.588 493 1HZ LYS 66 HZ1 LYS 66 6.542 -0.292 23.935 494 2HZ LYS 66 HZ2 LYS 66 5.854 1.163 23.630 495 3HZ LYS 66 HZ3 LYS 66 5.002 -0.205 23.420 496 H TYR 67 H TYR 67 13.107 -0.800 21.073 497 HA TYR 67 HA TYR 67 12.673 -3.661 21.847 498 1HB TYR 67 HB2 TYR 67 13.623 -2.894 19.121 499 2HB TYR 67 HB3 TYR 67 12.722 -4.310 19.631 500 HD1 TYR 67 HD1 TYR 67 10.205 -3.975 20.236 501 HD2 TYR 67 HD2 TYR 67 12.592 -0.946 18.302 502 HE1 TYR 67 HE1 TYR 67 8.141 -2.764 19.573 503 HE2 TYR 67 HE2 TYR 67 10.585 0.288 17.708 504 HH TYR 67 HH TYR 67 8.223 0.332 17.764 505 H GLY 68 H GLY 68 14.808 -1.403 22.555 506 1HA GLY 68 HA2 GLY 68 17.029 -1.342 23.042 507 2HA GLY 68 HA3 GLY 68 17.053 -3.106 22.889 508 H VAL 69 H VAL 69 16.170 -0.874 20.225 509 HA VAL 69 HA VAL 69 18.251 -1.899 18.466 510 HB VAL 69 HB VAL 69 16.440 0.539 18.209 511 1HG1 VAL 69 HG11 VAL 69 18.136 -0.909 16.145 512 2HG1 VAL 69 HG12 VAL 69 16.919 0.331 15.770 513 3HG1 VAL 69 HG13 VAL 69 18.346 0.756 16.715 514 1HG2 VAL 69 HG21 VAL 69 16.043 -2.292 17.181 515 2HG2 VAL 69 HG22 VAL 69 15.035 -1.403 18.341 516 3HG2 VAL 69 HG23 VAL 69 15.086 -0.883 16.664 517 H MET 70 H MET 70 20.326 -1.239 18.518 518 HA MET 70 HA MET 70 21.052 1.450 19.585 519 1HB MET 70 HB2 MET 70 22.303 -1.238 20.282 520 2HB MET 70 HB3 MET 70 23.009 0.329 20.697 521 1HG MET 70 HG2 MET 70 20.995 0.907 22.010 522 2HG MET 70 HG3 MET 70 20.314 -0.682 21.657 523 1HE MET 70 HE1 MET 70 21.083 -0.990 25.452 524 2HE MET 70 HE2 MET 70 20.493 0.438 24.574 525 3HE MET 70 HE3 MET 70 19.868 -1.177 24.170 526 H SER 71 H SER 71 20.990 -0.353 16.886 527 HA SER 71 HA SER 71 23.339 0.872 15.691 528 1HB SER 71 HB2 SER 71 22.733 -2.118 15.455 529 2HB SER 71 HB3 SER 71 24.040 -1.246 14.641 530 HG SER 71 HG SER 71 24.758 -2.372 16.506 531 H ILE 72 H ILE 72 23.095 0.735 13.251 532 HA ILE 72 HA ILE 72 20.434 0.033 12.293 533 HB ILE 72 HB ILE 72 20.212 2.154 11.051 534 1HG1 ILE 72 HG12 ILE 72 22.346 3.293 12.914 535 2HG1 ILE 72 HG13 ILE 72 22.609 2.910 11.212 536 1HG2 ILE 72 HG21 ILE 72 20.213 2.637 14.052 537 2HG2 ILE 72 HG22 ILE 72 19.158 3.374 12.830 538 3HG2 ILE 72 HG23 ILE 72 19.002 1.659 13.204 539 1HD1 ILE 72 HD11 ILE 72 22.179 5.279 11.404 540 2HD1 ILE 72 HD12 ILE 72 20.806 4.511 10.586 541 3HD1 ILE 72 HD13 ILE 72 20.673 4.999 12.287 542 HA PRO 73 HA PRO 73 19.512 0.443 9.900 543 1HB PRO 73 HB2 PRO 73 19.042 -1.527 8.065 544 2HB PRO 73 HB3 PRO 73 19.703 0.073 7.632 545 1HG PRO 73 HG2 PRO 73 21.210 -2.516 8.080 546 2HG PRO 73 HG3 PRO 73 21.411 -1.339 6.747 547 1HD PRO 73 HD2 PRO 73 23.048 -1.362 8.939 548 2HD PRO 73 HD3 PRO 73 22.586 0.161 8.129 549 H THR 74 H THR 74 17.905 -0.541 11.056 550 HA THR 74 HA THR 74 18.208 -3.418 11.764 551 HB THR 74 HB THR 74 17.618 -1.140 13.696 552 HG1 THR 74 HG1 THR 74 19.615 -1.442 14.161 553 1HG2 THR 74 HG21 THR 74 17.273 -4.150 14.022 554 2HG2 THR 74 HG22 THR 74 17.484 -3.053 15.399 555 3HG2 THR 74 HG23 THR 74 16.088 -2.868 14.330 556 H LEU 75 H LEU 75 16.249 -4.523 11.825 557 HA LEU 75 HA LEU 75 13.999 -3.069 10.536 558 1HB LEU 75 HB2 LEU 75 15.075 -5.844 9.946 559 2HB LEU 75 HB3 LEU 75 13.660 -5.116 9.201 560 HG LEU 75 HG LEU 75 16.542 -4.149 8.890 561 1HD1 LEU 75 HD11 LEU 75 16.119 -6.274 7.782 562 2HD1 LEU 75 HD12 LEU 75 14.688 -5.598 6.964 563 3HD1 LEU 75 HD13 LEU 75 16.311 -4.987 6.589 564 1HD2 LEU 75 HD21 LEU 75 13.966 -3.113 7.629 565 2HD2 LEU 75 HD22 LEU 75 15.108 -2.234 8.664 566 3HD2 LEU 75 HD23 LEU 75 15.603 -2.722 7.048 567 H LEU 76 H LEU 76 12.039 -3.469 11.465 568 HA LEU 76 HA LEU 76 11.822 -5.693 13.491 569 1HB LEU 76 HB2 LEU 76 10.886 -2.798 13.644 570 2HB LEU 76 HB3 LEU 76 10.041 -4.071 14.491 571 HG LEU 76 HG LEU 76 11.593 -2.731 15.910 572 1HD1 LEU 76 HD11 LEU 76 10.869 -4.959 16.602 573 2HD1 LEU 76 HD12 LEU 76 12.191 -5.716 15.697 574 3HD1 LEU 76 HD13 LEU 76 12.543 -4.687 17.099 575 1HD2 LEU 76 HD21 LEU 76 13.946 -2.980 15.842 576 2HD2 LEU 76 HD22 LEU 76 13.877 -4.218 14.581 577 3HD2 LEU 76 HD23 LEU 76 13.446 -2.540 14.197 578 H VAL 77 H VAL 77 10.328 -7.095 12.765 579 HA VAL 77 HA VAL 77 8.483 -6.190 10.598 580 HB VAL 77 HB VAL 77 8.779 -9.025 11.611 581 1HG1 VAL 77 HG11 VAL 77 6.778 -8.412 10.263 582 2HG1 VAL 77 HG12 VAL 77 7.837 -7.881 8.945 583 3HG1 VAL 77 HG13 VAL 77 7.804 -9.591 9.430 584 1HG2 VAL 77 HG21 VAL 77 10.387 -7.790 9.338 585 2HG2 VAL 77 HG22 VAL 77 11.038 -8.494 10.831 586 3HG2 VAL 77 HG23 VAL 77 10.234 -9.530 9.649 587 H LEU 78 H LEU 78 6.468 -5.626 11.364 588 HA LEU 78 HA LEU 78 5.681 -6.581 14.072 589 1HB LEU 78 HB2 LEU 78 5.010 -3.907 12.754 590 2HB LEU 78 HB3 LEU 78 4.205 -4.571 14.166 591 HG LEU 78 HG LEU 78 6.710 -4.728 15.118 592 1HD1 LEU 78 HD11 LEU 78 8.020 -2.734 14.494 593 2HD1 LEU 78 HD12 LEU 78 7.820 -3.832 13.125 594 3HD1 LEU 78 HD13 LEU 78 6.852 -2.358 13.211 595 1HD2 LEU 78 HD21 LEU 78 5.138 -2.130 15.124 596 2HD2 LEU 78 HD22 LEU 78 4.838 -3.521 16.181 597 3HD2 LEU 78 HD23 LEU 78 6.364 -2.643 16.299 598 H LYS 79 H LYS 79 3.414 -7.027 14.259 599 HA LYS 79 HA LYS 79 1.887 -7.107 11.740 600 1HB LYS 79 HB2 LYS 79 2.780 -9.392 12.003 601 2HB LYS 79 HB3 LYS 79 2.087 -9.491 13.638 602 1HG LYS 79 HG2 LYS 79 -0.172 -9.215 12.690 603 2HG LYS 79 HG3 LYS 79 0.526 -9.018 11.065 604 1HD LYS 79 HD2 LYS 79 1.354 -11.315 11.106 605 2HD LYS 79 HD3 LYS 79 0.751 -11.536 12.768 606 1HE LYS 79 HE2 LYS 79 -1.562 -11.144 12.007 607 2HE LYS 79 HE3 LYS 79 -0.993 -10.812 10.366 608 1HZ LYS 79 HZ1 LYS 79 -1.821 -13.064 10.576 609 2HZ LYS 79 HZ2 LYS 79 -0.226 -13.083 10.211 610 3HZ LYS 79 HZ3 LYS 79 -0.735 -13.422 11.740 611 H ASP 80 H ASP 80 0.130 -5.974 12.120 612 HA ASP 80 HA ASP 80 -1.550 -4.883 13.134 613 1HB ASP 80 HB2 ASP 80 -2.404 -7.185 13.059 614 2HB ASP 80 HB3 ASP 80 -1.803 -7.472 14.693 615 H GLY 81 H GLY 81 0.919 -4.148 14.155 616 1HA GLY 81 HA2 GLY 81 1.275 -2.374 15.574 617 2HA GLY 81 HA3 GLY 81 -0.001 -2.926 16.653 618 H GLU 82 H GLU 82 1.919 -5.688 16.270 619 HA GLU 82 HA GLU 82 3.827 -4.857 18.397 620 1HB GLU 82 HB2 GLU 82 3.299 -6.778 19.652 621 2HB GLU 82 HB3 GLU 82 1.767 -6.001 19.215 622 1HG GLU 82 HG2 GLU 82 1.392 -7.681 17.453 623 2HG GLU 82 HG3 GLU 82 2.920 -8.470 17.856 624 H VAL 83 H VAL 83 5.803 -6.151 18.486 625 HA VAL 83 HA VAL 83 6.868 -6.696 15.883 626 HB VAL 83 HB VAL 83 8.018 -7.505 18.575 627 1HG1 VAL 83 HG11 VAL 83 9.320 -6.985 15.848 628 2HG1 VAL 83 HG12 VAL 83 10.189 -7.320 17.361 629 3HG1 VAL 83 HG13 VAL 83 9.162 -8.561 16.651 630 1HG2 VAL 83 HG21 VAL 83 9.301 -5.380 18.430 631 2HG2 VAL 83 HG22 VAL 83 8.333 -4.891 17.024 632 3HG2 VAL 83 HG23 VAL 83 7.576 -5.085 18.622 633 H VAL 84 H VAL 84 6.973 -8.426 14.740 634 HA VAL 84 HA VAL 84 6.148 -11.035 15.875 635 HB VAL 84 HB VAL 84 4.554 -9.763 14.304 636 1HG1 VAL 84 HG11 VAL 84 6.476 -10.785 12.177 637 2HG1 VAL 84 HG12 VAL 84 4.850 -10.153 11.889 638 3HG1 VAL 84 HG13 VAL 84 6.094 -9.089 12.544 639 1HG2 VAL 84 HG21 VAL 84 5.279 -12.629 13.688 640 2HG2 VAL 84 HG22 VAL 84 4.194 -12.058 14.971 641 3HG2 VAL 84 HG23 VAL 84 3.745 -11.814 13.278 642 H GLU 85 H GLU 85 8.659 -9.216 14.084 643 HA GLU 85 HA GLU 85 10.461 -11.420 14.537 644 1HB GLU 85 HB2 GLU 85 9.248 -11.197 11.866 645 2HB GLU 85 HB3 GLU 85 10.978 -10.949 11.774 646 1HG GLU 85 HG2 GLU 85 9.602 -13.365 13.008 647 2HG GLU 85 HG3 GLU 85 10.293 -13.272 11.399 648 H THR 86 H THR 86 12.759 -10.724 13.616 649 HA THR 86 HA THR 86 13.093 -7.797 13.410 650 HB THR 86 HB THR 86 14.392 -9.478 15.590 651 HG1 THR 86 HG1 THR 86 12.009 -8.291 15.493 652 1HG2 THR 86 HG21 THR 86 15.046 -7.258 16.570 653 2HG2 THR 86 HG22 THR 86 15.853 -7.615 15.041 654 3HG2 THR 86 HG23 THR 86 14.491 -6.475 15.074 655 H SER 87 H SER 87 15.197 -7.227 12.547 656 HA SER 87 HA SER 87 17.222 -9.287 12.142 657 1HB SER 87 HB2 SER 87 15.810 -7.906 9.821 658 2HB SER 87 HB3 SER 87 17.408 -8.655 9.672 659 HG SER 87 HG SER 87 15.417 -10.170 10.876 660 H VAL 88 H VAL 88 19.317 -8.283 11.653 661 HA VAL 88 HA VAL 88 19.437 -5.336 12.046 662 HB VAL 88 HB VAL 88 21.130 -7.401 13.498 663 1HG1 VAL 88 HG11 VAL 88 20.986 -4.368 13.788 664 2HG1 VAL 88 HG12 VAL 88 21.927 -5.456 14.828 665 3HG1 VAL 88 HG13 VAL 88 22.347 -5.298 13.123 666 1HG2 VAL 88 HG21 VAL 88 20.006 -6.648 15.582 667 2HG2 VAL 88 HG22 VAL 88 18.881 -5.677 14.614 668 3HG2 VAL 88 HG23 VAL 88 18.882 -7.450 14.491 669 H GLY 89 H GLY 89 21.051 -4.370 10.796 670 1HA GLY 89 HA2 GLY 89 22.847 -4.190 9.366 671 2HA GLY 89 HA3 GLY 89 23.196 -5.912 9.557 672 H PHE 90 H PHE 90 23.559 -5.330 7.118 673 HA PHE 90 HA PHE 90 21.339 -5.010 5.365 674 1HB PHE 90 HB2 PHE 90 23.709 -4.577 4.735 675 2HB PHE 90 HB3 PHE 90 24.073 -6.292 4.896 676 HD1 PHE 90 HD1 PHE 90 22.491 -3.711 2.790 677 HD2 PHE 90 HD2 PHE 90 23.267 -7.934 3.214 678 HE1 PHE 90 HE1 PHE 90 21.811 -4.079 0.427 679 HE2 PHE 90 HE2 PHE 90 22.576 -8.295 0.859 680 HZ PHE 90 HZ PHE 90 21.846 -6.369 -0.537 681 H LYS 91 H LYS 91 20.165 -6.429 4.116 682 HA LYS 91 HA LYS 91 20.299 -9.283 4.646 683 1HB LYS 91 HB2 LYS 91 18.667 -7.641 6.286 684 2HB LYS 91 HB3 LYS 91 17.567 -8.134 5.026 685 1HG LYS 91 HG2 LYS 91 17.431 -9.611 6.932 686 2HG LYS 91 HG3 LYS 91 17.988 -10.486 5.502 687 1HD LYS 91 HD2 LYS 91 19.191 -11.251 7.484 688 2HD LYS 91 HD3 LYS 91 20.307 -10.459 6.385 689 1HE LYS 91 HE2 LYS 91 19.721 -8.305 7.882 690 2HE LYS 91 HE3 LYS 91 19.244 -9.536 9.061 691 1HZ LYS 91 HZ1 LYS 91 21.523 -8.884 9.345 692 2HZ LYS 91 HZ2 LYS 91 21.528 -10.444 8.821 693 3HZ LYS 91 HZ3 LYS 91 21.886 -9.207 7.780 694 HA PRO 92 HA PRO 92 18.933 -8.762 0.404 695 1HB PRO 92 HB2 PRO 92 18.424 -11.339 -0.324 696 2HB PRO 92 HB3 PRO 92 20.081 -10.715 -0.072 697 1HG PRO 92 HG2 PRO 92 18.358 -12.290 1.856 698 2HG PRO 92 HG3 PRO 92 20.080 -12.560 1.442 699 1HD PRO 92 HD2 PRO 92 19.293 -11.177 3.675 700 2HD PRO 92 HD3 PRO 92 20.778 -10.751 2.773 701 H LYS 93 H LYS 93 16.974 -8.831 -0.833 702 HA LYS 93 HA LYS 93 14.644 -8.368 0.715 703 1HB LYS 93 HB2 LYS 93 13.440 -8.226 -1.436 704 2HB LYS 93 HB3 LYS 93 14.889 -7.244 -1.403 705 1HG LYS 93 HG2 LYS 93 16.093 -9.059 -2.685 706 2HG LYS 93 HG3 LYS 93 14.546 -9.932 -2.792 707 1HD LYS 93 HD2 LYS 93 13.580 -7.904 -3.938 708 2HD LYS 93 HD3 LYS 93 15.215 -7.191 -3.934 709 1HE LYS 93 HE2 LYS 93 16.078 -9.098 -5.235 710 2HE LYS 93 HE3 LYS 93 14.508 -9.913 -5.131 711 1HZ LYS 93 HZ1 LYS 93 14.761 -8.840 -7.251 712 2HZ LYS 93 HZ2 LYS 93 13.544 -8.118 -6.418 713 3HZ LYS 93 HZ3 LYS 93 15.022 -7.373 -6.564 714 H GLU 94 H GLU 94 15.777 -11.284 -0.976 715 HA GLU 94 HA GLU 94 13.357 -12.728 -0.849 716 1HB GLU 94 HB2 GLU 94 16.197 -13.846 -0.735 717 2HB GLU 94 HB3 GLU 94 14.726 -14.730 -1.123 718 1HG GLU 94 HG2 GLU 94 15.354 -14.353 -3.246 719 2HG GLU 94 HG3 GLU 94 14.502 -12.831 -3.023 720 H ALA 95 H ALA 95 16.020 -12.451 1.569 721 HA ALA 95 HA ALA 95 14.940 -14.410 3.355 722 1HB ALA 95 HB1 ALA 95 16.798 -12.050 3.903 723 2HB ALA 95 HB2 ALA 95 16.463 -13.382 5.027 724 3HB ALA 95 HB3 ALA 95 17.290 -13.716 3.495 725 H LEU 96 H LEU 96 14.674 -10.860 3.136 726 HA LEU 96 HA LEU 96 12.978 -10.554 5.401 727 1HB LEU 96 HB2 LEU 96 13.202 -8.830 2.903 728 2HB LEU 96 HB3 LEU 96 12.366 -8.370 4.389 729 HG LEU 96 HG LEU 96 15.351 -8.927 4.144 730 1HD1 LEU 96 HD11 LEU 96 14.671 -6.835 3.063 731 2HD1 LEU 96 HD12 LEU 96 13.826 -6.323 4.542 732 3HD1 LEU 96 HD13 LEU 96 15.592 -6.511 4.534 733 1HD2 LEU 96 HD21 LEU 96 14.613 -9.546 6.393 734 2HD2 LEU 96 HD22 LEU 96 15.500 -8.038 6.449 735 3HD2 LEU 96 HD23 LEU 96 13.726 -8.012 6.555 736 H GLN 97 H GLN 97 12.216 -11.165 1.972 737 HA GLN 97 HA GLN 97 9.400 -11.094 2.266 738 1HB GLN 97 HB2 GLN 97 11.334 -12.350 0.299 739 2HB GLN 97 HB3 GLN 97 9.657 -12.908 0.273 740 1HG GLN 97 HG2 GLN 97 8.800 -10.766 -0.088 741 2HG GLN 97 HG3 GLN 97 10.345 -9.966 0.249 742 1HE2 GLN 97 HE22 GLN 97 11.870 -9.761 -1.383 743 2HE2 GLN 97 HE21 GLN 97 11.415 -10.024 -3.074 744 H GLU 98 H GLU 98 11.705 -13.804 2.777 745 HA GLU 98 HA GLU 98 9.637 -15.679 3.332 746 1HB GLU 98 HB2 GLU 98 12.557 -15.566 4.177 747 2HB GLU 98 HB3 GLU 98 11.496 -16.880 4.670 748 1HG GLU 98 HG2 GLU 98 12.000 -16.123 1.760 749 2HG GLU 98 HG3 GLU 98 12.904 -17.348 2.637 750 H LEU 99 H LEU 99 11.393 -13.413 5.490 751 HA LEU 99 HA LEU 99 10.036 -14.309 7.869 752 1HB LEU 99 HB2 LEU 99 11.204 -11.558 7.279 753 2HB LEU 99 HB3 LEU 99 10.628 -12.111 8.847 754 HG LEU 99 HG LEU 99 13.030 -13.154 7.311 755 1HD1 LEU 99 HD11 LEU 99 13.317 -11.035 8.549 756 2HD1 LEU 99 HD12 LEU 99 12.764 -11.828 10.041 757 3HD1 LEU 99 HD13 LEU 99 14.273 -12.342 9.257 758 1HD2 LEU 99 HD21 LEU 99 12.034 -15.125 8.324 759 2HD2 LEU 99 HD22 LEU 99 13.445 -14.647 9.270 760 3HD2 LEU 99 HD23 LEU 99 11.816 -14.270 9.871 761 H VAL 100 H VAL 100 9.156 -11.719 5.527 762 HA VAL 100 HA VAL 100 6.734 -10.938 6.768 763 HB VAL 100 HB VAL 100 7.686 -11.045 3.885 764 1HG1 VAL 100 HG11 VAL 100 5.125 -9.747 4.871 765 2HG1 VAL 100 HG12 VAL 100 5.876 -9.481 3.277 766 3HG1 VAL 100 HG13 VAL 100 5.282 -11.084 3.708 767 1HG2 VAL 100 HG21 VAL 100 7.264 -8.609 5.651 768 2HG2 VAL 100 HG22 VAL 100 8.814 -9.449 5.513 769 3HG2 VAL 100 HG23 VAL 100 8.104 -8.722 4.077 770 H ASN 101 H ASN 101 7.406 -13.525 4.414 771 HA ASN 101 HA ASN 101 4.763 -14.395 4.025 772 1HB ASN 101 HB2 ASN 101 6.745 -14.826 2.572 773 2HB ASN 101 HB3 ASN 101 7.344 -15.995 3.753 774 1HD2 ASN 101 HD22 ASN 101 5.468 -15.551 0.976 775 2HD2 ASN 101 HD21 ASN 101 4.663 -17.101 0.951 776 H LYS 102 H LYS 102 7.120 -15.330 6.551 777 HA LYS 102 HA LYS 102 5.746 -17.592 7.587 778 1HB LYS 102 HB2 LYS 102 7.453 -15.479 8.969 779 2HB LYS 102 HB3 LYS 102 6.787 -16.872 9.807 780 1HG LYS 102 HG2 LYS 102 8.005 -18.406 8.298 781 2HG LYS 102 HG3 LYS 102 8.745 -17.017 7.487 782 1HD LYS 102 HD2 LYS 102 9.739 -16.282 9.645 783 2HD LYS 102 HD3 LYS 102 9.026 -17.704 10.439 784 1HE LYS 102 HE2 LYS 102 10.294 -19.178 8.860 785 2HE LYS 102 HE3 LYS 102 11.046 -17.746 8.147 786 1HZ LYS 102 HZ1 LYS 102 11.348 -18.627 10.964 787 2HZ LYS 102 HZ2 LYS 102 12.477 -18.758 9.801 788 3HZ LYS 102 HZ3 LYS 102 12.034 -17.282 10.334 789 H HIS 103 H HIS 103 4.856 -14.174 7.766 790 HA HIS 103 HA HIS 103 2.844 -14.848 9.868 791 1HB HIS 103 HB2 HIS 103 4.411 -12.277 9.517 792 2HB HIS 103 HB3 HIS 103 3.253 -12.641 10.799 793 HD1 HIS 103 HD1 HIS 103 4.082 -15.165 12.158 794 HD2 HIS 103 HD2 HIS 103 6.879 -12.689 10.219 795 HE1 HIS 103 HE1 HIS 103 6.368 -15.818 13.063 796 H LEU 104 H LEU 104 3.179 -13.525 6.656 797 HA LEU 104 HA LEU 104 0.755 -12.028 6.586 798 1HB LEU 104 HB2 LEU 104 2.253 -13.648 4.490 799 2HB LEU 104 HB3 LEU 104 0.695 -12.918 4.133 800 HG LEU 104 HG LEU 104 3.188 -11.390 4.954 801 1HD1 LEU 104 HD11 LEU 104 1.721 -11.622 2.283 802 2HD1 LEU 104 HD12 LEU 104 3.123 -10.583 2.608 803 3HD1 LEU 104 HD13 LEU 104 3.296 -12.344 2.675 804 1HD2 LEU 104 HD21 LEU 104 0.412 -10.398 4.166 805 2HD2 LEU 104 HD22 LEU 104 1.226 -10.146 5.720 806 3HD2 LEU 104 HD23 LEU 104 1.860 -9.369 4.276 Start of MODEL 14 1 1H MET 1 H1 MET 1 0.102 -1.582 -1.438 2 2H MET 1 H2 MET 1 -1.245 -0.705 -1.073 3 3H MET 1 H3 MET 1 -0.131 -0.116 -2.128 4 HA MET 1 HA MET 1 0.066 0.975 -0.012 5 1HB MET 1 HB2 MET 1 -0.791 -0.950 1.302 6 2HB MET 1 HB3 MET 1 0.709 -1.822 1.024 7 1HG MET 1 HG2 MET 1 0.544 -0.765 3.248 8 2HG MET 1 HG3 MET 1 1.960 -0.266 2.339 9 1HE MET 1 HE1 MET 1 -1.691 2.404 3.371 10 2HE MET 1 HE2 MET 1 -1.860 1.032 2.258 11 3HE MET 1 HE3 MET 1 -1.426 0.749 3.960 12 H ALA 2 H ALA 2 2.339 1.434 0.979 13 HA ALA 2 HA ALA 2 4.503 0.715 -0.898 14 1HB ALA 2 HB1 ALA 2 3.526 3.562 -0.414 15 2HB ALA 2 HB2 ALA 2 4.901 3.077 -1.429 16 3HB ALA 2 HB3 ALA 2 3.259 2.627 -1.906 17 H ILE 3 H ILE 3 6.468 2.359 -0.137 18 HA ILE 3 HA ILE 3 7.008 1.872 2.675 19 HB ILE 3 HB ILE 3 8.363 3.614 0.578 20 1HG1 ILE 3 HG12 ILE 3 9.727 1.153 1.628 21 2HG1 ILE 3 HG13 ILE 3 8.327 0.847 0.615 22 1HG2 ILE 3 HG21 ILE 3 10.376 3.582 2.088 23 2HG2 ILE 3 HG22 ILE 3 9.023 4.489 2.755 24 3HG2 ILE 3 HG23 ILE 3 9.370 2.855 3.358 25 1HD1 ILE 3 HD11 ILE 3 10.660 2.614 -0.203 26 2HD1 ILE 3 HD12 ILE 3 10.403 0.927 -0.686 27 3HD1 ILE 3 HD13 ILE 3 9.237 2.176 -1.192 28 H VAL 4 H VAL 4 6.917 3.362 4.325 29 HA VAL 4 HA VAL 4 5.675 6.022 3.908 30 HB VAL 4 HB VAL 4 4.943 3.965 6.043 31 1HG1 VAL 4 HG11 VAL 4 2.983 5.471 6.479 32 2HG1 VAL 4 HG12 VAL 4 4.522 6.163 6.927 33 3HG1 VAL 4 HG13 VAL 4 3.725 6.683 5.416 34 1HG2 VAL 4 HG21 VAL 4 3.378 4.768 3.552 35 2HG2 VAL 4 HG22 VAL 4 4.012 3.155 3.948 36 3HG2 VAL 4 HG23 VAL 4 2.703 3.834 4.902 37 H LYS 5 H LYS 5 6.080 7.330 5.969 38 HA LYS 5 HA LYS 5 8.663 6.620 7.275 39 1HB LYS 5 HB2 LYS 5 8.795 8.461 5.528 40 2HB LYS 5 HB3 LYS 5 7.789 9.441 6.588 41 1HG LYS 5 HG2 LYS 5 9.453 9.788 8.129 42 2HG LYS 5 HG3 LYS 5 10.155 8.180 7.936 43 1HD LYS 5 HD2 LYS 5 10.423 10.381 5.857 44 2HD LYS 5 HD3 LYS 5 11.631 10.059 7.117 45 1HE LYS 5 HE2 LYS 5 12.135 7.891 6.284 46 2HE LYS 5 HE3 LYS 5 10.663 7.803 5.331 47 1HZ LYS 5 HZ1 LYS 5 11.582 9.505 3.848 48 2HZ LYS 5 HZ2 LYS 5 12.943 9.628 4.737 49 3HZ LYS 5 HZ3 LYS 5 12.611 8.250 3.929 50 H ALA 6 H ALA 6 8.625 7.166 9.560 51 HA ALA 6 HA ALA 6 6.122 8.297 10.674 52 1HB ALA 6 HB1 ALA 6 5.816 6.348 12.172 53 2HB ALA 6 HB2 ALA 6 5.679 5.863 10.476 54 3HB ALA 6 HB3 ALA 6 7.175 5.522 11.380 55 H THR 7 H THR 7 6.259 8.508 13.040 56 HA THR 7 HA THR 7 8.948 8.622 14.219 57 HB THR 7 HB THR 7 8.082 10.699 15.444 58 HG1 THR 7 HG1 THR 7 6.491 11.890 14.383 59 1HG2 THR 7 HG21 THR 7 8.771 12.278 13.668 60 2HG2 THR 7 HG22 THR 7 9.836 10.869 13.699 61 3HG2 THR 7 HG23 THR 7 8.592 11.004 12.440 62 H ASP 8 H ASP 8 8.659 8.730 16.675 63 HA ASP 8 HA ASP 8 7.247 6.609 17.634 64 1HB ASP 8 HB2 ASP 8 9.045 8.001 18.811 65 2HB ASP 8 HB3 ASP 8 7.771 9.115 19.274 66 H GLN 9 H GLN 9 5.991 9.835 17.140 67 HA GLN 9 HA GLN 9 3.676 9.782 18.760 68 1HB GLN 9 HB2 GLN 9 4.238 11.227 16.136 69 2HB GLN 9 HB3 GLN 9 2.902 11.600 17.231 70 1HG GLN 9 HG2 GLN 9 4.523 12.163 19.033 71 2HG GLN 9 HG3 GLN 9 5.864 11.853 17.927 72 1HE2 GLN 9 HE22 GLN 9 3.260 14.112 18.755 73 2HE2 GLN 9 HE21 GLN 9 3.760 15.382 17.667 74 H SER 10 H SER 10 4.288 8.377 15.579 75 HA SER 10 HA SER 10 1.423 7.535 15.364 76 1HB SER 10 HB2 SER 10 3.165 8.598 13.112 77 2HB SER 10 HB3 SER 10 1.450 8.159 13.025 78 HG SER 10 HG SER 10 1.764 10.420 13.243 79 H PHE 11 H PHE 11 4.650 6.439 15.370 80 HA PHE 11 HA PHE 11 4.773 4.508 13.413 81 1HB PHE 11 HB2 PHE 11 6.595 5.160 14.956 82 2HB PHE 11 HB3 PHE 11 5.780 4.350 16.287 83 HD1 PHE 11 HD1 PHE 11 6.067 1.971 16.624 84 HD2 PHE 11 HD2 PHE 11 7.421 3.833 12.973 85 HE1 PHE 11 HE1 PHE 11 7.261 -0.109 15.994 86 HE2 PHE 11 HE2 PHE 11 8.610 1.760 12.354 87 HZ PHE 11 HZ PHE 11 8.528 -0.225 13.869 88 H SER 12 H SER 12 3.247 4.106 16.672 89 HA SER 12 HA SER 12 2.531 1.421 16.358 90 1HB SER 12 HB2 SER 12 0.970 3.509 17.913 91 2HB SER 12 HB3 SER 12 1.125 1.777 18.266 92 HG SER 12 HG SER 12 2.494 3.072 19.581 93 H ALA 13 H ALA 13 0.814 4.358 15.304 94 HA ALA 13 HA ALA 13 -1.617 3.011 14.597 95 1HB ALA 13 HB1 ALA 13 -1.537 5.450 15.029 96 2HB ALA 13 HB2 ALA 13 -0.508 5.671 13.594 97 3HB ALA 13 HB3 ALA 13 -2.172 5.090 13.412 98 H GLU 14 H GLU 14 1.328 3.981 12.818 99 HA GLU 14 HA GLU 14 0.402 3.081 10.281 100 1HB GLU 14 HB2 GLU 14 3.222 3.495 11.368 101 2HB GLU 14 HB3 GLU 14 2.906 3.002 9.710 102 1HG GLU 14 HG2 GLU 14 2.011 5.596 11.014 103 2HG GLU 14 HG3 GLU 14 3.284 5.397 9.810 104 H THR 15 H THR 15 2.247 1.407 12.855 105 HA THR 15 HA THR 15 2.532 -0.988 11.304 106 HB THR 15 HB THR 15 3.521 -1.848 13.444 107 HG1 THR 15 HG1 THR 15 3.338 0.834 14.299 108 1HG2 THR 15 HG21 THR 15 5.018 -0.922 11.805 109 2HG2 THR 15 HG22 THR 15 4.601 0.747 12.250 110 3HG2 THR 15 HG23 THR 15 5.493 -0.277 13.381 111 H SER 16 H SER 16 -0.204 0.168 12.810 112 HA SER 16 HA SER 16 -1.111 -2.356 13.851 113 1HB SER 16 HB2 SER 16 -2.563 0.213 13.133 114 2HB SER 16 HB3 SER 16 -3.338 -1.170 13.920 115 HG SER 16 HG SER 16 -1.105 0.283 14.967 116 H GLU 17 H GLU 17 -0.990 -1.016 10.652 117 HA GLU 17 HA GLU 17 -3.338 -2.500 9.762 118 1HB GLU 17 HB2 GLU 17 -1.431 -0.676 8.250 119 2HB GLU 17 HB3 GLU 17 -2.898 -1.413 7.577 120 1HG GLU 17 HG2 GLU 17 -4.224 -0.301 9.420 121 2HG GLU 17 HG3 GLU 17 -2.761 0.576 9.880 122 H GLY 18 H GLY 18 -2.296 -4.594 10.465 123 1HA GLY 18 HA2 GLY 18 -2.043 -6.704 9.503 124 2HA GLY 18 HA3 GLY 18 -1.571 -5.959 7.970 125 H VAL 19 H VAL 19 0.238 -7.328 7.765 126 HA VAL 19 HA VAL 19 2.444 -7.242 9.701 127 HB VAL 19 HB VAL 19 2.383 -8.203 6.799 128 1HG1 VAL 19 HG11 VAL 19 4.517 -8.582 8.958 129 2HG1 VAL 19 HG12 VAL 19 4.520 -9.353 7.359 130 3HG1 VAL 19 HG13 VAL 19 4.703 -7.604 7.491 131 1HG2 VAL 19 HG21 VAL 19 2.299 -9.777 9.413 132 2HG2 VAL 19 HG22 VAL 19 0.959 -9.612 8.256 133 3HG2 VAL 19 HG23 VAL 19 2.422 -10.477 7.786 134 H VAL 20 H VAL 20 4.031 -5.750 9.714 135 HA VAL 20 HA VAL 20 4.342 -3.856 7.469 136 HB VAL 20 HB VAL 20 4.022 -3.103 10.416 137 1HG1 VAL 20 HG11 VAL 20 4.529 -1.392 7.944 138 2HG1 VAL 20 HG12 VAL 20 4.087 -0.750 9.536 139 3HG1 VAL 20 HG13 VAL 20 5.617 -1.603 9.327 140 1HG2 VAL 20 HG21 VAL 20 1.983 -1.790 9.453 141 2HG2 VAL 20 HG22 VAL 20 2.145 -2.811 8.029 142 3HG2 VAL 20 HG23 VAL 20 1.817 -3.539 9.610 143 H LEU 21 H LEU 21 6.515 -3.347 7.174 144 HA LEU 21 HA LEU 21 8.455 -4.715 9.002 145 1HB LEU 21 HB2 LEU 21 8.066 -5.780 6.770 146 2HB LEU 21 HB3 LEU 21 8.726 -4.323 6.006 147 HG LEU 21 HG LEU 21 10.123 -6.288 7.878 148 1HD1 LEU 21 HD11 LEU 21 11.497 -6.802 5.904 149 2HD1 LEU 21 HD12 LEU 21 9.784 -7.062 5.563 150 3HD1 LEU 21 HD13 LEU 21 10.596 -5.606 4.945 151 1HD2 LEU 21 HD21 LEU 21 11.202 -3.681 6.748 152 2HD2 LEU 21 HD22 LEU 21 11.180 -4.237 8.450 153 3HD2 LEU 21 HD23 LEU 21 12.230 -5.018 7.282 154 H ALA 22 H ALA 22 9.335 -3.186 10.192 155 HA ALA 22 HA ALA 22 9.417 -0.401 9.224 156 1HB ALA 22 HB1 ALA 22 8.409 -0.748 11.423 157 2HB ALA 22 HB2 ALA 22 9.853 -1.639 11.961 158 3HB ALA 22 HB3 ALA 22 9.967 0.096 11.599 159 H ASP 23 H ASP 23 11.370 0.727 9.204 160 HA ASP 23 HA ASP 23 13.906 -0.861 9.273 161 1HB ASP 23 HB2 ASP 23 13.344 -0.653 6.968 162 2HB ASP 23 HB3 ASP 23 12.850 1.029 7.160 163 H PHE 24 H PHE 24 14.598 -0.143 11.166 164 HA PHE 24 HA PHE 24 14.528 2.668 11.998 165 1HB PHE 24 HB2 PHE 24 15.675 0.117 13.218 166 2HB PHE 24 HB3 PHE 24 15.937 1.716 13.884 167 HD1 PHE 24 HD1 PHE 24 13.085 -0.521 12.777 168 HD2 PHE 24 HD2 PHE 24 14.437 2.533 15.511 169 HE1 PHE 24 HE1 PHE 24 10.857 -0.468 13.842 170 HE2 PHE 24 HE2 PHE 24 12.203 2.575 16.557 171 HZ PHE 24 HZ PHE 24 10.380 1.125 15.672 172 H TRP 25 H TRP 25 15.906 4.016 11.086 173 HA TRP 25 HA TRP 25 18.610 3.236 10.370 174 1HB TRP 25 HB2 TRP 25 18.282 2.953 8.191 175 2HB TRP 25 HB3 TRP 25 16.567 2.947 8.465 176 HD1 TRP 25 HD1 TRP 25 19.199 4.729 6.602 177 HE1 TRP 25 HE1 TRP 25 18.265 6.777 5.394 178 HE3 TRP 25 HE3 TRP 25 14.756 5.177 9.065 179 HZ2 TRP 25 HZ2 TRP 25 16.132 8.672 5.799 180 HZ3 TRP 25 HZ3 TRP 25 13.351 7.217 8.743 181 HH2 TRP 25 HH2 TRP 25 14.073 8.992 7.163 182 H ALA 26 H ALA 26 19.400 5.494 9.016 183 HA ALA 26 HA ALA 26 18.084 7.861 9.936 184 1HB ALA 26 HB1 ALA 26 20.981 7.412 10.841 185 2HB ALA 26 HB2 ALA 26 19.995 8.886 11.055 186 3HB ALA 26 HB3 ALA 26 19.568 7.414 11.926 187 HA PRO 27 HA PRO 27 19.921 8.573 5.939 188 1HB PRO 27 HB2 PRO 27 19.935 11.297 5.652 189 2HB PRO 27 HB3 PRO 27 18.477 10.269 5.546 190 1HG PRO 27 HG2 PRO 27 19.478 11.860 7.931 191 2HG PRO 27 HG3 PRO 27 17.802 11.750 7.301 192 1HD PRO 27 HD2 PRO 27 18.695 10.264 9.430 193 2HD PRO 27 HD3 PRO 27 17.478 9.637 8.277 194 H TRP 28 H TRP 28 21.483 9.692 8.833 195 HA TRP 28 HA TRP 28 23.959 10.425 7.564 196 1HB TRP 28 HB2 TRP 28 23.950 9.542 10.393 197 2HB TRP 28 HB3 TRP 28 24.708 10.938 9.644 198 HD1 TRP 28 HD1 TRP 28 21.943 9.913 11.732 199 HE1 TRP 28 HE1 TRP 28 20.061 11.638 11.978 200 HE3 TRP 28 HE3 TRP 28 23.418 13.162 8.091 201 HZ2 TRP 28 HZ2 TRP 28 19.334 14.180 10.761 202 HZ3 TRP 28 HZ3 TRP 28 22.103 15.214 7.624 203 HH2 TRP 28 HH2 TRP 28 20.063 15.732 8.951 204 H CYS 29 H CYS 29 22.401 7.431 8.051 205 HA CYS 29 HA CYS 29 24.514 5.697 8.784 206 1HB CYS 29 HB2 CYS 29 21.985 5.305 8.865 207 2HB CYS 29 HB3 CYS 29 22.039 5.122 7.140 208 H GLY 30 H GLY 30 25.531 4.069 7.387 209 1HA GLY 30 HA2 GLY 30 25.864 4.836 4.504 210 2HA GLY 30 HA3 GLY 30 27.110 4.075 5.493 211 HA PRO 31 HA PRO 31 25.661 -0.026 4.641 212 1HB PRO 31 HB2 PRO 31 24.564 -0.439 7.423 213 2HB PRO 31 HB3 PRO 31 25.660 -1.492 6.482 214 1HG PRO 31 HG2 PRO 31 26.635 0.087 8.458 215 2HG PRO 31 HG3 PRO 31 27.517 -0.049 6.902 216 1HD PRO 31 HD2 PRO 31 25.657 2.167 7.812 217 2HD PRO 31 HD3 PRO 31 27.246 2.289 6.998 218 H CYS 32 H CYS 32 23.197 1.829 6.474 219 HA CYS 32 HA CYS 32 20.902 0.417 5.681 220 1HB CYS 32 HB2 CYS 32 21.058 3.429 5.926 221 2HB CYS 32 HB3 CYS 32 19.668 2.390 6.174 222 H LYS 33 H LYS 33 22.897 2.738 3.832 223 HA LYS 33 HA LYS 33 20.932 3.220 1.793 224 1HB LYS 33 HB2 LYS 33 23.944 3.502 1.512 225 2HB LYS 33 HB3 LYS 33 22.696 4.347 0.609 226 1HG LYS 33 HG2 LYS 33 23.371 4.737 3.558 227 2HG LYS 33 HG3 LYS 33 23.796 5.805 2.230 228 1HD LYS 33 HD2 LYS 33 21.450 6.399 1.874 229 2HD LYS 33 HD3 LYS 33 20.917 5.185 3.041 230 1HE LYS 33 HE2 LYS 33 20.866 7.426 4.059 231 2HE LYS 33 HE3 LYS 33 22.017 6.349 4.883 232 1HZ LYS 33 HZ1 LYS 33 23.800 7.473 3.967 233 2HZ LYS 33 HZ2 LYS 33 22.904 8.278 2.820 234 3HZ LYS 33 HZ3 LYS 33 22.789 8.662 4.411 235 H MET 34 H MET 34 23.158 0.570 2.428 236 HA MET 34 HA MET 34 23.251 -0.420 -0.267 237 1HB MET 34 HB2 MET 34 23.601 -1.955 2.336 238 2HB MET 34 HB3 MET 34 24.083 -2.485 0.723 239 1HG MET 34 HG2 MET 34 25.644 -0.497 0.628 240 2HG MET 34 HG3 MET 34 25.251 -0.176 2.316 241 1HE MET 34 HE1 MET 34 26.636 -3.558 4.003 242 2HE MET 34 HE2 MET 34 25.457 -2.240 4.174 243 3HE MET 34 HE3 MET 34 25.101 -3.620 3.117 244 H ILE 35 H ILE 35 21.161 -1.043 2.591 245 HA ILE 35 HA ILE 35 19.641 -3.007 1.093 246 HB ILE 35 HB ILE 35 20.230 -3.403 3.421 247 1HG1 ILE 35 HG12 ILE 35 17.228 -3.329 2.964 248 2HG1 ILE 35 HG13 ILE 35 18.339 -4.540 2.318 249 1HG2 ILE 35 HG21 ILE 35 20.051 -1.155 4.338 250 2HG2 ILE 35 HG22 ILE 35 18.281 -1.179 4.130 251 3HG2 ILE 35 HG23 ILE 35 19.083 -2.277 5.274 252 1HD1 ILE 35 HD11 ILE 35 17.258 -5.454 4.255 253 2HD1 ILE 35 HD12 ILE 35 18.948 -5.156 4.685 254 3HD1 ILE 35 HD13 ILE 35 17.670 -4.052 5.248 255 H ALA 36 H ALA 36 19.260 0.443 1.813 256 HA ALA 36 HA ALA 36 16.569 0.793 1.563 257 1HB ALA 36 HB1 ALA 36 18.738 2.544 0.341 258 2HB ALA 36 HB2 ALA 36 17.058 3.030 0.644 259 3HB ALA 36 HB3 ALA 36 18.118 2.609 2.003 260 HA PRO 37 HA PRO 37 16.374 0.677 -3.194 261 1HB PRO 37 HB2 PRO 37 18.286 -0.685 -4.649 262 2HB PRO 37 HB3 PRO 37 18.325 1.076 -4.333 263 1HG PRO 37 HG2 PRO 37 19.762 -1.123 -2.820 264 2HG PRO 37 HG3 PRO 37 20.429 0.431 -3.415 265 1HD PRO 37 HD2 PRO 37 19.654 0.137 -0.853 266 2HD PRO 37 HD3 PRO 37 19.323 1.659 -1.724 267 H VAL 38 H VAL 38 17.802 -2.032 -1.381 268 HA VAL 38 HA VAL 38 16.347 -4.059 -2.791 269 HB VAL 38 HB VAL 38 17.352 -4.299 0.069 270 1HG1 VAL 38 HG11 VAL 38 16.975 -6.283 -2.214 271 2HG1 VAL 38 HG12 VAL 38 17.572 -6.677 -0.576 272 3HG1 VAL 38 HG13 VAL 38 15.910 -6.122 -0.810 273 1HG2 VAL 38 HG21 VAL 38 19.461 -5.203 -0.865 274 2HG2 VAL 38 HG22 VAL 38 18.954 -4.712 -2.497 275 3HG2 VAL 38 HG23 VAL 38 19.277 -3.493 -1.246 276 H LEU 39 H LEU 39 15.684 -2.043 0.157 277 HA LEU 39 HA LEU 39 13.154 -3.203 0.710 278 1HB LEU 39 HB2 LEU 39 14.115 -0.355 1.194 279 2HB LEU 39 HB3 LEU 39 12.606 -1.009 1.801 280 HG LEU 39 HG LEU 39 15.357 -2.074 2.521 281 1HD1 LEU 39 HD11 LEU 39 14.970 -1.015 4.704 282 2HD1 LEU 39 HD12 LEU 39 14.951 0.190 3.410 283 3HD1 LEU 39 HD13 LEU 39 13.422 -0.354 4.129 284 1HD2 LEU 39 HD21 LEU 39 13.637 -3.836 2.692 285 2HD2 LEU 39 HD22 LEU 39 14.157 -3.325 4.299 286 3HD2 LEU 39 HD23 LEU 39 12.602 -2.756 3.649 287 H GLU 40 H GLU 40 14.058 -0.545 -1.566 288 HA GLU 40 HA GLU 40 11.365 -0.052 -2.358 289 1HB GLU 40 HB2 GLU 40 13.955 0.286 -3.913 290 2HB GLU 40 HB3 GLU 40 12.370 0.793 -4.502 291 1HG GLU 40 HG2 GLU 40 12.088 2.253 -2.512 292 2HG GLU 40 HG3 GLU 40 13.696 1.800 -1.949 293 H GLU 41 H GLU 41 13.744 -2.408 -3.674 294 HA GLU 41 HA GLU 41 11.932 -3.414 -5.649 295 1HB GLU 41 HB2 GLU 41 14.366 -4.679 -4.347 296 2HB GLU 41 HB3 GLU 41 13.469 -5.404 -5.682 297 1HG GLU 41 HG2 GLU 41 14.903 -2.719 -5.782 298 2HG GLU 41 HG3 GLU 41 15.482 -4.227 -6.466 299 H LEU 42 H LEU 42 12.491 -4.308 -2.274 300 HA LEU 42 HA LEU 42 10.798 -6.588 -2.185 301 1HB LEU 42 HB2 LEU 42 12.575 -5.875 -0.544 302 2HB LEU 42 HB3 LEU 42 11.510 -4.614 0.043 303 HG LEU 42 HG LEU 42 11.751 -6.625 1.449 304 1HD1 LEU 42 HD11 LEU 42 8.870 -6.198 0.611 305 2HD1 LEU 42 HD12 LEU 42 9.466 -6.878 2.134 306 3HD1 LEU 42 HD13 LEU 42 9.802 -5.193 1.749 307 1HD2 LEU 42 HD21 LEU 42 10.093 -8.076 -0.650 308 2HD2 LEU 42 HD22 LEU 42 11.823 -8.343 -0.320 309 3HD2 LEU 42 HD23 LEU 42 10.614 -8.707 0.925 310 H ASP 43 H ASP 43 10.182 -3.089 -1.571 311 HA ASP 43 HA ASP 43 7.462 -3.240 -0.911 312 1HB ASP 43 HB2 ASP 43 8.931 -1.163 -0.852 313 2HB ASP 43 HB3 ASP 43 8.756 -1.067 -2.614 314 H GLN 44 H GLN 44 9.028 -3.014 -4.103 315 HA GLN 44 HA GLN 44 6.570 -2.879 -5.564 316 1HB GLN 44 HB2 GLN 44 9.407 -3.575 -6.378 317 2HB GLN 44 HB3 GLN 44 8.086 -3.395 -7.536 318 1HG GLN 44 HG2 GLN 44 7.774 -1.078 -7.021 319 2HG GLN 44 HG3 GLN 44 8.780 -1.163 -5.572 320 1HE2 GLN 44 HE22 GLN 44 11.038 -1.364 -5.785 321 2HE2 GLN 44 HE21 GLN 44 11.929 -1.265 -7.301 322 H GLU 45 H GLU 45 8.034 -5.566 -3.999 323 HA GLU 45 HA GLU 45 6.735 -7.574 -5.750 324 1HB GLU 45 HB2 GLU 45 8.883 -7.659 -3.606 325 2HB GLU 45 HB3 GLU 45 8.108 -9.125 -4.208 326 1HG GLU 45 HG2 GLU 45 9.521 -7.109 -5.997 327 2HG GLU 45 HG3 GLU 45 10.311 -8.522 -5.298 328 H MET 46 H MET 46 6.700 -6.245 -2.454 329 HA MET 46 HA MET 46 4.560 -8.195 -1.738 330 1HB MET 46 HB2 MET 46 6.496 -6.729 0.080 331 2HB MET 46 HB3 MET 46 5.372 -8.007 0.530 332 1HG MET 46 HG2 MET 46 7.821 -8.246 -1.277 333 2HG MET 46 HG3 MET 46 7.643 -8.921 0.330 334 1HE MET 46 HE1 MET 46 5.437 -12.023 -0.156 335 2HE MET 46 HE2 MET 46 6.665 -11.217 0.847 336 3HE MET 46 HE3 MET 46 5.070 -10.443 0.579 337 H GLY 47 H GLY 47 4.879 -4.878 -2.431 338 1HA GLY 47 HA2 GLY 47 3.530 -3.609 -0.380 339 2HA GLY 47 HA3 GLY 47 3.573 -3.075 -2.063 340 H ASP 48 H ASP 48 2.030 -5.923 -2.368 341 HA ASP 48 HA ASP 48 -0.644 -4.766 -2.333 342 1HB ASP 48 HB2 ASP 48 0.053 -6.364 -4.101 343 2HB ASP 48 HB3 ASP 48 0.238 -7.624 -2.872 344 H LYS 49 H LYS 49 1.404 -6.693 -0.252 345 HA LYS 49 HA LYS 49 -0.846 -7.269 1.637 346 1HB LYS 49 HB2 LYS 49 1.815 -8.745 1.405 347 2HB LYS 49 HB3 LYS 49 0.419 -9.196 2.373 348 1HG LYS 49 HG2 LYS 49 0.685 -9.329 -0.651 349 2HG LYS 49 HG3 LYS 49 0.627 -10.672 0.490 350 1HD LYS 49 HD2 LYS 49 -1.737 -10.016 1.085 351 2HD LYS 49 HD3 LYS 49 -1.644 -8.754 -0.161 352 1HE LYS 49 HE2 LYS 49 -0.867 -10.752 -1.714 353 2HE LYS 49 HE3 LYS 49 -1.639 -11.767 -0.487 354 1HZ LYS 49 HZ1 LYS 49 -3.683 -10.432 -0.886 355 2HZ LYS 49 HZ2 LYS 49 -2.883 -9.598 -2.069 356 3HZ LYS 49 HZ3 LYS 49 -3.183 -11.201 -2.240 357 H LEU 50 H LEU 50 2.336 -5.825 1.209 358 HA LEU 50 HA LEU 50 2.717 -5.590 4.131 359 1HB LEU 50 HB2 LEU 50 4.315 -6.893 2.697 360 2HB LEU 50 HB3 LEU 50 4.617 -5.431 1.756 361 HG LEU 50 HG LEU 50 5.589 -4.340 3.781 362 1HD1 LEU 50 HD11 LEU 50 5.283 -7.114 5.021 363 2HD1 LEU 50 HD12 LEU 50 6.154 -5.738 5.728 364 3HD1 LEU 50 HD13 LEU 50 4.414 -5.657 5.538 365 1HD2 LEU 50 HD21 LEU 50 7.666 -5.698 3.781 366 2HD2 LEU 50 HD22 LEU 50 6.795 -6.945 2.848 367 3HD2 LEU 50 HD23 LEU 50 7.035 -5.325 2.170 368 H LYS 51 H LYS 51 3.567 -3.694 5.029 369 HA LYS 51 HA LYS 51 3.672 -1.217 3.377 370 1HB LYS 51 HB2 LYS 51 1.747 -1.161 5.036 371 2HB LYS 51 HB3 LYS 51 2.897 -1.493 6.323 372 1HG LYS 51 HG2 LYS 51 4.128 0.646 5.668 373 2HG LYS 51 HG3 LYS 51 2.803 0.997 4.562 374 1HD LYS 51 HD2 LYS 51 2.563 0.599 7.583 375 2HD LYS 51 HD3 LYS 51 2.668 2.163 6.768 376 1HE LYS 51 HE2 LYS 51 0.566 1.691 5.543 377 2HE LYS 51 HE3 LYS 51 0.437 0.117 6.355 378 1HZ LYS 51 HZ1 LYS 51 0.302 1.287 8.463 379 2HZ LYS 51 HZ2 LYS 51 0.442 2.751 7.715 380 3HZ LYS 51 HZ3 LYS 51 -0.892 1.822 7.457 381 H ILE 52 H ILE 52 5.646 -0.076 3.761 382 HA ILE 52 HA ILE 52 7.538 -1.393 5.642 383 HB ILE 52 HB ILE 52 8.160 0.025 3.041 384 1HG1 ILE 52 HG12 ILE 52 8.562 -2.874 3.904 385 2HG1 ILE 52 HG13 ILE 52 7.355 -2.290 2.755 386 1HG2 ILE 52 HG21 ILE 52 10.544 -0.428 3.510 387 2HG2 ILE 52 HG22 ILE 52 9.867 0.586 4.768 388 3HG2 ILE 52 HG23 ILE 52 10.115 -1.148 5.074 389 1HD1 ILE 52 HD11 ILE 52 10.343 -2.466 2.354 390 2HD1 ILE 52 HD12 ILE 52 9.025 -3.122 1.362 391 3HD1 ILE 52 HD13 ILE 52 9.339 -1.384 1.364 392 H VAL 53 H VAL 53 8.471 0.033 7.162 393 HA VAL 53 HA VAL 53 7.520 2.880 7.032 394 HB VAL 53 HB VAL 53 7.269 0.980 9.396 395 1HG1 VAL 53 HG11 VAL 53 6.240 2.923 10.575 396 2HG1 VAL 53 HG12 VAL 53 7.941 3.221 10.213 397 3HG1 VAL 53 HG13 VAL 53 6.683 3.976 9.211 398 1HG2 VAL 53 HG21 VAL 53 5.452 0.768 7.726 399 2HG2 VAL 53 HG22 VAL 53 4.866 1.501 9.222 400 3HG2 VAL 53 HG23 VAL 53 5.170 2.515 7.799 401 H LYS 54 H LYS 54 9.432 3.883 6.601 402 HA LYS 54 HA LYS 54 11.902 3.043 7.988 403 1HB LYS 54 HB2 LYS 54 11.332 5.420 6.163 404 2HB LYS 54 HB3 LYS 54 12.915 4.988 6.836 405 1HG LYS 54 HG2 LYS 54 12.804 2.782 5.681 406 2HG LYS 54 HG3 LYS 54 11.248 3.218 4.988 407 1HD LYS 54 HD2 LYS 54 12.985 3.528 3.328 408 2HD LYS 54 HD3 LYS 54 12.264 5.073 3.761 409 1HE LYS 54 HE2 LYS 54 14.602 5.434 3.572 410 2HE LYS 54 HE3 LYS 54 14.212 5.520 5.292 411 1HZ LYS 54 HZ1 LYS 54 15.057 3.174 5.463 412 2HZ LYS 54 HZ2 LYS 54 15.489 3.242 3.890 413 3HZ LYS 54 HZ3 LYS 54 16.197 4.238 4.977 414 H ILE 55 H ILE 55 12.761 4.082 9.806 415 HA ILE 55 HA ILE 55 11.427 6.520 10.789 416 HB ILE 55 HB ILE 55 10.114 4.855 11.810 417 1HG1 ILE 55 HG12 ILE 55 12.083 5.756 13.947 418 2HG1 ILE 55 HG13 ILE 55 10.951 6.846 13.144 419 1HG2 ILE 55 HG21 ILE 55 12.593 3.502 12.936 420 2HG2 ILE 55 HG22 ILE 55 10.911 3.037 13.224 421 3HG2 ILE 55 HG23 ILE 55 11.593 2.863 11.614 422 1HD1 ILE 55 HD11 ILE 55 10.174 4.426 14.819 423 2HD1 ILE 55 HD12 ILE 55 10.019 6.130 15.272 424 3HD1 ILE 55 HD13 ILE 55 9.041 5.484 13.945 425 H ASP 56 H ASP 56 12.828 7.950 11.435 426 HA ASP 56 HA ASP 56 15.670 7.380 11.183 427 1HB ASP 56 HB2 ASP 56 14.762 9.356 10.142 428 2HB ASP 56 HB3 ASP 56 14.142 9.942 11.688 429 H VAL 57 H VAL 57 16.619 6.442 12.962 430 HA VAL 57 HA VAL 57 15.525 6.580 15.571 431 HB VAL 57 HB VAL 57 17.548 5.482 16.333 432 1HG1 VAL 57 HG11 VAL 57 15.763 4.233 15.125 433 2HG1 VAL 57 HG12 VAL 57 16.709 4.350 13.631 434 3HG1 VAL 57 HG13 VAL 57 17.359 3.465 15.028 435 1HG2 VAL 57 HG21 VAL 57 19.411 4.915 14.837 436 2HG2 VAL 57 HG22 VAL 57 18.713 5.911 13.547 437 3HG2 VAL 57 HG23 VAL 57 19.295 6.664 15.044 438 H ASP 58 H ASP 58 17.613 8.900 13.929 439 HA ASP 58 HA ASP 58 18.887 9.939 16.290 440 1HB ASP 58 HB2 ASP 58 19.730 10.289 13.982 441 2HB ASP 58 HB3 ASP 58 18.328 11.312 13.639 442 H GLU 59 H GLU 59 15.668 10.253 15.060 443 HA GLU 59 HA GLU 59 15.080 12.461 16.997 444 1HB GLU 59 HB2 GLU 59 13.717 11.748 14.370 445 2HB GLU 59 HB3 GLU 59 13.157 12.980 15.512 446 1HG GLU 59 HG2 GLU 59 15.410 14.128 15.248 447 2HG GLU 59 HG3 GLU 59 15.735 13.034 13.900 448 H ASN 60 H ASN 60 14.983 9.208 16.815 449 HA ASN 60 HA ASN 60 12.364 8.929 18.204 450 1HB ASN 60 HB2 ASN 60 13.205 7.318 15.762 451 2HB ASN 60 HB3 ASN 60 11.850 6.933 16.814 452 1HD2 ASN 60 HD22 ASN 60 12.898 8.964 14.202 453 2HD2 ASN 60 HD21 ASN 60 11.383 9.823 13.994 454 H GLN 61 H GLN 61 14.889 9.057 19.343 455 HA GLN 61 HA GLN 61 16.165 6.602 19.854 456 1HB GLN 61 HB2 GLN 61 15.759 9.065 21.596 457 2HB GLN 61 HB3 GLN 61 16.802 7.720 22.055 458 1HG GLN 61 HG2 GLN 61 17.165 9.333 19.494 459 2HG GLN 61 HG3 GLN 61 18.002 9.668 21.006 460 1HE2 GLN 61 HE22 GLN 61 17.942 7.668 18.166 461 2HE2 GLN 61 HE21 GLN 61 19.330 6.664 18.575 462 H GLU 62 H GLU 62 13.129 7.937 21.197 463 HA GLU 62 HA GLU 62 12.872 6.068 23.321 464 1HB GLU 62 HB2 GLU 62 10.745 7.568 21.720 465 2HB GLU 62 HB3 GLU 62 10.436 6.688 23.217 466 1HG GLU 62 HG2 GLU 62 12.270 9.109 22.924 467 2HG GLU 62 HG3 GLU 62 10.641 9.121 23.580 468 H THR 63 H THR 63 11.576 5.970 19.918 469 HA THR 63 HA THR 63 10.295 3.471 20.257 470 HB THR 63 HB THR 63 11.338 4.361 17.622 471 HG1 THR 63 HG1 THR 63 9.280 5.708 19.043 472 1HG2 THR 63 HG21 THR 63 9.076 3.817 16.824 473 2HG2 THR 63 HG22 THR 63 9.773 2.454 17.704 474 3HG2 THR 63 HG23 THR 63 8.556 3.475 18.489 475 H ALA 64 H ALA 64 13.549 4.370 19.049 476 HA ALA 64 HA ALA 64 14.461 1.749 18.434 477 1HB ALA 64 HB1 ALA 64 16.740 2.785 18.736 478 2HB ALA 64 HB2 ALA 64 15.664 3.800 17.756 479 3HB ALA 64 HB3 ALA 64 15.980 4.207 19.457 480 H GLY 65 H GLY 65 14.652 3.597 21.533 481 1HA GLY 65 HA2 GLY 65 15.944 1.580 23.053 482 2HA GLY 65 HA3 GLY 65 14.929 2.895 23.679 483 H LYS 66 H LYS 66 12.563 2.020 22.125 484 HA LYS 66 HA LYS 66 11.191 0.469 23.979 485 1HB LYS 66 HB2 LYS 66 10.522 1.952 21.845 486 2HB LYS 66 HB3 LYS 66 10.320 0.359 21.135 487 1HG LYS 66 HG2 LYS 66 8.798 -0.294 22.960 488 2HG LYS 66 HG3 LYS 66 9.113 1.218 23.828 489 1HD LYS 66 HD2 LYS 66 7.854 1.038 21.090 490 2HD LYS 66 HD3 LYS 66 6.953 1.167 22.616 491 1HE LYS 66 HE2 LYS 66 7.957 3.364 23.083 492 2HE LYS 66 HE3 LYS 66 8.977 3.238 21.656 493 1HZ LYS 66 HZ1 LYS 66 6.071 3.655 21.722 494 2HZ LYS 66 HZ2 LYS 66 7.236 4.577 21.004 495 3HZ LYS 66 HZ3 LYS 66 6.821 3.139 20.361 496 H TYR 67 H TYR 67 13.120 -0.605 21.189 497 HA TYR 67 HA TYR 67 12.599 -3.439 22.012 498 1HB TYR 67 HB2 TYR 67 13.493 -2.736 19.250 499 2HB TYR 67 HB3 TYR 67 12.557 -4.116 19.802 500 HD1 TYR 67 HD1 TYR 67 12.486 -0.913 18.236 501 HD2 TYR 67 HD2 TYR 67 10.091 -3.533 20.690 502 HE1 TYR 67 HE1 TYR 67 10.521 0.412 17.705 503 HE2 TYR 67 HE2 TYR 67 8.066 -2.230 20.105 504 HH TYR 67 HH TYR 67 7.220 -0.391 18.947 505 H GLY 68 H GLY 68 14.901 -1.232 22.524 506 1HA GLY 68 HA2 GLY 68 17.150 -1.296 22.902 507 2HA GLY 68 HA3 GLY 68 17.045 -3.064 22.882 508 H VAL 69 H VAL 69 16.339 -0.706 20.255 509 HA VAL 69 HA VAL 69 17.919 -2.119 18.280 510 HB VAL 69 HB VAL 69 16.598 0.621 18.276 511 1HG1 VAL 69 HG11 VAL 69 17.851 -0.950 16.005 512 2HG1 VAL 69 HG12 VAL 69 16.763 0.439 15.779 513 3HG1 VAL 69 HG13 VAL 69 18.320 0.657 16.576 514 1HG2 VAL 69 HG21 VAL 69 14.944 -1.149 18.487 515 2HG2 VAL 69 HG22 VAL 69 14.881 -0.514 16.847 516 3HG2 VAL 69 HG23 VAL 69 15.689 -2.064 17.160 517 H MET 70 H MET 70 19.937 -2.331 19.172 518 HA MET 70 HA MET 70 21.477 -0.226 20.297 519 1HB MET 70 HB2 MET 70 23.318 -1.871 20.181 520 2HB MET 70 HB3 MET 70 21.839 -2.526 20.896 521 1HG MET 70 HG2 MET 70 21.323 -3.677 18.759 522 2HG MET 70 HG3 MET 70 22.804 -3.023 18.054 523 1HE MET 70 HE1 MET 70 22.019 -6.078 17.959 524 2HE MET 70 HE2 MET 70 23.512 -5.409 17.260 525 3HE MET 70 HE3 MET 70 23.587 -6.829 18.326 526 H SER 71 H SER 71 21.090 -1.279 16.989 527 HA SER 71 HA SER 71 23.065 0.630 15.969 528 1HB SER 71 HB2 SER 71 23.025 -2.348 15.278 529 2HB SER 71 HB3 SER 71 24.104 -1.130 14.578 530 HG SER 71 HG SER 71 25.136 -2.302 16.224 531 H ILE 72 H ILE 72 22.942 0.445 13.404 532 HA ILE 72 HA ILE 72 20.282 -0.276 12.440 533 HB ILE 72 HB ILE 72 20.095 1.848 11.184 534 1HG1 ILE 72 HG12 ILE 72 22.233 2.966 13.046 535 2HG1 ILE 72 HG13 ILE 72 22.508 2.550 11.353 536 1HG2 ILE 72 HG21 ILE 72 18.868 1.380 13.336 537 2HG2 ILE 72 HG22 ILE 72 20.095 2.337 14.186 538 3HG2 ILE 72 HG23 ILE 72 19.057 3.091 12.959 539 1HD1 ILE 72 HD11 ILE 72 22.133 4.930 11.541 540 2HD1 ILE 72 HD12 ILE 72 20.792 4.183 10.656 541 3HD1 ILE 72 HD13 ILE 72 20.578 4.681 12.350 542 HA PRO 73 HA PRO 73 19.394 0.174 10.018 543 1HB PRO 73 HB2 PRO 73 18.922 -1.750 8.141 544 2HB PRO 73 HB3 PRO 73 19.630 -0.158 7.747 545 1HG PRO 73 HG2 PRO 73 21.067 -2.788 8.190 546 2HG PRO 73 HG3 PRO 73 21.321 -1.603 6.874 547 1HD PRO 73 HD2 PRO 73 22.914 -1.682 9.096 548 2HD PRO 73 HD3 PRO 73 22.498 -0.137 8.301 549 H THR 74 H THR 74 17.764 -0.801 11.154 550 HA THR 74 HA THR 74 18.052 -3.676 11.886 551 HB THR 74 HB THR 74 17.528 -1.353 13.767 552 HG1 THR 74 HG1 THR 74 19.498 -1.754 14.294 553 1HG2 THR 74 HG21 THR 74 15.932 -3.020 14.428 554 2HG2 THR 74 HG22 THR 74 17.090 -4.341 14.201 555 3HG2 THR 74 HG23 THR 74 17.304 -3.186 15.530 556 H LEU 75 H LEU 75 16.176 -4.789 11.785 557 HA LEU 75 HA LEU 75 13.930 -3.339 10.485 558 1HB LEU 75 HB2 LEU 75 15.299 -5.972 9.904 559 2HB LEU 75 HB3 LEU 75 13.600 -5.747 9.512 560 HG LEU 75 HG LEU 75 14.086 -3.875 8.039 561 1HD1 LEU 75 HD11 LEU 75 16.028 -2.808 8.940 562 2HD1 LEU 75 HD12 LEU 75 17.013 -4.288 8.762 563 3HD1 LEU 75 HD13 LEU 75 16.445 -3.386 7.336 564 1HD2 LEU 75 HD21 LEU 75 14.155 -6.245 7.215 565 2HD2 LEU 75 HD22 LEU 75 15.159 -5.142 6.262 566 3HD2 LEU 75 HD23 LEU 75 15.914 -6.243 7.439 567 H LEU 76 H LEU 76 12.013 -3.542 11.515 568 HA LEU 76 HA LEU 76 11.710 -5.654 13.642 569 1HB LEU 76 HB2 LEU 76 10.823 -2.745 13.576 570 2HB LEU 76 HB3 LEU 76 9.931 -3.936 14.492 571 HG LEU 76 HG LEU 76 11.497 -2.537 15.849 572 1HD1 LEU 76 HD11 LEU 76 11.976 -5.553 15.849 573 2HD1 LEU 76 HD12 LEU 76 12.390 -4.442 17.173 574 3HD1 LEU 76 HD13 LEU 76 10.702 -4.663 16.701 575 1HD2 LEU 76 HD21 LEU 76 13.366 -2.504 14.153 576 2HD2 LEU 76 HD22 LEU 76 13.847 -2.868 15.821 577 3HD2 LEU 76 HD23 LEU 76 13.739 -4.171 14.623 578 H VAL 77 H VAL 77 10.094 -7.037 13.068 579 HA VAL 77 HA VAL 77 8.251 -6.175 10.875 580 HB VAL 77 HB VAL 77 8.404 -8.980 11.988 581 1HG1 VAL 77 HG11 VAL 77 7.404 -7.814 9.350 582 2HG1 VAL 77 HG12 VAL 77 7.339 -9.524 9.822 583 3HG1 VAL 77 HG13 VAL 77 6.390 -8.328 10.713 584 1HG2 VAL 77 HG21 VAL 77 10.661 -8.581 11.096 585 2HG2 VAL 77 HG22 VAL 77 9.738 -9.632 10.019 586 3HG2 VAL 77 HG23 VAL 77 9.972 -7.919 9.595 587 H LEU 78 H LEU 78 6.299 -5.558 11.591 588 HA LEU 78 HA LEU 78 5.452 -6.367 14.317 589 1HB LEU 78 HB2 LEU 78 4.858 -3.737 12.880 590 2HB LEU 78 HB3 LEU 78 4.077 -4.303 14.349 591 HG LEU 78 HG LEU 78 6.632 -4.500 15.191 592 1HD1 LEU 78 HD11 LEU 78 7.948 -2.553 14.462 593 2HD1 LEU 78 HD12 LEU 78 7.684 -3.691 13.139 594 3HD1 LEU 78 HD13 LEU 78 6.742 -2.200 13.211 595 1HD2 LEU 78 HD21 LEU 78 6.379 -2.402 16.353 596 2HD2 LEU 78 HD22 LEU 78 5.126 -1.870 15.218 597 3HD2 LEU 78 HD23 LEU 78 4.824 -3.236 16.307 598 H LYS 79 H LYS 79 3.220 -6.881 14.461 599 HA LYS 79 HA LYS 79 1.731 -7.036 11.915 600 1HB LYS 79 HB2 LYS 79 2.770 -9.232 12.140 601 2HB LYS 79 HB3 LYS 79 2.116 -9.416 13.784 602 1HG LYS 79 HG2 LYS 79 -0.166 -9.382 12.893 603 2HG LYS 79 HG3 LYS 79 0.450 -9.029 11.262 604 1HD LYS 79 HD2 LYS 79 1.597 -11.228 11.231 605 2HD LYS 79 HD3 LYS 79 0.945 -11.589 12.845 606 1HE LYS 79 HE2 LYS 79 -1.352 -11.443 11.992 607 2HE LYS 79 HE3 LYS 79 -0.769 -10.913 10.409 608 1HZ LYS 79 HZ1 LYS 79 -0.233 -13.576 11.585 609 2HZ LYS 79 HZ2 LYS 79 -1.320 -13.258 10.413 610 3HZ LYS 79 HZ3 LYS 79 0.273 -13.056 10.106 611 H ASP 80 H ASP 80 -0.145 -6.093 12.250 612 HA ASP 80 HA ASP 80 -1.917 -5.127 13.224 613 1HB ASP 80 HB2 ASP 80 -2.564 -7.494 13.323 614 2HB ASP 80 HB3 ASP 80 -1.896 -7.624 14.948 615 H GLY 81 H GLY 81 0.624 -4.233 14.220 616 1HA GLY 81 HA2 GLY 81 0.902 -2.345 15.507 617 2HA GLY 81 HA3 GLY 81 -0.404 -2.832 16.582 618 H GLU 82 H GLU 82 1.628 -5.565 16.397 619 HA GLU 82 HA GLU 82 3.401 -4.566 18.573 620 1HB GLU 82 HB2 GLU 82 2.993 -6.511 19.825 621 2HB GLU 82 HB3 GLU 82 1.414 -5.888 19.324 622 1HG GLU 82 HG2 GLU 82 1.274 -7.617 17.565 623 2HG GLU 82 HG3 GLU 82 2.848 -8.257 18.038 624 H VAL 83 H VAL 83 5.492 -5.614 18.699 625 HA VAL 83 HA VAL 83 6.635 -6.334 16.154 626 HB VAL 83 HB VAL 83 7.764 -6.743 18.945 627 1HG1 VAL 83 HG11 VAL 83 8.957 -8.091 17.249 628 2HG1 VAL 83 HG12 VAL 83 9.118 -6.673 16.193 629 3HG1 VAL 83 HG13 VAL 83 9.959 -6.740 17.758 630 1HG2 VAL 83 HG21 VAL 83 9.014 -4.658 18.513 631 2HG2 VAL 83 HG22 VAL 83 8.143 -4.424 16.991 632 3HG2 VAL 83 HG23 VAL 83 7.280 -4.345 18.544 633 H VAL 84 H VAL 84 6.777 -8.150 15.185 634 HA VAL 84 HA VAL 84 6.019 -10.650 16.580 635 HB VAL 84 HB VAL 84 4.391 -9.571 14.929 636 1HG1 VAL 84 HG11 VAL 84 5.802 -8.927 13.110 637 2HG1 VAL 84 HG12 VAL 84 6.401 -10.583 12.889 638 3HG1 VAL 84 HG13 VAL 84 4.716 -10.190 12.533 639 1HG2 VAL 84 HG21 VAL 84 4.072 -11.782 15.765 640 2HG2 VAL 84 HG22 VAL 84 3.646 -11.715 14.051 641 3HG2 VAL 84 HG23 VAL 84 5.189 -12.459 14.561 642 H GLU 85 H GLU 85 8.506 -8.966 14.639 643 HA GLU 85 HA GLU 85 10.317 -11.110 15.381 644 1HB GLU 85 HB2 GLU 85 9.349 -12.079 13.358 645 2HB GLU 85 HB3 GLU 85 9.728 -10.640 12.426 646 1HG GLU 85 HG2 GLU 85 11.194 -12.446 11.873 647 2HG GLU 85 HG3 GLU 85 12.130 -11.161 12.607 648 H THR 86 H THR 86 12.634 -10.534 14.719 649 HA THR 86 HA THR 86 13.052 -7.662 14.101 650 HB THR 86 HB THR 86 14.498 -9.140 16.332 651 HG1 THR 86 HG1 THR 86 12.332 -8.820 16.902 652 1HG2 THR 86 HG21 THR 86 15.127 -6.819 17.058 653 2HG2 THR 86 HG22 THR 86 15.807 -7.266 15.492 654 3HG2 THR 86 HG23 THR 86 14.395 -6.191 15.565 655 H SER 87 H SER 87 15.080 -7.300 13.004 656 HA SER 87 HA SER 87 17.054 -9.443 12.756 657 1HB SER 87 HB2 SER 87 15.590 -8.263 10.348 658 2HB SER 87 HB3 SER 87 17.082 -9.218 10.247 659 HG SER 87 HG SER 87 15.108 -10.377 11.762 660 H VAL 88 H VAL 88 19.132 -8.513 11.925 661 HA VAL 88 HA VAL 88 19.272 -5.539 12.042 662 HB VAL 88 HB VAL 88 21.080 -7.488 13.515 663 1HG1 VAL 88 HG11 VAL 88 21.034 -4.438 13.491 664 2HG1 VAL 88 HG12 VAL 88 22.015 -5.432 14.587 665 3HG1 VAL 88 HG13 VAL 88 22.320 -5.484 12.852 666 1HG2 VAL 88 HG21 VAL 88 20.165 -6.512 15.605 667 2HG2 VAL 88 HG22 VAL 88 18.989 -5.589 14.651 668 3HG2 VAL 88 HG23 VAL 88 18.925 -7.366 14.693 669 H GLY 89 H GLY 89 20.830 -4.661 10.652 670 1HA GLY 89 HA2 GLY 89 22.613 -4.586 9.206 671 2HA GLY 89 HA3 GLY 89 22.909 -6.308 9.449 672 H PHE 90 H PHE 90 23.308 -5.670 6.999 673 HA PHE 90 HA PHE 90 21.109 -5.419 5.211 674 1HB PHE 90 HB2 PHE 90 23.477 -4.897 4.640 675 2HB PHE 90 HB3 PHE 90 23.898 -6.598 4.795 676 HD1 PHE 90 HD1 PHE 90 23.202 -8.249 3.072 677 HD2 PHE 90 HD2 PHE 90 22.285 -4.052 2.671 678 HE1 PHE 90 HE1 PHE 90 22.571 -8.612 0.700 679 HE2 PHE 90 HE2 PHE 90 21.661 -4.422 0.293 680 HZ PHE 90 HZ PHE 90 21.791 -6.701 -0.689 681 H LYS 91 H LYS 91 20.117 -6.894 3.832 682 HA LYS 91 HA LYS 91 20.314 -9.747 4.360 683 1HB LYS 91 HB2 LYS 91 18.392 -8.133 5.762 684 2HB LYS 91 HB3 LYS 91 17.504 -8.822 4.427 685 1HG LYS 91 HG2 LYS 91 17.287 -10.175 6.410 686 2HG LYS 91 HG3 LYS 91 18.077 -11.071 5.109 687 1HD LYS 91 HD2 LYS 91 19.105 -11.616 7.243 688 2HD LYS 91 HD3 LYS 91 20.264 -10.792 6.211 689 1HE LYS 91 HE2 LYS 91 19.456 -8.615 7.482 690 2HE LYS 91 HE3 LYS 91 18.809 -9.757 8.669 691 1HZ LYS 91 HZ1 LYS 91 21.611 -9.485 7.774 692 2HZ LYS 91 HZ2 LYS 91 21.029 -9.077 9.252 693 3HZ LYS 91 HZ3 LYS 91 21.111 -10.661 8.824 694 HA PRO 92 HA PRO 92 19.461 -9.208 -0.012 695 1HB PRO 92 HB2 PRO 92 18.943 -11.807 -0.789 696 2HB PRO 92 HB3 PRO 92 20.587 -11.162 -0.468 697 1HG PRO 92 HG2 PRO 92 18.813 -12.775 1.363 698 2HG PRO 92 HG3 PRO 92 20.567 -12.965 1.073 699 1HD PRO 92 HD2 PRO 92 19.576 -11.639 3.256 700 2HD PRO 92 HD3 PRO 92 21.093 -11.135 2.455 701 H LYS 93 H LYS 93 17.719 -9.354 -1.511 702 HA LYS 93 HA LYS 93 15.213 -8.651 -0.538 703 1HB LYS 93 HB2 LYS 93 16.232 -8.241 -2.803 704 2HB LYS 93 HB3 LYS 93 15.916 -9.917 -3.233 705 1HG LYS 93 HG2 LYS 93 13.525 -9.589 -3.078 706 2HG LYS 93 HG3 LYS 93 13.737 -7.987 -2.337 707 1HD LYS 93 HD2 LYS 93 13.202 -7.606 -4.619 708 2HD LYS 93 HD3 LYS 93 14.934 -7.244 -4.392 709 1HE LYS 93 HE2 LYS 93 15.508 -9.470 -5.355 710 2HE LYS 93 HE3 LYS 93 13.791 -9.835 -5.554 711 1HZ LYS 93 HZ1 LYS 93 15.247 -7.657 -6.946 712 2HZ LYS 93 HZ2 LYS 93 14.776 -9.064 -7.611 713 3HZ LYS 93 HZ3 LYS 93 13.653 -7.990 -7.132 714 H GLU 94 H GLU 94 16.232 -11.804 -1.786 715 HA GLU 94 HA GLU 94 13.764 -13.147 -1.529 716 1HB GLU 94 HB2 GLU 94 15.739 -13.980 -2.770 717 2HB GLU 94 HB3 GLU 94 16.571 -14.304 -1.242 718 1HG GLU 94 HG2 GLU 94 14.831 -15.951 -0.628 719 2HG GLU 94 HG3 GLU 94 13.918 -15.557 -2.087 720 H ALA 95 H ALA 95 16.392 -12.710 0.897 721 HA ALA 95 HA ALA 95 15.122 -14.333 2.894 722 1HB ALA 95 HB1 ALA 95 17.526 -13.886 2.997 723 2HB ALA 95 HB2 ALA 95 17.207 -12.140 3.197 724 3HB ALA 95 HB3 ALA 95 16.724 -13.290 4.459 725 H LEU 96 H LEU 96 15.021 -10.850 2.103 726 HA LEU 96 HA LEU 96 13.379 -10.081 4.297 727 1HB LEU 96 HB2 LEU 96 13.525 -8.949 1.490 728 2HB LEU 96 HB3 LEU 96 12.646 -8.210 2.823 729 HG LEU 96 HG LEU 96 15.663 -8.632 2.767 730 1HD1 LEU 96 HD11 LEU 96 14.008 -6.098 2.458 731 2HD1 LEU 96 HD12 LEU 96 15.785 -6.208 2.457 732 3HD1 LEU 96 HD13 LEU 96 14.853 -6.943 1.146 733 1HD2 LEU 96 HD21 LEU 96 13.875 -7.213 4.787 734 2HD2 LEU 96 HD22 LEU 96 14.858 -8.670 5.074 735 3HD2 LEU 96 HD23 LEU 96 15.648 -7.130 4.753 736 H GLN 97 H GLN 97 12.507 -11.324 1.044 737 HA GLN 97 HA GLN 97 9.696 -11.142 1.486 738 1HB GLN 97 HB2 GLN 97 11.421 -12.888 -0.317 739 2HB GLN 97 HB3 GLN 97 9.691 -13.212 -0.167 740 1HG GLN 97 HG2 GLN 97 9.107 -11.017 -0.907 741 2HG GLN 97 HG3 GLN 97 10.796 -10.489 -0.882 742 1HE2 GLN 97 HE22 GLN 97 12.134 -10.916 -2.594 743 2HE2 GLN 97 HE21 GLN 97 11.623 -11.738 -4.059 744 H GLU 98 H GLU 98 12.055 -13.678 2.376 745 HA GLU 98 HA GLU 98 10.036 -15.470 3.340 746 1HB GLU 98 HB2 GLU 98 12.998 -15.253 4.006 747 2HB GLU 98 HB3 GLU 98 11.937 -16.485 4.697 748 1HG GLU 98 HG2 GLU 98 11.335 -17.251 2.404 749 2HG GLU 98 HG3 GLU 98 12.486 -16.104 1.725 750 H LEU 99 H LEU 99 11.901 -12.874 4.930 751 HA LEU 99 HA LEU 99 10.994 -13.211 7.562 752 1HB LEU 99 HB2 LEU 99 12.938 -11.878 6.867 753 2HB LEU 99 HB3 LEU 99 11.901 -10.794 5.950 754 HG LEU 99 HG LEU 99 10.787 -10.075 8.012 755 1HD1 LEU 99 HD11 LEU 99 11.194 -11.977 9.490 756 2HD1 LEU 99 HD12 LEU 99 12.954 -11.785 9.325 757 3HD1 LEU 99 HD13 LEU 99 12.002 -10.565 10.192 758 1HD2 LEU 99 HD21 LEU 99 13.807 -9.711 7.973 759 2HD2 LEU 99 HD22 LEU 99 12.630 -8.794 7.010 760 3HD2 LEU 99 HD23 LEU 99 12.632 -8.638 8.774 761 H VAL 100 H VAL 100 9.539 -11.392 4.795 762 HA VAL 100 HA VAL 100 7.261 -10.464 6.270 763 HB VAL 100 HB VAL 100 7.730 -10.985 3.304 764 1HG1 VAL 100 HG11 VAL 100 5.856 -9.383 2.899 765 2HG1 VAL 100 HG12 VAL 100 5.337 -10.907 3.616 766 3HG1 VAL 100 HG13 VAL 100 5.461 -9.459 4.634 767 1HG2 VAL 100 HG21 VAL 100 9.190 -9.205 4.458 768 2HG2 VAL 100 HG22 VAL 100 8.284 -8.741 3.032 769 3HG2 VAL 100 HG23 VAL 100 7.703 -8.282 4.668 770 H ASN 101 H ASN 101 7.853 -13.261 4.158 771 HA ASN 101 HA ASN 101 5.251 -14.199 3.906 772 1HB ASN 101 HB2 ASN 101 7.236 -14.806 2.515 773 2HB ASN 101 HB3 ASN 101 7.806 -15.852 3.822 774 1HD2 ASN 101 HD22 ASN 101 5.860 -15.611 1.032 775 2HD2 ASN 101 HD21 ASN 101 5.032 -17.143 1.166 776 H LYS 102 H LYS 102 7.661 -15.001 6.414 777 HA LYS 102 HA LYS 102 6.171 -17.189 7.495 778 1HB LYS 102 HB2 LYS 102 7.663 -17.101 9.385 779 2HB LYS 102 HB3 LYS 102 8.563 -16.955 7.873 780 1HG LYS 102 HG2 LYS 102 8.826 -14.553 8.200 781 2HG LYS 102 HG3 LYS 102 7.802 -14.601 9.628 782 1HD LYS 102 HD2 LYS 102 10.488 -16.006 9.391 783 2HD LYS 102 HD3 LYS 102 10.238 -14.411 10.123 784 1HE LYS 102 HE2 LYS 102 8.687 -15.399 11.788 785 2HE LYS 102 HE3 LYS 102 8.948 -17.000 11.083 786 1HZ LYS 102 HZ1 LYS 102 10.338 -16.773 12.970 787 2HZ LYS 102 HZ2 LYS 102 11.331 -16.734 11.682 788 3HZ LYS 102 HZ3 LYS 102 10.974 -15.352 12.506 789 H HIS 103 H HIS 103 5.334 -13.912 7.600 790 HA HIS 103 HA HIS 103 3.574 -14.385 9.974 791 1HB HIS 103 HB2 HIS 103 4.777 -11.770 8.993 792 2HB HIS 103 HB3 HIS 103 3.656 -11.946 10.342 793 HD1 HIS 103 HD1 HIS 103 4.716 -13.805 12.343 794 HD2 HIS 103 HD2 HIS 103 7.276 -11.835 9.652 795 HE1 HIS 103 HE1 HIS 103 7.052 -13.929 13.351 796 H LEU 104 H LEU 104 3.548 -13.942 6.577 797 HA LEU 104 HA LEU 104 1.117 -12.450 6.301 798 1HB LEU 104 HB2 LEU 104 2.424 -14.555 4.533 799 2HB LEU 104 HB3 LEU 104 0.966 -13.675 4.090 800 HG LEU 104 HG LEU 104 3.724 -12.478 4.525 801 1HD1 LEU 104 HD11 LEU 104 2.003 -12.724 2.024 802 2HD1 LEU 104 HD12 LEU 104 3.620 -11.997 2.122 803 3HD1 LEU 104 HD13 LEU 104 3.412 -13.732 2.407 804 1HD2 LEU 104 HD21 LEU 104 2.706 -10.345 3.669 805 2HD2 LEU 104 HD22 LEU 104 1.099 -11.085 3.857 806 3HD2 LEU 104 HD23 LEU 104 2.140 -10.802 5.272 Start of MODEL 15 1 1H MET 1 H1 MET 1 -0.114 -1.565 -0.672 2 2H MET 1 H2 MET 1 -1.388 -0.865 0.109 3 3H MET 1 H3 MET 1 -0.609 -0.066 -1.098 4 HA MET 1 HA MET 1 0.041 0.819 1.033 5 1HB MET 1 HB2 MET 1 0.901 -2.059 1.505 6 2HB MET 1 HB3 MET 1 1.569 -0.710 2.423 7 1HG MET 1 HG2 MET 1 -1.361 -1.497 2.306 8 2HG MET 1 HG3 MET 1 -0.237 -1.810 3.624 9 1HE MET 1 HE1 MET 1 -3.079 -0.467 4.044 10 2HE MET 1 HE2 MET 1 -1.915 -0.825 5.340 11 3HE MET 1 HE3 MET 1 -2.649 0.791 5.224 12 H ALA 2 H ALA 2 2.507 1.195 1.607 13 HA ALA 2 HA ALA 2 4.305 0.848 -0.672 14 1HB ALA 2 HB1 ALA 2 3.276 3.598 0.167 15 2HB ALA 2 HB2 ALA 2 4.526 3.271 -1.052 16 3HB ALA 2 HB3 ALA 2 2.859 2.769 -1.351 17 H ILE 3 H ILE 3 6.311 2.511 -0.032 18 HA ILE 3 HA ILE 3 7.090 1.958 2.734 19 HB ILE 3 HB ILE 3 8.339 3.618 0.517 20 1HG1 ILE 3 HG12 ILE 3 9.713 1.152 1.534 21 2HG1 ILE 3 HG13 ILE 3 8.220 0.841 0.665 22 1HG2 ILE 3 HG21 ILE 3 10.434 3.554 1.896 23 2HG2 ILE 3 HG22 ILE 3 9.151 4.519 2.628 24 3HG2 ILE 3 HG23 ILE 3 9.490 2.888 3.247 25 1HD1 ILE 3 HD11 ILE 3 10.166 0.828 -0.816 26 2HD1 ILE 3 HD12 ILE 3 8.985 2.088 -1.263 27 3HD1 ILE 3 HD13 ILE 3 10.503 2.524 -0.422 28 H VAL 4 H VAL 4 7.088 3.484 4.376 29 HA VAL 4 HA VAL 4 5.810 6.134 3.961 30 HB VAL 4 HB VAL 4 5.085 4.056 6.072 31 1HG1 VAL 4 HG11 VAL 4 3.092 5.536 6.497 32 2HG1 VAL 4 HG12 VAL 4 4.618 6.204 7.010 33 3HG1 VAL 4 HG13 VAL 4 3.864 6.779 5.493 34 1HG2 VAL 4 HG21 VAL 4 2.849 3.934 4.912 35 2HG2 VAL 4 HG22 VAL 4 3.539 4.880 3.579 36 3HG2 VAL 4 HG23 VAL 4 4.170 3.264 3.972 37 H LYS 5 H LYS 5 6.128 7.455 6.002 38 HA LYS 5 HA LYS 5 8.750 6.932 7.332 39 1HB LYS 5 HB2 LYS 5 8.710 8.883 5.671 40 2HB LYS 5 HB3 LYS 5 7.454 9.607 6.662 41 1HG LYS 5 HG2 LYS 5 9.506 10.687 7.194 42 2HG LYS 5 HG3 LYS 5 9.015 9.747 8.587 43 1HD LYS 5 HD2 LYS 5 11.442 9.601 8.206 44 2HD LYS 5 HD3 LYS 5 10.681 8.026 8.078 45 1HE LYS 5 HE2 LYS 5 12.327 8.237 6.323 46 2HE LYS 5 HE3 LYS 5 10.716 8.174 5.608 47 1HZ LYS 5 HZ1 LYS 5 10.821 10.587 5.308 48 2HZ LYS 5 HZ2 LYS 5 12.283 10.670 6.028 49 3HZ LYS 5 HZ3 LYS 5 12.115 9.905 4.601 50 H ALA 6 H ALA 6 8.671 7.373 9.615 51 HA ALA 6 HA ALA 6 6.126 8.292 10.796 52 1HB ALA 6 HB1 ALA 6 5.947 6.282 12.241 53 2HB ALA 6 HB2 ALA 6 5.795 5.849 10.532 54 3HB ALA 6 HB3 ALA 6 7.325 5.550 11.394 55 H THR 7 H THR 7 6.289 8.388 13.174 56 HA THR 7 HA THR 7 8.949 8.487 14.364 57 HB THR 7 HB THR 7 8.191 10.571 15.635 58 HG1 THR 7 HG1 THR 7 6.424 10.764 13.421 59 1HG2 THR 7 HG21 THR 7 8.907 12.198 13.921 60 2HG2 THR 7 HG22 THR 7 9.964 10.784 13.988 61 3HG2 THR 7 HG23 THR 7 8.784 10.941 12.668 62 H ASP 8 H ASP 8 8.563 8.568 16.848 63 HA ASP 8 HA ASP 8 6.901 6.582 17.794 64 1HB ASP 8 HB2 ASP 8 8.683 7.722 19.121 65 2HB ASP 8 HB3 ASP 8 7.648 9.136 19.258 66 H GLN 9 H GLN 9 5.973 9.864 17.036 67 HA GLN 9 HA GLN 9 3.571 10.189 18.440 68 1HB GLN 9 HB2 GLN 9 4.270 11.176 15.643 69 2HB GLN 9 HB3 GLN 9 3.042 11.858 16.706 70 1HG GLN 9 HG2 GLN 9 4.777 12.552 18.320 71 2HG GLN 9 HG3 GLN 9 6.039 11.845 17.303 72 1HE2 GLN 9 HE22 GLN 9 6.118 12.665 14.961 73 2HE2 GLN 9 HE21 GLN 9 5.854 14.386 14.735 74 H SER 10 H SER 10 4.207 8.344 15.482 75 HA SER 10 HA SER 10 1.328 7.565 15.306 76 1HB SER 10 HB2 SER 10 3.022 8.506 12.960 77 2HB SER 10 HB3 SER 10 1.305 8.075 12.937 78 HG SER 10 HG SER 10 1.633 10.340 13.008 79 H PHE 11 H PHE 11 4.542 6.455 15.355 80 HA PHE 11 HA PHE 11 4.690 4.526 13.390 81 1HB PHE 11 HB2 PHE 11 6.513 5.196 14.908 82 2HB PHE 11 HB3 PHE 11 5.707 4.419 16.263 83 HD1 PHE 11 HD1 PHE 11 5.836 1.990 16.560 84 HD2 PHE 11 HD2 PHE 11 7.502 3.883 13.059 85 HE1 PHE 11 HE1 PHE 11 7.065 -0.095 16.005 86 HE2 PHE 11 HE2 PHE 11 8.737 1.818 12.524 87 HZ PHE 11 HZ PHE 11 8.524 -0.188 14.003 88 H SER 12 H SER 12 3.055 4.201 16.584 89 HA SER 12 HA SER 12 2.436 1.457 16.396 90 1HB SER 12 HB2 SER 12 0.561 2.245 18.037 91 2HB SER 12 HB3 SER 12 2.258 2.422 18.513 92 HG SER 12 HG SER 12 1.040 4.330 18.894 93 H ALA 13 H ALA 13 0.609 4.336 15.342 94 HA ALA 13 HA ALA 13 -1.671 2.883 14.432 95 1HB ALA 13 HB1 ALA 13 -2.256 4.955 13.233 96 2HB ALA 13 HB2 ALA 13 -1.735 5.318 14.890 97 3HB ALA 13 HB3 ALA 13 -0.633 5.607 13.521 98 H GLU 14 H GLU 14 1.308 3.992 12.807 99 HA GLU 14 HA GLU 14 0.535 3.117 10.217 100 1HB GLU 14 HB2 GLU 14 3.288 3.585 11.441 101 2HB GLU 14 HB3 GLU 14 3.069 3.103 9.766 102 1HG GLU 14 HG2 GLU 14 2.066 5.667 11.047 103 2HG GLU 14 HG3 GLU 14 3.380 5.495 9.882 104 H THR 15 H THR 15 2.121 1.365 12.896 105 HA THR 15 HA THR 15 2.584 -0.948 11.245 106 HB THR 15 HB THR 15 3.475 -1.870 13.408 107 HG1 THR 15 HG1 THR 15 3.279 0.803 14.287 108 1HG2 THR 15 HG21 THR 15 5.009 -0.917 11.811 109 2HG2 THR 15 HG22 THR 15 4.593 0.742 12.283 110 3HG2 THR 15 HG23 THR 15 5.458 -0.310 13.410 111 H SER 16 H SER 16 -0.270 0.110 12.375 112 HA SER 16 HA SER 16 -1.196 -2.556 13.251 113 1HB SER 16 HB2 SER 16 -2.407 0.205 13.663 114 2HB SER 16 HB3 SER 16 -3.101 -1.321 14.244 115 HG SER 16 HG SER 16 -0.700 -0.046 15.034 116 H GLU 17 H GLU 17 -0.708 -1.936 10.449 117 HA GLU 17 HA GLU 17 -3.465 -2.300 9.404 118 1HB GLU 17 HB2 GLU 17 -1.374 -0.438 8.225 119 2HB GLU 17 HB3 GLU 17 -2.946 -0.834 7.503 120 1HG GLU 17 HG2 GLU 17 -4.043 0.034 9.618 121 2HG GLU 17 HG3 GLU 17 -2.465 0.684 10.082 122 H GLY 18 H GLY 18 -1.668 -4.371 10.003 123 1HA GLY 18 HA2 GLY 18 -1.953 -6.412 8.605 124 2HA GLY 18 HA3 GLY 18 -1.224 -5.518 7.264 125 H VAL 19 H VAL 19 0.528 -7.017 7.095 126 HA VAL 19 HA VAL 19 2.471 -7.178 9.312 127 HB VAL 19 HB VAL 19 2.753 -7.985 6.376 128 1HG1 VAL 19 HG11 VAL 19 4.717 -9.293 7.212 129 2HG1 VAL 19 HG12 VAL 19 4.951 -7.556 7.427 130 3HG1 VAL 19 HG13 VAL 19 4.503 -8.567 8.817 131 1HG2 VAL 19 HG21 VAL 19 2.554 -10.313 7.228 132 2HG2 VAL 19 HG22 VAL 19 2.167 -9.687 8.842 133 3HG2 VAL 19 HG23 VAL 19 1.064 -9.400 7.472 134 H VAL 20 H VAL 20 4.086 -5.669 9.534 135 HA VAL 20 HA VAL 20 4.498 -3.662 7.402 136 HB VAL 20 HB VAL 20 4.057 -3.040 10.355 137 1HG1 VAL 20 HG11 VAL 20 5.616 -1.454 9.324 138 2HG1 VAL 20 HG12 VAL 20 4.545 -1.255 7.926 139 3HG1 VAL 20 HG13 VAL 20 4.053 -0.655 9.518 140 1HG2 VAL 20 HG21 VAL 20 1.978 -1.764 9.395 141 2HG2 VAL 20 HG22 VAL 20 2.190 -2.743 7.949 142 3HG2 VAL 20 HG23 VAL 20 1.860 -3.513 9.508 143 H LEU 21 H LEU 21 6.675 -3.244 7.145 144 HA LEU 21 HA LEU 21 8.543 -4.550 9.089 145 1HB LEU 21 HB2 LEU 21 8.259 -5.686 6.901 146 2HB LEU 21 HB3 LEU 21 8.930 -4.260 6.093 147 HG LEU 21 HG LEU 21 10.319 -6.011 8.182 148 1HD1 LEU 21 HD11 LEU 21 10.715 -5.854 5.163 149 2HD1 LEU 21 HD12 LEU 21 11.651 -6.861 6.292 150 3HD1 LEU 21 HD13 LEU 21 9.932 -7.181 6.051 151 1HD2 LEU 21 HD21 LEU 21 11.398 -3.913 8.362 152 2HD2 LEU 21 HD22 LEU 21 12.416 -4.867 7.292 153 3HD2 LEU 21 HD23 LEU 21 11.350 -3.631 6.599 154 H ALA 22 H ALA 22 9.241 -2.964 10.324 155 HA ALA 22 HA ALA 22 9.479 -0.225 9.310 156 1HB ALA 22 HB1 ALA 22 9.915 -1.496 12.032 157 2HB ALA 22 HB2 ALA 22 10.093 0.239 11.687 158 3HB ALA 22 HB3 ALA 22 8.499 -0.544 11.519 159 H ASP 23 H ASP 23 11.466 0.850 9.213 160 HA ASP 23 HA ASP 23 13.973 -0.776 9.338 161 1HB ASP 23 HB2 ASP 23 13.426 -0.586 7.021 162 2HB ASP 23 HB3 ASP 23 13.001 1.120 7.187 163 H PHE 24 H PHE 24 14.667 -0.046 11.210 164 HA PHE 24 HA PHE 24 14.636 2.760 12.054 165 1HB PHE 24 HB2 PHE 24 15.754 0.183 13.242 166 2HB PHE 24 HB3 PHE 24 16.035 1.770 13.932 167 HD1 PHE 24 HD1 PHE 24 14.518 2.623 15.534 168 HD2 PHE 24 HD2 PHE 24 13.184 -0.470 12.836 169 HE1 PHE 24 HE1 PHE 24 12.292 2.649 16.596 170 HE2 PHE 24 HE2 PHE 24 10.958 -0.430 13.917 171 HZ PHE 24 HZ PHE 24 10.479 1.172 15.737 172 H TRP 25 H TRP 25 16.009 4.104 11.140 173 HA TRP 25 HA TRP 25 18.713 3.314 10.425 174 1HB TRP 25 HB2 TRP 25 18.380 3.054 8.245 175 2HB TRP 25 HB3 TRP 25 16.662 3.073 8.512 176 HD1 TRP 25 HD1 TRP 25 19.319 4.815 6.664 177 HE1 TRP 25 HE1 TRP 25 18.427 6.899 5.487 178 HE3 TRP 25 HE3 TRP 25 14.879 5.317 9.129 179 HZ2 TRP 25 HZ2 TRP 25 16.337 8.845 5.937 180 HZ3 TRP 25 HZ3 TRP 25 13.509 7.381 8.830 181 HH2 TRP 25 HH2 TRP 25 14.272 9.171 7.281 182 H ALA 26 H ALA 26 19.562 5.551 9.122 183 HA ALA 26 HA ALA 26 18.279 7.951 10.015 184 1HB ALA 26 HB1 ALA 26 21.147 7.422 10.967 185 2HB ALA 26 HB2 ALA 26 20.225 8.940 11.138 186 3HB ALA 26 HB3 ALA 26 19.718 7.503 12.026 187 HA PRO 27 HA PRO 27 20.067 8.552 6.010 188 1HB PRO 27 HB2 PRO 27 20.166 11.275 5.670 189 2HB PRO 27 HB3 PRO 27 18.678 10.289 5.616 190 1HG PRO 27 HG2 PRO 27 19.780 11.890 7.948 191 2HG PRO 27 HG3 PRO 27 18.087 11.815 7.360 192 1HD PRO 27 HD2 PRO 27 18.977 10.344 9.494 193 2HD PRO 27 HD3 PRO 27 17.731 9.722 8.370 194 H TRP 28 H TRP 28 21.791 9.651 8.810 195 HA TRP 28 HA TRP 28 24.225 10.310 7.433 196 1HB TRP 28 HB2 TRP 28 24.297 9.386 10.255 197 2HB TRP 28 HB3 TRP 28 25.098 10.752 9.491 198 HD1 TRP 28 HD1 TRP 28 22.337 9.835 11.653 199 HE1 TRP 28 HE1 TRP 28 20.597 11.680 12.017 200 HE3 TRP 28 HE3 TRP 28 23.902 13.071 8.036 201 HZ2 TRP 28 HZ2 TRP 28 19.983 14.283 10.865 202 HZ3 TRP 28 HZ3 TRP 28 22.707 15.214 7.659 203 HH2 TRP 28 HH2 TRP 28 20.752 15.828 9.066 204 H CYS 29 H CYS 29 22.602 7.362 8.022 205 HA CYS 29 HA CYS 29 24.687 5.557 8.623 206 1HB CYS 29 HB2 CYS 29 22.173 5.235 8.845 207 2HB CYS 29 HB3 CYS 29 22.103 5.087 7.116 208 H GLY 30 H GLY 30 25.652 3.953 7.205 209 1HA GLY 30 HA2 GLY 30 25.869 4.696 4.307 210 2HA GLY 30 HA3 GLY 30 27.130 3.901 5.249 211 HA PRO 31 HA PRO 31 25.563 -0.156 4.452 212 1HB PRO 31 HB2 PRO 31 24.524 -0.546 7.257 213 2HB PRO 31 HB3 PRO 31 25.562 -1.628 6.286 214 1HG PRO 31 HG2 PRO 31 26.639 -0.079 8.233 215 2HG PRO 31 HG3 PRO 31 27.470 -0.236 6.650 216 1HD PRO 31 HD2 PRO 31 25.701 2.027 7.621 217 2HD PRO 31 HD3 PRO 31 27.264 2.106 6.754 218 H CYS 32 H CYS 32 23.179 1.748 6.336 219 HA CYS 32 HA CYS 32 20.833 0.388 5.605 220 1HB CYS 32 HB2 CYS 32 21.066 3.399 5.841 221 2HB CYS 32 HB3 CYS 32 19.660 2.393 6.127 222 H LYS 33 H LYS 33 22.829 2.669 3.706 223 HA LYS 33 HA LYS 33 20.834 3.179 1.703 224 1HB LYS 33 HB2 LYS 33 23.843 3.408 1.363 225 2HB LYS 33 HB3 LYS 33 22.592 4.276 0.485 226 1HG LYS 33 HG2 LYS 33 23.331 4.653 3.422 227 2HG LYS 33 HG3 LYS 33 23.760 5.709 2.086 228 1HD LYS 33 HD2 LYS 33 21.427 6.364 1.767 229 2HD LYS 33 HD3 LYS 33 20.880 5.160 2.939 230 1HE LYS 33 HE2 LYS 33 20.897 7.403 3.958 231 2HE LYS 33 HE3 LYS 33 22.028 6.297 4.767 232 1HZ LYS 33 HZ1 LYS 33 22.862 8.579 4.305 233 2HZ LYS 33 HZ2 LYS 33 23.829 7.370 3.824 234 3HZ LYS 33 HZ3 LYS 33 22.935 8.216 2.706 235 H MET 34 H MET 34 23.037 0.494 2.299 236 HA MET 34 HA MET 34 23.075 -0.486 -0.402 237 1HB MET 34 HB2 MET 34 23.460 -2.049 2.178 238 2HB MET 34 HB3 MET 34 23.933 -2.548 0.554 239 1HG MET 34 HG2 MET 34 25.494 -0.565 0.480 240 2HG MET 34 HG3 MET 34 25.106 -0.260 2.172 241 1HE MET 34 HE1 MET 34 24.966 -3.733 2.920 242 2HE MET 34 HE2 MET 34 26.494 -3.666 3.818 243 3HE MET 34 HE3 MET 34 25.298 -2.363 3.998 244 H ILE 35 H ILE 35 21.050 -1.113 2.496 245 HA ILE 35 HA ILE 35 19.511 -3.101 1.049 246 HB ILE 35 HB ILE 35 20.172 -3.430 3.379 247 1HG1 ILE 35 HG12 ILE 35 17.164 -3.466 2.953 248 2HG1 ILE 35 HG13 ILE 35 18.312 -4.662 2.342 249 1HG2 ILE 35 HG21 ILE 35 19.929 -1.164 4.247 250 2HG2 ILE 35 HG22 ILE 35 18.156 -1.265 4.080 251 3HG2 ILE 35 HG23 ILE 35 19.031 -2.303 5.229 252 1HD1 ILE 35 HD11 ILE 35 17.609 -4.079 5.245 253 2HD1 ILE 35 HD12 ILE 35 17.312 -5.558 4.323 254 3HD1 ILE 35 HD13 ILE 35 18.967 -5.116 4.756 255 H ALA 36 H ALA 36 19.110 0.349 1.780 256 HA ALA 36 HA ALA 36 16.415 0.673 1.569 257 1HB ALA 36 HB1 ALA 36 17.937 2.506 1.996 258 2HB ALA 36 HB2 ALA 36 18.555 2.446 0.332 259 3HB ALA 36 HB3 ALA 36 16.871 2.915 0.639 260 HA PRO 37 HA PRO 37 16.158 0.569 -3.182 261 1HB PRO 37 HB2 PRO 37 18.071 -0.736 -4.683 262 2HB PRO 37 HB3 PRO 37 18.089 1.020 -4.336 263 1HG PRO 37 HG2 PRO 37 19.571 -1.183 -2.874 264 2HG PRO 37 HG3 PRO 37 20.214 0.385 -3.459 265 1HD PRO 37 HD2 PRO 37 19.475 0.054 -0.890 266 2HD PRO 37 HD3 PRO 37 19.111 1.581 -1.741 267 H VAL 38 H VAL 38 17.617 -2.128 -1.391 268 HA VAL 38 HA VAL 38 16.208 -4.174 -2.825 269 HB VAL 38 HB VAL 38 17.205 -4.399 0.043 270 1HG1 VAL 38 HG11 VAL 38 17.443 -6.772 -0.587 271 2HG1 VAL 38 HG12 VAL 38 15.775 -6.232 -0.837 272 3HG1 VAL 38 HG13 VAL 38 16.853 -6.399 -2.233 273 1HG2 VAL 38 HG21 VAL 38 19.322 -5.279 -0.870 274 2HG2 VAL 38 HG22 VAL 38 18.818 -4.819 -2.514 275 3HG2 VAL 38 HG23 VAL 38 19.120 -3.578 -1.278 276 H LEU 39 H LEU 39 15.530 -2.195 0.139 277 HA LEU 39 HA LEU 39 13.007 -3.392 0.685 278 1HB LEU 39 HB2 LEU 39 13.972 -0.563 1.253 279 2HB LEU 39 HB3 LEU 39 12.479 -1.250 1.866 280 HG LEU 39 HG LEU 39 15.264 -2.293 2.496 281 1HD1 LEU 39 HD11 LEU 39 13.301 -0.729 4.217 282 2HD1 LEU 39 HD12 LEU 39 14.877 -1.368 4.736 283 3HD1 LEU 39 HD13 LEU 39 14.802 -0.098 3.507 284 1HD2 LEU 39 HD21 LEU 39 12.555 -3.136 3.620 285 2HD2 LEU 39 HD22 LEU 39 13.642 -4.132 2.626 286 3HD2 LEU 39 HD23 LEU 39 14.136 -3.651 4.247 287 H GLU 40 H GLU 40 13.885 -0.666 -1.522 288 HA GLU 40 HA GLU 40 11.205 -0.158 -2.331 289 1HB GLU 40 HB2 GLU 40 13.819 0.194 -3.840 290 2HB GLU 40 HB3 GLU 40 12.248 0.707 -4.456 291 1HG GLU 40 HG2 GLU 40 11.926 2.162 -2.482 292 2HG GLU 40 HG3 GLU 40 13.505 1.690 -1.860 293 H GLU 41 H GLU 41 13.574 -2.528 -3.623 294 HA GLU 41 HA GLU 41 11.809 -3.541 -5.630 295 1HB GLU 41 HB2 GLU 41 14.193 -4.765 -4.201 296 2HB GLU 41 HB3 GLU 41 13.264 -5.624 -5.435 297 1HG GLU 41 HG2 GLU 41 13.741 -3.902 -7.093 298 2HG GLU 41 HG3 GLU 41 14.594 -2.927 -5.901 299 H LEU 42 H LEU 42 12.251 -4.364 -2.210 300 HA LEU 42 HA LEU 42 10.495 -6.589 -2.124 301 1HB LEU 42 HB2 LEU 42 12.177 -5.282 -0.321 302 2HB LEU 42 HB3 LEU 42 10.611 -4.843 0.304 303 HG LEU 42 HG LEU 42 11.489 -6.776 1.424 304 1HD1 LEU 42 HD11 LEU 42 9.268 -7.737 -0.404 305 2HD1 LEU 42 HD12 LEU 42 9.690 -8.378 1.196 306 3HD1 LEU 42 HD13 LEU 42 9.036 -6.737 1.043 307 1HD2 LEU 42 HD21 LEU 42 12.996 -7.593 -0.341 308 2HD2 LEU 42 HD22 LEU 42 11.977 -8.892 0.302 309 3HD2 LEU 42 HD23 LEU 42 11.613 -8.196 -1.276 310 H ASP 43 H ASP 43 9.915 -3.095 -1.581 311 HA ASP 43 HA ASP 43 7.172 -3.224 -0.983 312 1HB ASP 43 HB2 ASP 43 8.658 -1.176 -0.844 313 2HB ASP 43 HB3 ASP 43 8.562 -1.054 -2.612 314 H GLN 44 H GLN 44 8.854 -3.018 -4.113 315 HA GLN 44 HA GLN 44 6.448 -2.900 -5.662 316 1HB GLN 44 HB2 GLN 44 9.339 -3.489 -6.366 317 2HB GLN 44 HB3 GLN 44 8.057 -3.358 -7.578 318 1HG GLN 44 HG2 GLN 44 7.577 -1.073 -6.995 319 2HG GLN 44 HG3 GLN 44 8.589 -1.133 -5.553 320 1HE2 GLN 44 HE22 GLN 44 10.890 -1.248 -5.792 321 2HE2 GLN 44 HE21 GLN 44 11.691 -0.690 -7.262 322 H GLU 45 H GLU 45 7.832 -5.563 -4.023 323 HA GLU 45 HA GLU 45 6.611 -7.579 -5.824 324 1HB GLU 45 HB2 GLU 45 8.716 -7.649 -3.645 325 2HB GLU 45 HB3 GLU 45 7.985 -9.123 -4.281 326 1HG GLU 45 HG2 GLU 45 9.372 -7.061 -6.036 327 2HG GLU 45 HG3 GLU 45 10.200 -8.445 -5.325 328 H MET 46 H MET 46 6.409 -6.204 -2.570 329 HA MET 46 HA MET 46 4.201 -8.125 -1.947 330 1HB MET 46 HB2 MET 46 6.277 -6.986 -0.040 331 2HB MET 46 HB3 MET 46 5.003 -8.152 0.329 332 1HG MET 46 HG2 MET 46 6.114 -9.614 -1.541 333 2HG MET 46 HG3 MET 46 7.499 -8.556 -1.333 334 1HE MET 46 HE1 MET 46 6.064 -11.993 1.235 335 2HE MET 46 HE2 MET 46 4.903 -10.819 0.550 336 3HE MET 46 HE3 MET 46 5.997 -11.725 -0.526 337 H GLY 47 H GLY 47 4.628 -4.867 -2.559 338 1HA GLY 47 HA2 GLY 47 3.528 -3.485 -0.470 339 2HA GLY 47 HA3 GLY 47 3.349 -3.047 -2.170 340 H ASP 48 H ASP 48 1.719 -5.825 -2.212 341 HA ASP 48 HA ASP 48 -0.891 -4.579 -1.828 342 1HB ASP 48 HB2 ASP 48 -0.464 -6.109 -3.735 343 2HB ASP 48 HB3 ASP 48 -0.180 -7.430 -2.595 344 H LYS 49 H LYS 49 1.312 -6.650 -0.071 345 HA LYS 49 HA LYS 49 -0.745 -7.297 2.006 346 1HB LYS 49 HB2 LYS 49 1.855 -8.785 1.427 347 2HB LYS 49 HB3 LYS 49 0.559 -9.267 2.514 348 1HG LYS 49 HG2 LYS 49 0.503 -9.249 -0.523 349 2HG LYS 49 HG3 LYS 49 0.534 -10.648 0.550 350 1HD LYS 49 HD2 LYS 49 -1.739 -9.980 1.423 351 2HD LYS 49 HD3 LYS 49 -1.747 -8.658 0.238 352 1HE LYS 49 HE2 LYS 49 -1.193 -10.576 -1.490 353 2HE LYS 49 HE3 LYS 49 -1.840 -11.648 -0.239 354 1HZ LYS 49 HZ1 LYS 49 -3.893 -10.272 -0.332 355 2HZ LYS 49 HZ2 LYS 49 -3.217 -9.380 -1.550 356 3HZ LYS 49 HZ3 LYS 49 -3.561 -10.967 -1.775 357 H LEU 50 H LEU 50 2.311 -5.724 1.339 358 HA LEU 50 HA LEU 50 2.970 -5.574 4.225 359 1HB LEU 50 HB2 LEU 50 4.454 -6.956 2.791 360 2HB LEU 50 HB3 LEU 50 4.664 -5.580 1.702 361 HG LEU 50 HG LEU 50 5.808 -4.317 3.528 362 1HD1 LEU 50 HD11 LEU 50 6.595 -5.571 5.494 363 2HD1 LEU 50 HD12 LEU 50 4.843 -5.473 5.487 364 3HD1 LEU 50 HD13 LEU 50 5.637 -6.985 5.000 365 1HD2 LEU 50 HD21 LEU 50 7.088 -5.460 1.846 366 2HD2 LEU 50 HD22 LEU 50 7.897 -5.653 3.410 367 3HD2 LEU 50 HD23 LEU 50 6.957 -7.000 2.715 368 H LYS 51 H LYS 51 3.684 -3.672 5.043 369 HA LYS 51 HA LYS 51 3.837 -1.237 3.315 370 1HB LYS 51 HB2 LYS 51 1.874 -1.123 4.900 371 2HB LYS 51 HB3 LYS 51 2.978 -1.426 6.240 372 1HG LYS 51 HG2 LYS 51 4.234 0.713 5.504 373 2HG LYS 51 HG3 LYS 51 2.863 1.030 4.440 374 1HD LYS 51 HD2 LYS 51 2.721 0.653 7.468 375 2HD LYS 51 HD3 LYS 51 2.829 2.215 6.653 376 1HE LYS 51 HE2 LYS 51 0.689 1.777 5.480 377 2HE LYS 51 HE3 LYS 51 0.555 0.209 6.299 378 1HZ LYS 51 HZ1 LYS 51 -0.708 1.955 7.443 379 2HZ LYS 51 HZ2 LYS 51 0.508 1.385 8.402 380 3HZ LYS 51 HZ3 LYS 51 0.656 2.844 7.655 381 H ILE 52 H ILE 52 5.760 0.012 3.803 382 HA ILE 52 HA ILE 52 7.671 -1.318 5.668 383 HB ILE 52 HB ILE 52 8.245 -0.021 2.992 384 1HG1 ILE 52 HG12 ILE 52 8.606 -2.877 4.007 385 2HG1 ILE 52 HG13 ILE 52 7.421 -2.330 2.824 386 1HG2 ILE 52 HG21 ILE 52 10.633 -0.442 3.420 387 2HG2 ILE 52 HG22 ILE 52 9.985 0.627 4.649 388 3HG2 ILE 52 HG23 ILE 52 10.250 -1.091 5.029 389 1HD1 ILE 52 HD11 ILE 52 9.124 -3.392 1.591 390 2HD1 ILE 52 HD12 ILE 52 9.339 -1.652 1.317 391 3HD1 ILE 52 HD13 ILE 52 10.415 -2.525 2.434 392 H VAL 53 H VAL 53 8.649 0.126 7.139 393 HA VAL 53 HA VAL 53 7.659 2.961 7.005 394 HB VAL 53 HB VAL 53 7.405 1.014 9.332 395 1HG1 VAL 53 HG11 VAL 53 6.364 2.927 10.556 396 2HG1 VAL 53 HG12 VAL 53 8.070 3.229 10.224 397 3HG1 VAL 53 HG13 VAL 53 6.828 4.017 9.228 398 1HG2 VAL 53 HG21 VAL 53 5.009 1.537 9.162 399 2HG2 VAL 53 HG22 VAL 53 5.315 2.589 7.768 400 3HG2 VAL 53 HG23 VAL 53 5.602 0.845 7.648 401 H LYS 54 H LYS 54 9.564 4.013 6.589 402 HA LYS 54 HA LYS 54 12.040 3.176 7.968 403 1HB LYS 54 HB2 LYS 54 11.479 5.618 6.225 404 2HB LYS 54 HB3 LYS 54 13.061 5.124 6.855 405 1HG LYS 54 HG2 LYS 54 12.761 2.907 5.660 406 2HG LYS 54 HG3 LYS 54 11.343 3.584 4.860 407 1HD LYS 54 HD2 LYS 54 14.182 4.689 4.683 408 2HD LYS 54 HD3 LYS 54 13.401 3.654 3.479 409 1HE LYS 54 HE2 LYS 54 11.630 5.390 3.150 410 2HE LYS 54 HE3 LYS 54 12.474 6.443 4.294 411 1HZ LYS 54 HZ1 LYS 54 13.049 6.976 2.006 412 2HZ LYS 54 HZ2 LYS 54 14.380 6.446 2.784 413 3HZ LYS 54 HZ3 LYS 54 13.601 5.471 1.728 414 H ILE 55 H ILE 55 12.874 4.182 9.815 415 HA ILE 55 HA ILE 55 11.512 6.586 10.833 416 HB ILE 55 HB ILE 55 10.190 4.878 11.787 417 1HG1 ILE 55 HG12 ILE 55 12.078 5.776 13.993 418 2HG1 ILE 55 HG13 ILE 55 10.985 6.877 13.150 419 1HG2 ILE 55 HG21 ILE 55 11.694 2.909 11.625 420 2HG2 ILE 55 HG22 ILE 55 12.665 3.560 12.965 421 3HG2 ILE 55 HG23 ILE 55 10.986 3.071 13.229 422 1HD1 ILE 55 HD11 ILE 55 10.105 4.440 14.744 423 2HD1 ILE 55 HD12 ILE 55 9.978 6.130 15.245 424 3HD1 ILE 55 HD13 ILE 55 9.034 5.559 13.863 425 H ASP 56 H ASP 56 12.898 8.007 11.545 426 HA ASP 56 HA ASP 56 15.739 7.436 11.267 427 1HB ASP 56 HB2 ASP 56 14.807 9.421 10.251 428 2HB ASP 56 HB3 ASP 56 14.230 10.002 11.816 429 H VAL 57 H VAL 57 16.733 6.521 13.022 430 HA VAL 57 HA VAL 57 15.660 6.583 15.642 431 HB VAL 57 HB VAL 57 17.725 5.531 16.367 432 1HG1 VAL 57 HG11 VAL 57 17.568 3.523 15.032 433 2HG1 VAL 57 HG12 VAL 57 15.957 4.240 15.202 434 3HG1 VAL 57 HG13 VAL 57 16.842 4.411 13.675 435 1HG2 VAL 57 HG21 VAL 57 19.416 6.769 15.049 436 2HG2 VAL 57 HG22 VAL 57 19.575 5.021 14.847 437 3HG2 VAL 57 HG23 VAL 57 18.831 5.992 13.565 438 H ASP 58 H ASP 58 17.669 8.987 14.025 439 HA ASP 58 HA ASP 58 18.913 10.048 16.394 440 1HB ASP 58 HB2 ASP 58 19.718 10.476 14.087 441 2HB ASP 58 HB3 ASP 58 18.263 11.429 13.769 442 H GLU 59 H GLU 59 15.676 10.239 15.177 443 HA GLU 59 HA GLU 59 14.990 12.396 17.139 444 1HB GLU 59 HB2 GLU 59 13.677 11.645 14.497 445 2HB GLU 59 HB3 GLU 59 13.051 12.839 15.644 446 1HG GLU 59 HG2 GLU 59 15.236 14.106 15.403 447 2HG GLU 59 HG3 GLU 59 15.644 13.028 14.066 448 H ASN 60 H ASN 60 15.050 9.152 16.942 449 HA ASN 60 HA ASN 60 12.427 8.733 18.290 450 1HB ASN 60 HB2 ASN 60 13.386 7.238 15.815 451 2HB ASN 60 HB3 ASN 60 12.078 6.701 16.848 452 1HD2 ASN 60 HD22 ASN 60 12.950 8.923 14.339 453 2HD2 ASN 60 HD21 ASN 60 11.359 9.638 14.140 454 H GLN 61 H GLN 61 14.983 8.941 19.438 455 HA GLN 61 HA GLN 61 16.248 6.473 19.969 456 1HB GLN 61 HB2 GLN 61 15.879 8.963 21.683 457 2HB GLN 61 HB3 GLN 61 16.895 7.602 22.159 458 1HG GLN 61 HG2 GLN 61 17.287 9.197 19.592 459 2HG GLN 61 HG3 GLN 61 18.151 9.495 21.097 460 1HE2 GLN 61 HE22 GLN 61 18.011 7.542 18.236 461 2HE2 GLN 61 HE21 GLN 61 19.350 6.465 18.631 462 H GLU 62 H GLU 62 13.235 7.880 21.295 463 HA GLU 62 HA GLU 62 12.927 5.994 23.405 464 1HB GLU 62 HB2 GLU 62 10.876 7.652 21.868 465 2HB GLU 62 HB3 GLU 62 10.514 6.698 23.315 466 1HG GLU 62 HG2 GLU 62 12.202 8.014 24.597 467 2HG GLU 62 HG3 GLU 62 12.501 9.010 23.172 468 H THR 63 H THR 63 11.594 6.001 19.998 469 HA THR 63 HA THR 63 10.240 3.554 20.278 470 HB THR 63 HB THR 63 11.408 4.379 17.678 471 HG1 THR 63 HG1 THR 63 9.874 6.085 17.522 472 1HG2 THR 63 HG21 THR 63 9.707 2.552 17.819 473 2HG2 THR 63 HG22 THR 63 8.535 3.727 18.449 474 3HG2 THR 63 HG23 THR 63 9.180 3.891 16.800 475 H ALA 64 H ALA 64 13.555 4.323 19.142 476 HA ALA 64 HA ALA 64 14.363 1.681 18.502 477 1HB ALA 64 HB1 ALA 64 16.678 2.621 18.852 478 2HB ALA 64 HB2 ALA 64 15.658 3.695 17.877 479 3HB ALA 64 HB3 ALA 64 15.966 4.059 19.588 480 H GLY 65 H GLY 65 14.660 3.499 21.609 481 1HA GLY 65 HA2 GLY 65 15.794 1.430 23.156 482 2HA GLY 65 HA3 GLY 65 14.829 2.792 23.758 483 H LYS 66 H LYS 66 12.440 1.999 22.176 484 HA LYS 66 HA LYS 66 10.992 0.471 23.996 485 1HB LYS 66 HB2 LYS 66 10.366 1.985 21.884 486 2HB LYS 66 HB3 LYS 66 10.202 0.407 21.123 487 1HG LYS 66 HG2 LYS 66 8.660 -0.317 22.922 488 2HG LYS 66 HG3 LYS 66 8.904 1.205 23.792 489 1HD LYS 66 HD2 LYS 66 7.698 0.957 21.032 490 2HD LYS 66 HD3 LYS 66 6.782 1.081 22.548 491 1HE LYS 66 HE2 LYS 66 7.787 3.311 22.987 492 2HE LYS 66 HE3 LYS 66 8.706 3.200 21.486 493 1HZ LYS 66 HZ1 LYS 66 6.785 4.512 21.084 494 2HZ LYS 66 HZ2 LYS 66 6.537 3.093 20.310 495 3HZ LYS 66 HZ3 LYS 66 5.769 3.391 21.724 496 H TYR 67 H TYR 67 12.970 -0.634 21.254 497 HA TYR 67 HA TYR 67 12.432 -3.457 22.095 498 1HB TYR 67 HB2 TYR 67 13.373 -2.794 19.341 499 2HB TYR 67 HB3 TYR 67 12.413 -4.156 19.891 500 HD1 TYR 67 HD1 TYR 67 12.424 -0.913 18.355 501 HD2 TYR 67 HD2 TYR 67 9.927 -3.592 20.638 502 HE1 TYR 67 HE1 TYR 67 10.476 0.425 17.765 503 HE2 TYR 67 HE2 TYR 67 7.929 -2.274 19.999 504 HH TYR 67 HH TYR 67 7.133 -0.407 18.858 505 H GLY 68 H GLY 68 14.665 -1.274 22.721 506 1HA GLY 68 HA2 GLY 68 16.870 -1.333 23.260 507 2HA GLY 68 HA3 GLY 68 16.828 -3.092 23.064 508 H VAL 69 H VAL 69 16.005 -0.920 20.365 509 HA VAL 69 HA VAL 69 18.136 -1.941 18.670 510 HB VAL 69 HB VAL 69 16.324 0.485 18.330 511 1HG1 VAL 69 HG11 VAL 69 18.029 -1.027 16.322 512 2HG1 VAL 69 HG12 VAL 69 16.819 0.205 15.901 513 3HG1 VAL 69 HG13 VAL 69 18.239 0.653 16.846 514 1HG2 VAL 69 HG21 VAL 69 14.969 -0.960 16.822 515 2HG2 VAL 69 HG22 VAL 69 15.916 -2.366 17.367 516 3HG2 VAL 69 HG23 VAL 69 14.909 -1.452 18.507 517 H MET 70 H MET 70 20.194 -1.197 18.634 518 HA MET 70 HA MET 70 20.832 1.531 19.604 519 1HB MET 70 HB2 MET 70 21.030 -0.376 21.376 520 2HB MET 70 HB3 MET 70 22.449 -0.888 20.456 521 1HG MET 70 HG2 MET 70 23.454 1.363 20.813 522 2HG MET 70 HG3 MET 70 22.007 1.883 21.669 523 1HE MET 70 HE1 MET 70 22.213 0.002 25.070 524 2HE MET 70 HE2 MET 70 21.363 1.215 24.089 525 3HE MET 70 HE3 MET 70 21.270 -0.510 23.658 526 H SER 71 H SER 71 20.885 -0.444 17.052 527 HA SER 71 HA SER 71 23.253 0.719 15.833 528 1HB SER 71 HB2 SER 71 22.653 -2.279 15.751 529 2HB SER 71 HB3 SER 71 23.976 -1.450 14.917 530 HG SER 71 HG SER 71 24.656 -2.472 16.854 531 H ILE 72 H ILE 72 23.048 0.443 13.400 532 HA ILE 72 HA ILE 72 20.376 -0.224 12.436 533 HB ILE 72 HB ILE 72 20.219 1.884 11.153 534 1HG1 ILE 72 HG12 ILE 72 22.388 2.992 12.985 535 2HG1 ILE 72 HG13 ILE 72 22.638 2.555 11.292 536 1HG2 ILE 72 HG21 ILE 72 18.998 1.473 13.325 537 2HG2 ILE 72 HG22 ILE 72 20.240 2.440 14.143 538 3HG2 ILE 72 HG23 ILE 72 19.202 3.172 12.905 539 1HD1 ILE 72 HD11 ILE 72 20.742 4.717 12.291 540 2HD1 ILE 72 HD12 ILE 72 22.288 4.943 11.456 541 3HD1 ILE 72 HD13 ILE 72 20.925 4.195 10.601 542 HA PRO 73 HA PRO 73 19.482 0.206 10.023 543 1HB PRO 73 HB2 PRO 73 18.972 -1.748 8.181 544 2HB PRO 73 HB3 PRO 73 19.677 -0.164 7.758 545 1HG PRO 73 HG2 PRO 73 21.112 -2.792 8.208 546 2HG PRO 73 HG3 PRO 73 21.357 -1.615 6.882 547 1HD PRO 73 HD2 PRO 73 22.974 -1.694 9.087 548 2HD PRO 73 HD3 PRO 73 22.560 -0.152 8.286 549 H THR 74 H THR 74 17.846 -0.726 11.179 550 HA THR 74 HA THR 74 18.090 -3.596 11.940 551 HB THR 74 HB THR 74 17.536 -1.263 13.811 552 HG1 THR 74 HG1 THR 74 19.514 -1.619 14.321 553 1HG2 THR 74 HG21 THR 74 15.947 -2.937 14.460 554 2HG2 THR 74 HG22 THR 74 17.104 -4.256 14.210 555 3HG2 THR 74 HG23 THR 74 17.322 -3.125 15.558 556 H LEU 75 H LEU 75 16.157 -4.676 11.916 557 HA LEU 75 HA LEU 75 13.951 -3.217 10.562 558 1HB LEU 75 HB2 LEU 75 14.909 -6.062 10.133 559 2HB LEU 75 HB3 LEU 75 13.568 -5.287 9.306 560 HG LEU 75 HG LEU 75 16.515 -4.525 9.065 561 1HD1 LEU 75 HD11 LEU 75 16.334 -5.437 6.797 562 2HD1 LEU 75 HD12 LEU 75 15.930 -6.672 7.994 563 3HD1 LEU 75 HD13 LEU 75 14.634 -5.870 7.082 564 1HD2 LEU 75 HD21 LEU 75 14.100 -3.338 7.640 565 2HD2 LEU 75 HD22 LEU 75 15.226 -2.514 8.733 566 3HD2 LEU 75 HD23 LEU 75 15.792 -3.083 7.164 567 H LEU 76 H LEU 76 11.976 -3.483 11.525 568 HA LEU 76 HA LEU 76 11.674 -5.607 13.641 569 1HB LEU 76 HB2 LEU 76 10.784 -2.700 13.625 570 2HB LEU 76 HB3 LEU 76 9.884 -3.909 14.506 571 HG LEU 76 HG LEU 76 11.437 -2.531 15.899 572 1HD1 LEU 76 HD11 LEU 76 11.918 -5.546 15.874 573 2HD1 LEU 76 HD12 LEU 76 12.294 -4.447 17.219 574 3HD1 LEU 76 HD13 LEU 76 10.618 -4.670 16.706 575 1HD2 LEU 76 HD21 LEU 76 13.337 -2.480 14.240 576 2HD2 LEU 76 HD22 LEU 76 13.785 -2.876 15.912 577 3HD2 LEU 76 HD23 LEU 76 13.695 -4.156 14.695 578 H VAL 77 H VAL 77 10.072 -6.977 13.085 579 HA VAL 77 HA VAL 77 8.286 -6.212 10.811 580 HB VAL 77 HB VAL 77 8.643 -8.974 12.006 581 1HG1 VAL 77 HG11 VAL 77 6.546 -8.583 10.759 582 2HG1 VAL 77 HG12 VAL 77 7.473 -8.011 9.357 583 3HG1 VAL 77 HG13 VAL 77 7.596 -9.704 9.883 584 1HG2 VAL 77 HG21 VAL 77 9.999 -9.590 10.081 585 2HG2 VAL 77 HG22 VAL 77 10.037 -7.902 9.521 586 3HG2 VAL 77 HG23 VAL 77 10.833 -8.370 11.043 587 H LEU 78 H LEU 78 6.309 -5.592 11.467 588 HA LEU 78 HA LEU 78 5.346 -6.480 14.121 589 1HB LEU 78 HB2 LEU 78 4.795 -3.813 12.735 590 2HB LEU 78 HB3 LEU 78 4.007 -4.405 14.190 591 HG LEU 78 HG LEU 78 6.579 -4.625 15.015 592 1HD1 LEU 78 HD11 LEU 78 7.862 -2.629 14.343 593 2HD1 LEU 78 HD12 LEU 78 7.600 -3.729 12.985 594 3HD1 LEU 78 HD13 LEU 78 6.640 -2.255 13.115 595 1HD2 LEU 78 HD21 LEU 78 5.014 -2.029 15.147 596 2HD2 LEU 78 HD22 LEU 78 4.780 -3.433 16.206 597 3HD2 LEU 78 HD23 LEU 78 6.309 -2.548 16.239 598 H LYS 79 H LYS 79 3.118 -6.974 14.178 599 HA LYS 79 HA LYS 79 1.697 -7.033 11.567 600 1HB LYS 79 HB2 LYS 79 2.654 -9.306 11.976 601 2HB LYS 79 HB3 LYS 79 1.775 -9.367 13.517 602 1HG LYS 79 HG2 LYS 79 -0.378 -9.126 12.250 603 2HG LYS 79 HG3 LYS 79 0.550 -9.142 10.735 604 1HD LYS 79 HD2 LYS 79 1.419 -11.424 11.341 605 2HD LYS 79 HD3 LYS 79 0.482 -11.360 12.833 606 1HE LYS 79 HE2 LYS 79 -0.757 -12.702 11.323 607 2HE LYS 79 HE3 LYS 79 -1.628 -11.174 11.474 608 1HZ LYS 79 HZ1 LYS 79 -0.729 -10.523 9.326 609 2HZ LYS 79 HZ2 LYS 79 0.194 -11.887 9.239 610 3HZ LYS 79 HZ3 LYS 79 -1.433 -11.989 9.171 611 H ASP 80 H ASP 80 -0.049 -5.849 11.864 612 HA ASP 80 HA ASP 80 -1.788 -4.764 12.797 613 1HB ASP 80 HB2 ASP 80 -2.648 -7.056 12.553 614 2HB ASP 80 HB3 ASP 80 -2.181 -7.418 14.215 615 H GLY 81 H GLY 81 0.620 -4.139 14.054 616 1HA GLY 81 HA2 GLY 81 0.919 -2.452 15.580 617 2HA GLY 81 HA3 GLY 81 -0.491 -2.975 16.497 618 H GLU 82 H GLU 82 1.476 -5.760 16.114 619 HA GLU 82 HA GLU 82 3.060 -5.089 18.556 620 1HB GLU 82 HB2 GLU 82 2.645 -7.154 19.490 621 2HB GLU 82 HB3 GLU 82 1.074 -6.670 18.850 622 1HG GLU 82 HG2 GLU 82 1.494 -8.175 16.862 623 2HG GLU 82 HG3 GLU 82 2.992 -8.710 17.612 624 H VAL 83 H VAL 83 5.225 -5.872 18.592 625 HA VAL 83 HA VAL 83 6.484 -6.444 16.025 626 HB VAL 83 HB VAL 83 7.560 -6.730 18.860 627 1HG1 VAL 83 HG11 VAL 83 8.867 -8.067 17.239 628 2HG1 VAL 83 HG12 VAL 83 9.007 -6.664 16.160 629 3HG1 VAL 83 HG13 VAL 83 9.789 -6.663 17.758 630 1HG2 VAL 83 HG21 VAL 83 6.969 -4.366 18.347 631 2HG2 VAL 83 HG22 VAL 83 8.714 -4.607 18.447 632 3HG2 VAL 83 HG23 VAL 83 7.945 -4.453 16.863 633 H VAL 84 H VAL 84 6.643 -8.298 15.068 634 HA VAL 84 HA VAL 84 6.217 -10.800 16.619 635 HB VAL 84 HB VAL 84 5.271 -11.766 14.611 636 1HG1 VAL 84 HG11 VAL 84 3.827 -10.712 16.331 637 2HG1 VAL 84 HG12 VAL 84 3.754 -9.248 15.324 638 3HG1 VAL 84 HG13 VAL 84 3.113 -10.789 14.717 639 1HG2 VAL 84 HG21 VAL 84 4.604 -10.423 12.677 640 2HG2 VAL 84 HG22 VAL 84 5.304 -8.961 13.392 641 3HG2 VAL 84 HG23 VAL 84 6.354 -10.300 12.881 642 H GLU 85 H GLU 85 8.495 -9.002 14.560 643 HA GLU 85 HA GLU 85 10.411 -11.112 15.179 644 1HB GLU 85 HB2 GLU 85 9.202 -11.033 12.520 645 2HB GLU 85 HB3 GLU 85 10.908 -10.673 12.393 646 1HG GLU 85 HG2 GLU 85 9.783 -13.129 13.804 647 2HG GLU 85 HG3 GLU 85 10.281 -13.063 12.117 648 H THR 86 H THR 86 12.656 -10.493 14.396 649 HA THR 86 HA THR 86 13.076 -7.598 13.969 650 HB THR 86 HB THR 86 14.502 -9.203 16.127 651 HG1 THR 86 HG1 THR 86 12.349 -8.862 16.720 652 1HG2 THR 86 HG21 THR 86 14.457 -6.214 15.509 653 2HG2 THR 86 HG22 THR 86 15.184 -6.933 16.964 654 3HG2 THR 86 HG23 THR 86 15.849 -7.311 15.373 655 H SER 87 H SER 87 15.128 -7.206 12.894 656 HA SER 87 HA SER 87 17.083 -9.355 12.600 657 1HB SER 87 HB2 SER 87 15.622 -8.136 10.220 658 2HB SER 87 HB3 SER 87 17.180 -8.973 10.087 659 HG SER 87 HG SER 87 15.150 -10.262 11.494 660 H VAL 88 H VAL 88 19.180 -8.426 11.863 661 HA VAL 88 HA VAL 88 19.347 -5.461 12.027 662 HB VAL 88 HB VAL 88 21.117 -7.421 13.531 663 1HG1 VAL 88 HG11 VAL 88 21.035 -4.371 13.539 664 2HG1 VAL 88 HG12 VAL 88 22.006 -5.367 14.644 665 3HG1 VAL 88 HG13 VAL 88 22.348 -5.395 12.915 666 1HG2 VAL 88 HG21 VAL 88 20.139 -6.471 15.608 667 2HG2 VAL 88 HG22 VAL 88 18.973 -5.559 14.629 668 3HG2 VAL 88 HG23 VAL 88 18.936 -7.337 14.656 669 H GLY 89 H GLY 89 20.940 -4.596 10.688 670 1HA GLY 89 HA2 GLY 89 22.709 -4.534 9.208 671 2HA GLY 89 HA3 GLY 89 22.977 -6.265 9.422 672 H PHE 90 H PHE 90 23.305 -5.819 6.987 673 HA PHE 90 HA PHE 90 21.081 -5.416 5.251 674 1HB PHE 90 HB2 PHE 90 23.455 -5.121 4.610 675 2HB PHE 90 HB3 PHE 90 23.728 -6.850 4.788 676 HD1 PHE 90 HD1 PHE 90 22.871 -8.455 3.108 677 HD2 PHE 90 HD2 PHE 90 22.224 -4.209 2.691 678 HE1 PHE 90 HE1 PHE 90 22.156 -8.791 0.757 679 HE2 PHE 90 HE2 PHE 90 21.508 -4.555 0.337 680 HZ PHE 90 HZ PHE 90 21.464 -6.844 -0.629 681 H LYS 91 H LYS 91 19.825 -6.932 4.084 682 HA LYS 91 HA LYS 91 20.225 -9.795 4.447 683 1HB LYS 91 HB2 LYS 91 17.798 -8.363 5.486 684 2HB LYS 91 HB3 LYS 91 17.523 -9.811 4.509 685 1HG LYS 91 HG2 LYS 91 19.117 -11.090 5.927 686 2HG LYS 91 HG3 LYS 91 19.273 -9.675 6.996 687 1HD LYS 91 HD2 LYS 91 16.869 -9.792 7.508 688 2HD LYS 91 HD3 LYS 91 16.685 -11.144 6.360 689 1HE LYS 91 HE2 LYS 91 18.300 -12.491 7.696 690 2HE LYS 91 HE3 LYS 91 18.460 -11.165 8.851 691 1HZ LYS 91 HZ1 LYS 91 16.142 -11.444 9.440 692 2HZ LYS 91 HZ2 LYS 91 15.943 -12.641 8.320 693 3HZ LYS 91 HZ3 LYS 91 16.918 -12.865 9.607 694 HA PRO 92 HA PRO 92 19.420 -9.064 0.114 695 1HB PRO 92 HB2 PRO 92 19.060 -11.639 -0.809 696 2HB PRO 92 HB3 PRO 92 20.657 -10.943 -0.387 697 1HG PRO 92 HG2 PRO 92 18.874 -12.701 1.308 698 2HG PRO 92 HG3 PRO 92 20.639 -12.842 1.045 699 1HD PRO 92 HD2 PRO 92 19.609 -11.640 3.268 700 2HD PRO 92 HD3 PRO 92 21.097 -11.032 2.487 701 H LYS 93 H LYS 93 17.753 -9.411 -1.495 702 HA LYS 93 HA LYS 93 15.190 -8.732 -0.681 703 1HB LYS 93 HB2 LYS 93 16.311 -8.423 -2.899 704 2HB LYS 93 HB3 LYS 93 16.099 -10.136 -3.246 705 1HG LYS 93 HG2 LYS 93 13.726 -9.927 -3.354 706 2HG LYS 93 HG3 LYS 93 13.752 -8.329 -2.576 707 1HD LYS 93 HD2 LYS 93 13.357 -8.024 -4.906 708 2HD LYS 93 HD3 LYS 93 14.982 -7.419 -4.485 709 1HE LYS 93 HE2 LYS 93 16.025 -9.390 -5.466 710 2HE LYS 93 HE3 LYS 93 14.451 -10.153 -5.740 711 1HZ LYS 93 HZ1 LYS 93 15.279 -7.605 -7.019 712 2HZ LYS 93 HZ2 LYS 93 15.428 -9.080 -7.732 713 3HZ LYS 93 HZ3 LYS 93 13.950 -8.494 -7.371 714 H GLU 94 H GLU 94 16.341 -11.929 -1.683 715 HA GLU 94 HA GLU 94 13.882 -13.288 -1.330 716 1HB GLU 94 HB2 GLU 94 15.167 -15.357 -1.369 717 2HB GLU 94 HB3 GLU 94 15.671 -14.233 -2.629 718 1HG GLU 94 HG2 GLU 94 17.644 -13.584 -1.197 719 2HG GLU 94 HG3 GLU 94 17.169 -14.828 -0.041 720 H ALA 95 H ALA 95 16.525 -12.716 1.047 721 HA ALA 95 HA ALA 95 15.335 -14.312 3.103 722 1HB ALA 95 HB1 ALA 95 17.728 -13.718 3.148 723 2HB ALA 95 HB2 ALA 95 17.304 -11.995 3.350 724 3HB ALA 95 HB3 ALA 95 16.912 -13.165 4.620 725 H LEU 96 H LEU 96 15.138 -10.864 2.236 726 HA LEU 96 HA LEU 96 13.527 -10.011 4.407 727 1HB LEU 96 HB2 LEU 96 13.875 -9.081 1.556 728 2HB LEU 96 HB3 LEU 96 12.794 -8.244 2.672 729 HG LEU 96 HG LEU 96 15.753 -8.663 3.257 730 1HD1 LEU 96 HD11 LEU 96 16.046 -6.315 2.494 731 2HD1 LEU 96 HD12 LEU 96 15.564 -7.408 1.200 732 3HD1 LEU 96 HD13 LEU 96 14.362 -6.307 1.915 733 1HD2 LEU 96 HD21 LEU 96 14.379 -8.156 5.242 734 2HD2 LEU 96 HD22 LEU 96 15.406 -6.787 4.827 735 3HD2 LEU 96 HD23 LEU 96 13.680 -6.743 4.416 736 H GLN 97 H GLN 97 12.575 -11.252 1.159 737 HA GLN 97 HA GLN 97 9.781 -11.116 1.652 738 1HB GLN 97 HB2 GLN 97 11.552 -12.768 -0.167 739 2HB GLN 97 HB3 GLN 97 9.875 -13.272 0.022 740 1HG GLN 97 HG2 GLN 97 8.993 -11.316 -0.880 741 2HG GLN 97 HG3 GLN 97 10.495 -10.400 -0.648 742 1HE2 GLN 97 HE22 GLN 97 12.403 -11.124 -1.924 743 2HE2 GLN 97 HE21 GLN 97 12.125 -11.724 -3.557 744 H GLU 98 H GLU 98 12.141 -13.684 2.484 745 HA GLU 98 HA GLU 98 10.128 -15.474 3.450 746 1HB GLU 98 HB2 GLU 98 13.108 -15.281 4.015 747 2HB GLU 98 HB3 GLU 98 12.073 -16.497 4.773 748 1HG GLU 98 HG2 GLU 98 11.350 -17.291 2.532 749 2HG GLU 98 HG3 GLU 98 12.452 -16.151 1.770 750 H LEU 99 H LEU 99 12.009 -12.914 5.064 751 HA LEU 99 HA LEU 99 11.117 -13.328 7.702 752 1HB LEU 99 HB2 LEU 99 13.092 -12.046 7.045 753 2HB LEU 99 HB3 LEU 99 12.101 -10.905 6.148 754 HG LEU 99 HG LEU 99 11.038 -10.148 8.199 755 1HD1 LEU 99 HD11 LEU 99 12.182 -10.760 10.402 756 2HD1 LEU 99 HD12 LEU 99 11.248 -12.078 9.677 757 3HD1 LEU 99 HD13 LEU 99 13.019 -12.061 9.532 758 1HD2 LEU 99 HD21 LEU 99 12.978 -8.985 7.272 759 2HD2 LEU 99 HD22 LEU 99 13.003 -8.895 9.042 760 3HD2 LEU 99 HD23 LEU 99 14.078 -10.030 8.194 761 H VAL 100 H VAL 100 9.685 -11.416 4.985 762 HA VAL 100 HA VAL 100 7.425 -10.502 6.500 763 HB VAL 100 HB VAL 100 7.813 -10.964 3.513 764 1HG1 VAL 100 HG11 VAL 100 5.632 -9.412 4.964 765 2HG1 VAL 100 HG12 VAL 100 5.949 -9.317 3.219 766 3HG1 VAL 100 HG13 VAL 100 5.429 -10.842 3.932 767 1HG2 VAL 100 HG21 VAL 100 9.345 -9.223 4.661 768 2HG2 VAL 100 HG22 VAL 100 8.418 -8.730 3.260 769 3HG2 VAL 100 HG23 VAL 100 7.879 -8.271 4.905 770 H ASN 101 H ASN 101 8.030 -13.318 4.407 771 HA ASN 101 HA ASN 101 5.440 -14.244 4.090 772 1HB ASN 101 HB2 ASN 101 7.452 -14.996 2.806 773 2HB ASN 101 HB3 ASN 101 7.952 -15.959 4.200 774 1HD2 ASN 101 HD22 ASN 101 5.810 -15.746 1.456 775 2HD2 ASN 101 HD21 ASN 101 5.034 -17.293 1.670 776 H LYS 102 H LYS 102 7.742 -15.031 6.679 777 HA LYS 102 HA LYS 102 6.150 -17.112 7.827 778 1HB LYS 102 HB2 LYS 102 7.648 -16.952 9.758 779 2HB LYS 102 HB3 LYS 102 8.502 -17.058 8.218 780 1HG LYS 102 HG2 LYS 102 8.943 -14.633 8.273 781 2HG LYS 102 HG3 LYS 102 8.081 -14.498 9.795 782 1HD LYS 102 HD2 LYS 102 10.596 -16.156 9.363 783 2HD LYS 102 HD3 LYS 102 10.570 -14.507 10.005 784 1HE LYS 102 HE2 LYS 102 9.169 -15.246 11.911 785 2HE LYS 102 HE3 LYS 102 9.195 -16.903 11.293 786 1HZ LYS 102 HZ1 LYS 102 11.563 -15.371 12.245 787 2HZ LYS 102 HZ2 LYS 102 10.848 -16.637 12.991 788 3HZ LYS 102 HZ3 LYS 102 11.626 -16.876 11.582 789 H HIS 103 H HIS 103 5.421 -13.824 7.792 790 HA HIS 103 HA HIS 103 3.532 -14.204 10.077 791 1HB HIS 103 HB2 HIS 103 5.028 -11.680 9.283 792 2HB HIS 103 HB3 HIS 103 3.748 -11.755 10.496 793 HD1 HIS 103 HD1 HIS 103 4.347 -13.664 12.591 794 HD2 HIS 103 HD2 HIS 103 7.437 -12.157 10.163 795 HE1 HIS 103 HE1 HIS 103 6.526 -14.175 13.804 796 H LEU 104 H LEU 104 3.596 -14.000 6.758 797 HA LEU 104 HA LEU 104 1.413 -12.219 6.240 798 1HB LEU 104 HB2 LEU 104 2.437 -14.706 4.829 799 2HB LEU 104 HB3 LEU 104 1.041 -13.801 4.252 800 HG LEU 104 HG LEU 104 3.861 -12.689 4.518 801 1HD1 LEU 104 HD11 LEU 104 3.553 -14.364 2.694 802 2HD1 LEU 104 HD12 LEU 104 2.223 -13.388 2.044 803 3HD1 LEU 104 HD13 LEU 104 3.874 -12.738 2.071 804 1HD2 LEU 104 HD21 LEU 104 1.314 -11.404 3.448 805 2HD2 LEU 104 HD22 LEU 104 2.304 -10.847 4.816 806 3HD2 LEU 104 HD23 LEU 104 2.949 -10.762 3.181 Start of MODEL 16 1 1H MET 1 H1 MET 1 -0.263 -1.591 1.618 2 2H MET 1 H2 MET 1 1.161 -2.126 1.015 3 3H MET 1 H3 MET 1 1.154 -0.940 2.139 4 HA MET 1 HA MET 1 0.081 -0.827 -0.578 5 1HB MET 1 HB2 MET 1 -0.419 1.500 -0.343 6 2HB MET 1 HB3 MET 1 -1.308 0.538 0.820 7 1HG MET 1 HG2 MET 1 0.304 1.281 2.607 8 2HG MET 1 HG3 MET 1 1.081 2.326 1.405 9 1HE MET 1 HE1 MET 1 -0.636 5.008 3.578 10 2HE MET 1 HE2 MET 1 0.181 3.525 4.115 11 3HE MET 1 HE3 MET 1 0.863 4.484 2.780 12 H ALA 2 H ALA 2 2.650 0.928 1.415 13 HA ALA 2 HA ALA 2 4.541 0.678 -0.786 14 1HB ALA 2 HB1 ALA 2 3.040 2.541 -1.525 15 2HB ALA 2 HB2 ALA 2 3.350 3.378 0.015 16 3HB ALA 2 HB3 ALA 2 4.666 3.116 -1.149 17 H ILE 3 H ILE 3 6.438 2.400 -0.084 18 HA ILE 3 HA ILE 3 7.145 1.915 2.712 19 HB ILE 3 HB ILE 3 8.421 3.594 0.521 20 1HG1 ILE 3 HG12 ILE 3 9.827 1.146 1.528 21 2HG1 ILE 3 HG13 ILE 3 8.359 0.811 0.626 22 1HG2 ILE 3 HG21 ILE 3 9.516 2.847 3.270 23 2HG2 ILE 3 HG22 ILE 3 10.484 3.545 1.953 24 3HG2 ILE 3 HG23 ILE 3 9.167 4.481 2.662 25 1HD1 ILE 3 HD11 ILE 3 9.138 2.105 -1.271 26 2HD1 ILE 3 HD12 ILE 3 10.631 2.550 -0.396 27 3HD1 ILE 3 HD13 ILE 3 10.327 0.855 -0.826 28 H VAL 4 H VAL 4 7.097 3.448 4.326 29 HA VAL 4 HA VAL 4 5.773 6.066 3.905 30 HB VAL 4 HB VAL 4 5.029 3.917 5.943 31 1HG1 VAL 4 HG11 VAL 4 3.800 6.652 5.450 32 2HG1 VAL 4 HG12 VAL 4 3.014 5.363 6.380 33 3HG1 VAL 4 HG13 VAL 4 4.525 6.015 6.956 34 1HG2 VAL 4 HG21 VAL 4 4.160 3.203 3.789 35 2HG2 VAL 4 HG22 VAL 4 2.818 3.823 4.735 36 3HG2 VAL 4 HG23 VAL 4 3.521 4.830 3.454 37 H LYS 5 H LYS 5 6.015 7.340 6.004 38 HA LYS 5 HA LYS 5 8.646 6.852 7.335 39 1HB LYS 5 HB2 LYS 5 8.507 8.866 5.742 40 2HB LYS 5 HB3 LYS 5 7.248 9.504 6.786 41 1HG LYS 5 HG2 LYS 5 9.280 10.626 7.322 42 2HG LYS 5 HG3 LYS 5 8.846 9.616 8.684 43 1HD LYS 5 HD2 LYS 5 11.269 9.563 8.248 44 2HD LYS 5 HD3 LYS 5 10.553 7.971 8.073 45 1HE LYS 5 HE2 LYS 5 12.147 8.296 6.291 46 2HE LYS 5 HE3 LYS 5 10.522 8.225 5.608 47 1HZ LYS 5 HZ1 LYS 5 12.046 10.735 6.100 48 2HZ LYS 5 HZ2 LYS 5 11.853 10.028 4.646 49 3HZ LYS 5 HZ3 LYS 5 10.566 10.653 5.415 50 H ALA 6 H ALA 6 8.567 7.223 9.632 51 HA ALA 6 HA ALA 6 6.043 8.128 10.843 52 1HB ALA 6 HB1 ALA 6 7.249 5.407 11.501 53 2HB ALA 6 HB2 ALA 6 5.870 6.171 12.324 54 3HB ALA 6 HB3 ALA 6 5.716 5.676 10.632 55 H THR 7 H THR 7 6.289 8.254 13.237 56 HA THR 7 HA THR 7 9.033 8.467 14.275 57 HB THR 7 HB THR 7 8.311 10.553 15.504 58 HG1 THR 7 HG1 THR 7 6.229 10.509 13.581 59 1HG2 THR 7 HG21 THR 7 9.830 10.706 13.554 60 2HG2 THR 7 HG22 THR 7 8.435 10.904 12.475 61 3HG2 THR 7 HG23 THR 7 8.794 12.132 13.711 62 H ASP 8 H ASP 8 8.754 8.767 16.768 63 HA ASP 8 HA ASP 8 7.389 6.827 18.115 64 1HB ASP 8 HB2 ASP 8 8.942 8.182 19.296 65 2HB ASP 8 HB3 ASP 8 8.126 9.672 18.832 66 H GLN 9 H GLN 9 6.001 9.911 16.998 67 HA GLN 9 HA GLN 9 3.613 9.722 18.557 68 1HB GLN 9 HB2 GLN 9 4.404 11.395 16.155 69 2HB GLN 9 HB3 GLN 9 2.911 11.645 17.066 70 1HG GLN 9 HG2 GLN 9 5.697 11.788 18.319 71 2HG GLN 9 HG3 GLN 9 4.793 13.179 17.738 72 1HE2 GLN 9 HE22 GLN 9 5.160 10.891 20.420 73 2HE2 GLN 9 HE21 GLN 9 3.895 11.595 21.404 74 H SER 10 H SER 10 4.478 8.562 15.335 75 HA SER 10 HA SER 10 1.641 7.907 14.736 76 1HB SER 10 HB2 SER 10 2.499 8.110 12.366 77 2HB SER 10 HB3 SER 10 2.495 9.593 13.342 78 HG SER 10 HG SER 10 4.413 9.447 12.245 79 H PHE 11 H PHE 11 4.777 6.430 15.171 80 HA PHE 11 HA PHE 11 4.772 4.362 13.390 81 1HB PHE 11 HB2 PHE 11 6.585 5.023 14.970 82 2HB PHE 11 HB3 PHE 11 5.713 4.255 16.288 83 HD1 PHE 11 HD1 PHE 11 7.592 3.755 13.138 84 HD2 PHE 11 HD2 PHE 11 5.778 1.805 16.533 85 HE1 PHE 11 HE1 PHE 11 8.796 1.680 12.582 86 HE2 PHE 11 HE2 PHE 11 6.984 -0.285 15.961 87 HZ PHE 11 HZ PHE 11 8.491 -0.362 13.995 88 H SER 12 H SER 12 3.210 4.237 16.649 89 HA SER 12 HA SER 12 2.406 1.560 16.463 90 1HB SER 12 HB2 SER 12 0.996 3.769 18.007 91 2HB SER 12 HB3 SER 12 1.090 2.048 18.422 92 HG SER 12 HG SER 12 2.572 3.325 19.626 93 H ALA 13 H ALA 13 0.965 4.379 14.950 94 HA ALA 13 HA ALA 13 -1.563 2.987 14.436 95 1HB ALA 13 HB1 ALA 13 -0.626 5.786 13.669 96 2HB ALA 13 HB2 ALA 13 -2.258 5.128 13.435 97 3HB ALA 13 HB3 ALA 13 -1.639 5.383 15.078 98 H GLU 14 H GLU 14 1.460 3.916 12.829 99 HA GLU 14 HA GLU 14 0.538 3.166 10.214 100 1HB GLU 14 HB2 GLU 14 3.338 3.472 11.383 101 2HB GLU 14 HB3 GLU 14 3.043 3.011 9.710 102 1HG GLU 14 HG2 GLU 14 2.221 5.620 11.031 103 2HG GLU 14 HG3 GLU 14 3.491 5.387 9.833 104 H THR 15 H THR 15 1.939 1.364 12.947 105 HA THR 15 HA THR 15 2.479 -0.922 11.292 106 HB THR 15 HB THR 15 3.322 -1.841 13.495 107 HG1 THR 15 HG1 THR 15 3.129 0.834 14.351 108 1HG2 THR 15 HG21 THR 15 4.854 -0.873 11.889 109 2HG2 THR 15 HG22 THR 15 4.424 0.779 12.364 110 3HG2 THR 15 HG23 THR 15 5.289 -0.275 13.494 111 H SER 16 H SER 16 -0.455 0.018 12.386 112 HA SER 16 HA SER 16 -1.294 -2.688 13.152 113 1HB SER 16 HB2 SER 16 -3.246 -1.445 14.159 114 2HB SER 16 HB3 SER 16 -1.658 -1.075 14.850 115 HG SER 16 HG SER 16 -2.909 0.798 14.443 116 H GLU 17 H GLU 17 -0.812 -1.980 10.391 117 HA GLU 17 HA GLU 17 -3.541 -2.415 9.280 118 1HB GLU 17 HB2 GLU 17 -1.420 -0.542 8.175 119 2HB GLU 17 HB3 GLU 17 -2.939 -0.981 7.370 120 1HG GLU 17 HG2 GLU 17 -4.160 -0.112 9.436 121 2HG GLU 17 HG3 GLU 17 -2.620 0.586 9.952 122 H GLY 18 H GLY 18 -2.132 -4.581 9.920 123 1HA GLY 18 HA2 GLY 18 -2.109 -6.610 8.618 124 2HA GLY 18 HA3 GLY 18 -1.445 -5.719 7.245 125 H VAL 19 H VAL 19 0.365 -7.166 7.142 126 HA VAL 19 HA VAL 19 2.326 -7.198 9.335 127 HB VAL 19 HB VAL 19 2.661 -7.994 6.403 128 1HG1 VAL 19 HG11 VAL 19 4.838 -7.512 7.530 129 2HG1 VAL 19 HG12 VAL 19 4.388 -8.594 8.859 130 3HG1 VAL 19 HG13 VAL 19 4.653 -9.237 7.224 131 1HG2 VAL 19 HG21 VAL 19 2.504 -10.336 7.232 132 2HG2 VAL 19 HG22 VAL 19 2.086 -9.733 8.848 133 3HG2 VAL 19 HG23 VAL 19 0.991 -9.464 7.474 134 H VAL 20 H VAL 20 3.986 -5.715 9.495 135 HA VAL 20 HA VAL 20 4.357 -3.690 7.380 136 HB VAL 20 HB VAL 20 3.962 -3.095 10.349 137 1HG1 VAL 20 HG11 VAL 20 5.551 -1.520 9.334 138 2HG1 VAL 20 HG12 VAL 20 4.458 -1.258 7.962 139 3HG1 VAL 20 HG13 VAL 20 4.008 -0.698 9.579 140 1HG2 VAL 20 HG21 VAL 20 1.757 -3.518 9.474 141 2HG2 VAL 20 HG22 VAL 20 1.911 -1.768 9.444 142 3HG2 VAL 20 HG23 VAL 20 2.106 -2.679 7.954 143 H LEU 21 H LEU 21 6.543 -3.147 7.190 144 HA LEU 21 HA LEU 21 8.441 -4.570 9.014 145 1HB LEU 21 HB2 LEU 21 8.273 -5.765 6.905 146 2HB LEU 21 HB3 LEU 21 8.530 -4.264 5.997 147 HG LEU 21 HG LEU 21 10.818 -4.087 7.071 148 1HD1 LEU 21 HD11 LEU 21 10.550 -5.383 9.073 149 2HD1 LEU 21 HD12 LEU 21 10.202 -6.850 8.095 150 3HD1 LEU 21 HD13 LEU 21 11.802 -6.101 8.072 151 1HD2 LEU 21 HD21 LEU 21 10.502 -5.034 4.799 152 2HD2 LEU 21 HD22 LEU 21 11.847 -5.809 5.645 153 3HD2 LEU 21 HD23 LEU 21 10.286 -6.650 5.507 154 H ALA 22 H ALA 22 9.257 -3.009 10.228 155 HA ALA 22 HA ALA 22 9.486 -0.275 9.197 156 1HB ALA 22 HB1 ALA 22 10.140 0.229 11.543 157 2HB ALA 22 HB2 ALA 22 8.541 -0.553 11.433 158 3HB ALA 22 HB3 ALA 22 9.966 -1.496 11.931 159 H ASP 23 H ASP 23 11.474 0.802 9.227 160 HA ASP 23 HA ASP 23 13.985 -0.808 9.270 161 1HB ASP 23 HB2 ASP 23 13.445 -0.593 6.952 162 2HB ASP 23 HB3 ASP 23 12.985 1.101 7.143 163 H PHE 24 H PHE 24 14.668 -0.084 11.157 164 HA PHE 24 HA PHE 24 14.589 2.720 12.013 165 1HB PHE 24 HB2 PHE 24 15.692 0.139 13.212 166 2HB PHE 24 HB3 PHE 24 15.990 1.721 13.894 167 HD1 PHE 24 HD1 PHE 24 13.019 -0.326 12.696 168 HD2 PHE 24 HD2 PHE 24 14.581 2.417 15.642 169 HE1 PHE 24 HE1 PHE 24 10.829 -0.279 13.837 170 HE2 PHE 24 HE2 PHE 24 12.376 2.464 16.751 171 HZ PHE 24 HZ PHE 24 10.475 1.151 15.818 172 H TRP 25 H TRP 25 15.986 4.085 11.164 173 HA TRP 25 HA TRP 25 18.696 3.309 10.463 174 1HB TRP 25 HB2 TRP 25 18.408 3.133 8.265 175 2HB TRP 25 HB3 TRP 25 16.688 3.111 8.511 176 HD1 TRP 25 HD1 TRP 25 19.365 5.013 6.813 177 HE1 TRP 25 HE1 TRP 25 18.405 7.087 5.656 178 HE3 TRP 25 HE3 TRP 25 14.846 5.254 9.165 179 HZ2 TRP 25 HZ2 TRP 25 16.165 8.873 6.014 180 HZ3 TRP 25 HZ3 TRP 25 13.367 7.242 8.847 181 HH2 TRP 25 HH2 TRP 25 14.043 9.064 7.301 182 H ALA 26 H ALA 26 19.595 5.578 9.260 183 HA ALA 26 HA ALA 26 18.287 7.959 10.144 184 1HB ALA 26 HB1 ALA 26 19.506 7.512 12.243 185 2HB ALA 26 HB2 ALA 26 21.011 7.258 11.327 186 3HB ALA 26 HB3 ALA 26 20.250 8.870 11.392 187 HA PRO 27 HA PRO 27 20.303 8.790 6.304 188 1HB PRO 27 HB2 PRO 27 20.631 11.668 7.064 189 2HB PRO 27 HB3 PRO 27 19.899 10.931 5.596 190 1HG PRO 27 HG2 PRO 27 18.344 11.952 7.622 191 2HG PRO 27 HG3 PRO 27 17.880 10.462 6.744 192 1HD PRO 27 HD2 PRO 27 19.189 10.708 9.457 193 2HD PRO 27 HD3 PRO 27 17.880 9.615 8.912 194 H TRP 28 H TRP 28 22.099 9.612 9.227 195 HA TRP 28 HA TRP 28 24.561 10.199 7.842 196 1HB TRP 28 HB2 TRP 28 25.655 9.946 9.956 197 2HB TRP 28 HB3 TRP 28 24.186 10.874 10.177 198 HD1 TRP 28 HD1 TRP 28 22.418 9.946 11.835 199 HE1 TRP 28 HE1 TRP 28 22.351 8.055 13.542 200 HE3 TRP 28 HE3 TRP 28 26.571 7.354 10.322 201 HZ2 TRP 28 HZ2 TRP 28 23.821 5.618 14.092 202 HZ3 TRP 28 HZ3 TRP 28 27.187 5.230 11.432 203 HH2 TRP 28 HH2 TRP 28 25.818 4.345 13.310 204 H CYS 29 H CYS 29 22.783 7.291 8.389 205 HA CYS 29 HA CYS 29 24.757 5.383 8.849 206 1HB CYS 29 HB2 CYS 29 22.232 5.190 9.037 207 2HB CYS 29 HB3 CYS 29 22.169 5.104 7.304 208 H GLY 30 H GLY 30 25.966 4.033 7.516 209 1HA GLY 30 HA2 GLY 30 26.231 4.690 4.631 210 2HA GLY 30 HA3 GLY 30 27.322 3.702 5.606 211 HA PRO 31 HA PRO 31 25.484 0.034 4.360 212 1HB PRO 31 HB2 PRO 31 24.551 -1.458 6.524 213 2HB PRO 31 HB3 PRO 31 26.262 -1.246 6.054 214 1HG PRO 31 HG2 PRO 31 24.712 0.245 8.171 215 2HG PRO 31 HG3 PRO 31 26.385 -0.382 8.243 216 1HD PRO 31 HD2 PRO 31 25.798 2.228 7.742 217 2HD PRO 31 HD3 PRO 31 27.204 1.429 6.972 218 H CYS 32 H CYS 32 23.168 1.817 6.369 219 HA CYS 32 HA CYS 32 20.779 0.548 5.592 220 1HB CYS 32 HB2 CYS 32 21.115 3.537 5.935 221 2HB CYS 32 HB3 CYS 32 19.663 2.576 6.144 222 H LYS 33 H LYS 33 22.852 2.851 3.795 223 HA LYS 33 HA LYS 33 20.912 3.459 1.776 224 1HB LYS 33 HB2 LYS 33 23.934 3.575 1.488 225 2HB LYS 33 HB3 LYS 33 22.737 4.506 0.597 226 1HG LYS 33 HG2 LYS 33 23.396 4.794 3.562 227 2HG LYS 33 HG3 LYS 33 23.944 5.847 2.269 228 1HD LYS 33 HD2 LYS 33 21.691 6.670 1.875 229 2HD LYS 33 HD3 LYS 33 20.997 5.463 2.961 230 1HE LYS 33 HE2 LYS 33 21.112 7.692 4.049 231 2HE LYS 33 HE3 LYS 33 22.056 6.454 4.905 232 1HZ LYS 33 HZ1 LYS 33 24.028 7.359 4.141 233 2HZ LYS 33 HZ2 LYS 33 23.309 8.361 3.024 234 3HZ LYS 33 HZ3 LYS 33 23.152 8.632 4.637 235 H MET 34 H MET 34 23.098 0.725 2.291 236 HA MET 34 HA MET 34 23.069 -0.190 -0.433 237 1HB MET 34 HB2 MET 34 23.537 -1.833 2.076 238 2HB MET 34 HB3 MET 34 23.997 -2.252 0.427 239 1HG MET 34 HG2 MET 34 25.530 -0.250 0.418 240 2HG MET 34 HG3 MET 34 25.150 -0.008 2.121 241 1HE MET 34 HE1 MET 34 25.356 -2.201 3.856 242 2HE MET 34 HE2 MET 34 25.072 -3.532 2.718 243 3HE MET 34 HE3 MET 34 26.589 -3.462 3.632 244 H ILE 35 H ILE 35 21.169 -0.958 2.522 245 HA ILE 35 HA ILE 35 19.626 -2.930 1.086 246 HB ILE 35 HB ILE 35 20.233 -3.258 3.420 247 1HG1 ILE 35 HG12 ILE 35 17.232 -3.218 2.960 248 2HG1 ILE 35 HG13 ILE 35 18.348 -4.468 2.416 249 1HG2 ILE 35 HG21 ILE 35 20.048 -0.983 4.250 250 2HG2 ILE 35 HG22 ILE 35 18.274 -1.022 4.067 251 3HG2 ILE 35 HG23 ILE 35 19.096 -2.072 5.243 252 1HD1 ILE 35 HD11 ILE 35 17.217 -5.251 4.380 253 2HD1 ILE 35 HD12 ILE 35 18.888 -4.911 4.854 254 3HD1 ILE 35 HD13 ILE 35 17.586 -3.778 5.283 255 H ALA 36 H ALA 36 19.221 0.538 1.658 256 HA ALA 36 HA ALA 36 16.523 0.861 1.456 257 1HB ALA 36 HB1 ALA 36 18.042 2.709 1.781 258 2HB ALA 36 HB2 ALA 36 18.654 2.568 0.121 259 3HB ALA 36 HB3 ALA 36 16.971 3.049 0.411 260 HA PRO 37 HA PRO 37 16.196 0.504 -3.282 261 1HB PRO 37 HB2 PRO 37 18.130 -0.830 -4.739 262 2HB PRO 37 HB3 PRO 37 18.090 0.942 -4.493 263 1HG PRO 37 HG2 PRO 37 19.665 -1.122 -2.926 264 2HG PRO 37 HG3 PRO 37 20.249 0.428 -3.614 265 1HD PRO 37 HD2 PRO 37 19.559 0.255 -1.017 266 2HD PRO 37 HD3 PRO 37 19.107 1.693 -1.968 267 H VAL 38 H VAL 38 17.701 -2.057 -1.353 268 HA VAL 38 HA VAL 38 16.366 -4.216 -2.706 269 HB VAL 38 HB VAL 38 17.471 -4.245 0.128 270 1HG1 VAL 38 HG11 VAL 38 17.182 -6.433 -1.969 271 2HG1 VAL 38 HG12 VAL 38 17.813 -6.613 -0.309 272 3HG1 VAL 38 HG13 VAL 38 16.115 -6.205 -0.562 273 1HG2 VAL 38 HG21 VAL 38 18.963 -4.721 -2.495 274 2HG2 VAL 38 HG22 VAL 38 19.295 -3.435 -1.316 275 3HG2 VAL 38 HG23 VAL 38 19.576 -5.117 -0.876 276 H LEU 39 H LEU 39 15.649 -2.113 0.152 277 HA LEU 39 HA LEU 39 13.173 -3.371 0.789 278 1HB LEU 39 HB2 LEU 39 14.207 -0.554 1.257 279 2HB LEU 39 HB3 LEU 39 12.634 -1.088 1.831 280 HG LEU 39 HG LEU 39 15.158 -2.607 2.517 281 1HD1 LEU 39 HD11 LEU 39 15.237 -1.376 4.658 282 2HD1 LEU 39 HD12 LEU 39 15.497 -0.308 3.272 283 3HD1 LEU 39 HD13 LEU 39 13.922 -0.316 4.096 284 1HD2 LEU 39 HD21 LEU 39 12.467 -2.417 3.946 285 2HD2 LEU 39 HD22 LEU 39 12.993 -3.774 2.931 286 3HD2 LEU 39 HD23 LEU 39 13.849 -3.418 4.434 287 H GLU 40 H GLU 40 13.999 -0.728 -1.517 288 HA GLU 40 HA GLU 40 11.308 -0.304 -2.349 289 1HB GLU 40 HB2 GLU 40 13.916 0.058 -3.865 290 2HB GLU 40 HB3 GLU 40 12.335 0.501 -4.512 291 1HG GLU 40 HG2 GLU 40 11.956 2.027 -2.605 292 2HG GLU 40 HG3 GLU 40 13.539 1.621 -1.946 293 H GLU 41 H GLU 41 13.737 -2.650 -3.570 294 HA GLU 41 HA GLU 41 12.066 -3.805 -5.563 295 1HB GLU 41 HB2 GLU 41 14.409 -4.829 -3.932 296 2HB GLU 41 HB3 GLU 41 13.548 -5.893 -5.031 297 1HG GLU 41 HG2 GLU 41 14.696 -3.239 -5.968 298 2HG GLU 41 HG3 GLU 41 15.659 -4.713 -5.897 299 H LEU 42 H LEU 42 12.508 -4.591 -2.132 300 HA LEU 42 HA LEU 42 10.760 -6.810 -2.000 301 1HB LEU 42 HB2 LEU 42 12.537 -6.112 -0.386 302 2HB LEU 42 HB3 LEU 42 11.530 -4.780 0.148 303 HG LEU 42 HG LEU 42 11.688 -6.732 1.636 304 1HD1 LEU 42 HD11 LEU 42 9.444 -6.806 2.380 305 2HD1 LEU 42 HD12 LEU 42 9.826 -5.170 1.856 306 3HD1 LEU 42 HD13 LEU 42 8.825 -6.223 0.825 307 1HD2 LEU 42 HD21 LEU 42 10.432 -8.773 1.212 308 2HD2 LEU 42 HD22 LEU 42 9.930 -8.173 -0.381 309 3HD2 LEU 42 HD23 LEU 42 11.642 -8.529 -0.064 310 H ASP 43 H ASP 43 10.168 -3.294 -1.503 311 HA ASP 43 HA ASP 43 7.449 -3.435 -0.785 312 1HB ASP 43 HB2 ASP 43 8.887 -1.357 -0.727 313 2HB ASP 43 HB3 ASP 43 8.774 -1.285 -2.493 314 H GLN 44 H GLN 44 9.013 -3.271 -3.980 315 HA GLN 44 HA GLN 44 6.541 -3.155 -5.427 316 1HB GLN 44 HB2 GLN 44 9.403 -3.733 -6.248 317 2HB GLN 44 HB3 GLN 44 8.071 -3.626 -7.408 318 1HG GLN 44 HG2 GLN 44 7.595 -1.339 -6.827 319 2HG GLN 44 HG3 GLN 44 8.665 -1.375 -5.428 320 1HE2 GLN 44 HE22 GLN 44 10.964 -1.533 -5.774 321 2HE2 GLN 44 HE21 GLN 44 11.700 -0.978 -7.278 322 H GLU 45 H GLU 45 7.998 -5.788 -3.817 323 HA GLU 45 HA GLU 45 6.697 -7.828 -5.533 324 1HB GLU 45 HB2 GLU 45 8.836 -7.902 -3.379 325 2HB GLU 45 HB3 GLU 45 8.058 -9.365 -3.986 326 1HG GLU 45 HG2 GLU 45 9.521 -7.363 -5.752 327 2HG GLU 45 HG3 GLU 45 10.270 -8.798 -5.057 328 H MET 46 H MET 46 6.681 -6.446 -2.246 329 HA MET 46 HA MET 46 4.491 -8.344 -1.523 330 1HB MET 46 HB2 MET 46 6.476 -6.956 0.304 331 2HB MET 46 HB3 MET 46 5.322 -8.214 0.738 332 1HG MET 46 HG2 MET 46 7.756 -8.486 -1.076 333 2HG MET 46 HG3 MET 46 7.578 -9.167 0.529 334 1HE MET 46 HE1 MET 46 5.393 -12.268 0.046 335 2HE MET 46 HE2 MET 46 6.660 -11.490 1.014 336 3HE MET 46 HE3 MET 46 5.054 -10.706 0.835 337 H GLY 47 H GLY 47 4.906 -5.028 -2.173 338 1HA GLY 47 HA2 GLY 47 3.707 -3.718 -0.076 339 2HA GLY 47 HA3 GLY 47 3.633 -3.204 -1.765 340 H ASP 48 H ASP 48 2.031 -5.914 -2.149 341 HA ASP 48 HA ASP 48 -0.619 -4.781 -1.941 342 1HB ASP 48 HB2 ASP 48 -0.036 -6.344 -3.736 343 2HB ASP 48 HB3 ASP 48 0.337 -7.601 -2.552 344 H LYS 49 H LYS 49 1.420 -6.877 0.028 345 HA LYS 49 HA LYS 49 -0.768 -7.289 2.029 346 1HB LYS 49 HB2 LYS 49 1.803 -8.886 1.553 347 2HB LYS 49 HB3 LYS 49 0.594 -9.213 2.791 348 1HG LYS 49 HG2 LYS 49 0.213 -9.455 -0.215 349 2HG LYS 49 HG3 LYS 49 0.358 -10.770 0.958 350 1HD LYS 49 HD2 LYS 49 -1.745 -9.865 2.088 351 2HD LYS 49 HD3 LYS 49 -1.944 -8.784 0.705 352 1HE LYS 49 HE2 LYS 49 -1.937 -11.832 0.665 353 2HE LYS 49 HE3 LYS 49 -3.333 -10.768 0.476 354 1HZ LYS 49 HZ1 LYS 49 -1.105 -11.095 -1.433 355 2HZ LYS 49 HZ2 LYS 49 -2.678 -11.451 -1.670 356 3HZ LYS 49 HZ3 LYS 49 -2.199 -9.882 -1.561 357 H LEU 50 H LEU 50 2.353 -5.843 1.430 358 HA LEU 50 HA LEU 50 2.865 -5.528 4.323 359 1HB LEU 50 HB2 LEU 50 4.418 -6.826 2.785 360 2HB LEU 50 HB3 LEU 50 4.692 -5.326 1.898 361 HG LEU 50 HG LEU 50 5.679 -4.319 3.986 362 1HD1 LEU 50 HD11 LEU 50 5.418 -7.171 5.037 363 2HD1 LEU 50 HD12 LEU 50 6.339 -5.864 5.806 364 3HD1 LEU 50 HD13 LEU 50 4.593 -5.742 5.686 365 1HD2 LEU 50 HD21 LEU 50 6.922 -6.850 2.905 366 2HD2 LEU 50 HD22 LEU 50 7.090 -5.201 2.267 367 3HD2 LEU 50 HD23 LEU 50 7.775 -5.602 3.850 368 H LYS 51 H LYS 51 3.810 -3.564 5.068 369 HA LYS 51 HA LYS 51 3.804 -1.180 3.301 370 1HB LYS 51 HB2 LYS 51 1.820 -1.020 4.851 371 2HB LYS 51 HB3 LYS 51 2.889 -1.332 6.219 372 1HG LYS 51 HG2 LYS 51 4.185 0.796 5.498 373 2HG LYS 51 HG3 LYS 51 2.822 1.131 4.431 374 1HD LYS 51 HD2 LYS 51 2.691 0.748 7.461 375 2HD LYS 51 HD3 LYS 51 2.748 2.306 6.637 376 1HE LYS 51 HE2 LYS 51 0.600 1.797 5.494 377 2HE LYS 51 HE3 LYS 51 0.524 0.235 6.330 378 1HZ LYS 51 HZ1 LYS 51 0.452 1.409 8.418 379 2HZ LYS 51 HZ2 LYS 51 0.586 2.874 7.677 380 3HZ LYS 51 HZ3 LYS 51 -0.772 1.966 7.464 381 H ILE 52 H ILE 52 5.780 0.001 3.683 382 HA ILE 52 HA ILE 52 7.635 -1.300 5.624 383 HB ILE 52 HB ILE 52 8.299 0.103 3.030 384 1HG1 ILE 52 HG12 ILE 52 8.576 -2.807 3.902 385 2HG1 ILE 52 HG13 ILE 52 7.457 -2.169 2.693 386 1HG2 ILE 52 HG21 ILE 52 9.993 0.635 4.777 387 2HG2 ILE 52 HG22 ILE 52 10.219 -1.106 5.071 388 3HG2 ILE 52 HG23 ILE 52 10.665 -0.377 3.515 389 1HD1 ILE 52 HD11 ILE 52 10.445 -2.504 2.458 390 2HD1 ILE 52 HD12 ILE 52 9.150 -3.079 1.390 391 3HD1 ILE 52 HD13 ILE 52 9.567 -1.360 1.421 392 H VAL 53 H VAL 53 8.606 0.121 7.135 393 HA VAL 53 HA VAL 53 7.621 2.957 7.043 394 HB VAL 53 HB VAL 53 7.378 0.984 9.348 395 1HG1 VAL 53 HG11 VAL 53 6.800 3.985 9.272 396 2HG1 VAL 53 HG12 VAL 53 6.336 2.882 10.592 397 3HG1 VAL 53 HG13 VAL 53 8.042 3.186 10.261 398 1HG2 VAL 53 HG21 VAL 53 4.977 1.507 9.190 399 2HG2 VAL 53 HG22 VAL 53 5.281 2.568 7.801 400 3HG2 VAL 53 HG23 VAL 53 5.567 0.823 7.672 401 H LYS 54 H LYS 54 9.533 4.005 6.624 402 HA LYS 54 HA LYS 54 12.000 3.159 8.009 403 1HB LYS 54 HB2 LYS 54 11.482 5.642 6.316 404 2HB LYS 54 HB3 LYS 54 13.053 5.081 6.914 405 1HG LYS 54 HG2 LYS 54 12.657 2.903 5.664 406 2HG LYS 54 HG3 LYS 54 11.271 3.666 4.888 407 1HD LYS 54 HD2 LYS 54 14.155 4.648 4.740 408 2HD LYS 54 HD3 LYS 54 13.325 3.691 3.504 409 1HE LYS 54 HE2 LYS 54 11.639 5.518 3.237 410 2HE LYS 54 HE3 LYS 54 12.527 6.490 4.420 411 1HZ LYS 54 HZ1 LYS 54 14.433 6.464 2.913 412 2HZ LYS 54 HZ2 LYS 54 13.616 5.563 1.820 413 3HZ LYS 54 HZ3 LYS 54 13.130 7.079 2.154 414 H ILE 55 H ILE 55 12.828 4.147 9.878 415 HA ILE 55 HA ILE 55 11.487 6.568 10.880 416 HB ILE 55 HB ILE 55 10.158 4.899 11.891 417 1HG1 ILE 55 HG12 ILE 55 12.111 5.845 14.025 418 2HG1 ILE 55 HG13 ILE 55 10.959 6.905 13.212 419 1HG2 ILE 55 HG21 ILE 55 10.956 3.101 13.337 420 2HG2 ILE 55 HG22 ILE 55 11.647 2.914 11.728 421 3HG2 ILE 55 HG23 ILE 55 12.638 3.570 13.050 422 1HD1 ILE 55 HD11 ILE 55 10.045 6.206 15.350 423 2HD1 ILE 55 HD12 ILE 55 9.075 5.517 14.039 424 3HD1 ILE 55 HD13 ILE 55 10.234 4.499 14.930 425 H ASP 56 H ASP 56 12.866 7.978 11.618 426 HA ASP 56 HA ASP 56 15.709 7.443 11.320 427 1HB ASP 56 HB2 ASP 56 14.770 9.436 10.348 428 2HB ASP 56 HB3 ASP 56 14.140 9.962 11.911 429 H VAL 57 H VAL 57 16.650 6.422 13.076 430 HA VAL 57 HA VAL 57 15.570 6.504 15.690 431 HB VAL 57 HB VAL 57 17.567 5.348 16.418 432 1HG1 VAL 57 HG11 VAL 57 16.745 4.319 13.672 433 2HG1 VAL 57 HG12 VAL 57 17.352 3.381 15.054 434 3HG1 VAL 57 HG13 VAL 57 15.767 4.178 15.142 435 1HG2 VAL 57 HG21 VAL 57 18.762 5.827 13.656 436 2HG2 VAL 57 HG22 VAL 57 19.345 6.539 15.173 437 3HG2 VAL 57 HG23 VAL 57 19.431 4.792 14.928 438 H ASP 58 H ASP 58 17.731 8.811 14.119 439 HA ASP 58 HA ASP 58 18.977 9.780 16.533 440 1HB ASP 58 HB2 ASP 58 19.895 10.131 14.253 441 2HB ASP 58 HB3 ASP 58 18.530 11.192 13.881 442 H GLU 59 H GLU 59 15.827 10.199 15.166 443 HA GLU 59 HA GLU 59 15.188 12.460 17.020 444 1HB GLU 59 HB2 GLU 59 14.063 11.582 14.332 445 2HB GLU 59 HB3 GLU 59 13.212 12.717 15.371 446 1HG GLU 59 HG2 GLU 59 16.046 13.200 14.364 447 2HG GLU 59 HG3 GLU 59 14.597 13.749 13.536 448 H ASN 60 H ASN 60 15.074 9.165 16.972 449 HA ASN 60 HA ASN 60 12.443 8.980 18.347 450 1HB ASN 60 HB2 ASN 60 13.234 7.319 15.918 451 2HB ASN 60 HB3 ASN 60 11.865 6.987 16.972 452 1HD2 ASN 60 HD22 ASN 60 12.993 8.991 14.357 453 2HD2 ASN 60 HD21 ASN 60 11.502 9.891 14.140 454 H GLN 61 H GLN 61 14.924 9.042 19.533 455 HA GLN 61 HA GLN 61 16.210 6.578 19.962 456 1HB GLN 61 HB2 GLN 61 15.809 8.993 21.774 457 2HB GLN 61 HB3 GLN 61 16.852 7.639 22.197 458 1HG GLN 61 HG2 GLN 61 17.218 9.298 19.665 459 2HG GLN 61 HG3 GLN 61 18.033 9.629 21.189 460 1HE2 GLN 61 HE22 GLN 61 18.009 7.612 18.344 461 2HE2 GLN 61 HE21 GLN 61 19.414 6.640 18.764 462 H GLU 62 H GLU 62 13.191 7.859 21.397 463 HA GLU 62 HA GLU 62 12.973 5.913 23.458 464 1HB GLU 62 HB2 GLU 62 10.821 7.475 21.959 465 2HB GLU 62 HB3 GLU 62 10.539 6.538 23.427 466 1HG GLU 62 HG2 GLU 62 12.375 8.964 23.187 467 2HG GLU 62 HG3 GLU 62 10.762 8.953 23.883 468 H THR 63 H THR 63 11.657 5.930 20.061 469 HA THR 63 HA THR 63 10.364 3.415 20.349 470 HB THR 63 HB THR 63 11.347 4.394 17.720 471 HG1 THR 63 HG1 THR 63 9.370 5.741 19.246 472 1HG2 THR 63 HG21 THR 63 8.591 3.468 18.607 473 2HG2 THR 63 HG22 THR 63 9.074 3.884 16.944 474 3HG2 THR 63 HG23 THR 63 9.805 2.495 17.752 475 H ALA 64 H ALA 64 13.608 4.388 19.127 476 HA ALA 64 HA ALA 64 14.519 1.788 18.406 477 1HB ALA 64 HB1 ALA 64 16.801 2.789 18.780 478 2HB ALA 64 HB2 ALA 64 15.748 3.859 17.836 479 3HB ALA 64 HB3 ALA 64 16.047 4.183 19.556 480 H GLY 65 H GLY 65 14.692 3.506 21.567 481 1HA GLY 65 HA2 GLY 65 15.888 1.458 23.082 482 2HA GLY 65 HA3 GLY 65 14.816 2.733 23.693 483 H LYS 66 H LYS 66 12.511 1.831 22.010 484 HA LYS 66 HA LYS 66 11.210 0.160 23.811 485 1HB LYS 66 HB2 LYS 66 10.254 1.683 21.926 486 2HB LYS 66 HB3 LYS 66 10.573 0.346 20.843 487 1HG LYS 66 HG2 LYS 66 8.260 0.336 21.446 488 2HG LYS 66 HG3 LYS 66 9.030 -1.111 22.094 489 1HD LYS 66 HD2 LYS 66 9.086 -0.100 24.351 490 2HD LYS 66 HD3 LYS 66 8.429 1.419 23.699 491 1HE LYS 66 HE2 LYS 66 6.378 0.207 22.984 492 2HE LYS 66 HE3 LYS 66 7.040 -1.300 23.629 493 1HZ LYS 66 HZ1 LYS 66 5.514 -0.266 25.183 494 2HZ LYS 66 HZ2 LYS 66 7.005 -0.292 25.838 495 3HZ LYS 66 HZ3 LYS 66 6.394 1.103 25.241 496 H TYR 67 H TYR 67 13.252 -0.738 21.051 497 HA TYR 67 HA TYR 67 12.838 -3.614 21.772 498 1HB TYR 67 HB2 TYR 67 13.778 -2.778 19.058 499 2HB TYR 67 HB3 TYR 67 12.936 -4.237 19.544 500 HD1 TYR 67 HD1 TYR 67 12.658 -0.779 18.415 501 HD2 TYR 67 HD2 TYR 67 10.414 -4.114 19.988 502 HE1 TYR 67 HE1 TYR 67 10.589 0.394 17.892 503 HE2 TYR 67 HE2 TYR 67 8.298 -2.964 19.404 504 HH TYR 67 HH TYR 67 7.329 -1.004 18.603 505 H GLY 68 H GLY 68 14.947 -1.339 22.516 506 1HA GLY 68 HA2 GLY 68 17.170 -1.240 22.986 507 2HA GLY 68 HA3 GLY 68 17.206 -3.009 22.870 508 H VAL 69 H VAL 69 16.350 -0.751 20.205 509 HA VAL 69 HA VAL 69 18.316 -1.889 18.402 510 HB VAL 69 HB VAL 69 16.675 0.672 18.196 511 1HG1 VAL 69 HG11 VAL 69 18.557 0.731 16.641 512 2HG1 VAL 69 HG12 VAL 69 18.171 -0.902 16.065 513 3HG1 VAL 69 HG13 VAL 69 17.062 0.451 15.751 514 1HG2 VAL 69 HG21 VAL 69 16.054 -2.124 17.175 515 2HG2 VAL 69 HG22 VAL 69 15.146 -1.176 18.375 516 3HG2 VAL 69 HG23 VAL 69 15.179 -0.648 16.699 517 H MET 70 H MET 70 20.445 -1.443 18.530 518 HA MET 70 HA MET 70 21.393 1.212 19.512 519 1HB MET 70 HB2 MET 70 22.427 -1.564 20.213 520 2HB MET 70 HB3 MET 70 23.287 -0.071 20.593 521 1HG MET 70 HG2 MET 70 20.518 -0.768 21.622 522 2HG MET 70 HG3 MET 70 22.020 -0.979 22.511 523 1HE MET 70 HE1 MET 70 20.114 1.951 24.349 524 2HE MET 70 HE2 MET 70 19.354 0.601 23.477 525 3HE MET 70 HE3 MET 70 20.778 0.309 24.504 526 H SER 71 H SER 71 21.158 -0.629 16.836 527 HA SER 71 HA SER 71 23.510 0.477 15.554 528 1HB SER 71 HB2 SER 71 22.803 -2.497 15.403 529 2HB SER 71 HB3 SER 71 24.098 -1.683 14.513 530 HG SER 71 HG SER 71 24.862 -2.798 16.366 531 H ILE 72 H ILE 72 23.151 0.311 13.129 532 HA ILE 72 HA ILE 72 20.442 -0.322 12.268 533 HB ILE 72 HB ILE 72 20.234 1.852 11.070 534 1HG1 ILE 72 HG12 ILE 72 22.389 2.896 12.962 535 2HG1 ILE 72 HG13 ILE 72 22.643 2.567 11.247 536 1HG2 ILE 72 HG21 ILE 72 19.038 1.289 13.225 537 2HG2 ILE 72 HG22 ILE 72 20.263 2.238 14.086 538 3HG2 ILE 72 HG23 ILE 72 19.200 3.013 12.898 539 1HD1 ILE 72 HD11 ILE 72 20.712 4.632 12.387 540 2HD1 ILE 72 HD12 ILE 72 22.238 4.939 11.546 541 3HD1 ILE 72 HD13 ILE 72 20.881 4.210 10.670 542 HA PRO 73 HA PRO 73 19.464 0.208 9.874 543 1HB PRO 73 HB2 PRO 73 18.895 -1.687 7.993 544 2HB PRO 73 HB3 PRO 73 19.625 -0.109 7.591 545 1HG PRO 73 HG2 PRO 73 21.019 -2.774 7.972 546 2HG PRO 73 HG3 PRO 73 21.257 -1.585 6.656 547 1HD PRO 73 HD2 PRO 73 22.917 -1.711 8.824 548 2HD PRO 73 HD3 PRO 73 22.503 -0.156 8.048 549 H THR 74 H THR 74 17.841 -0.744 11.032 550 HA THR 74 HA THR 74 18.108 -3.626 11.753 551 HB THR 74 HB THR 74 17.649 -1.290 13.644 552 HG1 THR 74 HG1 THR 74 19.637 -1.692 14.135 553 1HG2 THR 74 HG21 THR 74 17.259 -4.282 14.094 554 2HG2 THR 74 HG22 THR 74 17.509 -3.119 15.412 555 3HG2 THR 74 HG23 THR 74 16.097 -2.974 14.361 556 H LEU 75 H LEU 75 16.228 -4.726 11.621 557 HA LEU 75 HA LEU 75 13.949 -3.234 10.439 558 1HB LEU 75 HB2 LEU 75 15.357 -5.781 9.713 559 2HB LEU 75 HB3 LEU 75 13.603 -5.792 9.611 560 HG LEU 75 HG LEU 75 13.568 -3.939 8.054 561 1HD1 LEU 75 HD11 LEU 75 16.609 -3.881 8.299 562 2HD1 LEU 75 HD12 LEU 75 15.666 -3.030 7.055 563 3HD1 LEU 75 HD13 LEU 75 15.476 -2.586 8.748 564 1HD2 LEU 75 HD21 LEU 75 13.903 -6.256 7.199 565 2HD2 LEU 75 HD22 LEU 75 14.626 -5.037 6.140 566 3HD2 LEU 75 HD23 LEU 75 15.657 -6.001 7.220 567 H LEU 76 H LEU 76 11.989 -3.514 11.389 568 HA LEU 76 HA LEU 76 11.726 -5.519 13.622 569 1HB LEU 76 HB2 LEU 76 10.913 -2.583 13.540 570 2HB LEU 76 HB3 LEU 76 10.068 -3.739 14.540 571 HG LEU 76 HG LEU 76 11.693 -2.341 15.777 572 1HD1 LEU 76 HD11 LEU 76 12.757 -4.231 17.029 573 2HD1 LEU 76 HD12 LEU 76 11.023 -4.422 16.752 574 3HD1 LEU 76 HD13 LEU 76 12.183 -5.349 15.781 575 1HD2 LEU 76 HD21 LEU 76 14.023 -2.552 15.594 576 2HD2 LEU 76 HD22 LEU 76 13.918 -3.953 14.516 577 3HD2 LEU 76 HD23 LEU 76 13.458 -2.349 13.924 578 H VAL 77 H VAL 77 9.969 -6.800 13.220 579 HA VAL 77 HA VAL 77 8.265 -5.975 10.919 580 HB VAL 77 HB VAL 77 8.476 -8.811 11.828 581 1HG1 VAL 77 HG11 VAL 77 6.894 -8.133 10.051 582 2HG1 VAL 77 HG12 VAL 77 8.218 -7.416 9.110 583 3HG1 VAL 77 HG13 VAL 77 8.152 -9.174 9.361 584 1HG2 VAL 77 HG21 VAL 77 10.850 -8.395 11.690 585 2HG2 VAL 77 HG22 VAL 77 10.367 -9.210 10.205 586 3HG2 VAL 77 HG23 VAL 77 10.670 -7.459 10.202 587 H LEU 78 H LEU 78 6.169 -5.687 11.400 588 HA LEU 78 HA LEU 78 5.217 -6.490 14.090 589 1HB LEU 78 HB2 LEU 78 4.727 -3.810 12.709 590 2HB LEU 78 HB3 LEU 78 4.016 -4.358 14.219 591 HG LEU 78 HG LEU 78 6.685 -4.668 14.810 592 1HD1 LEU 78 HD11 LEU 78 6.593 -2.181 13.076 593 2HD1 LEU 78 HD12 LEU 78 7.950 -2.753 14.069 594 3HD1 LEU 78 HD13 LEU 78 7.423 -3.684 12.663 595 1HD2 LEU 78 HD21 LEU 78 5.010 -3.523 16.210 596 2HD2 LEU 78 HD22 LEU 78 6.543 -2.653 16.128 597 3HD2 LEU 78 HD23 LEU 78 5.144 -2.081 15.184 598 H LYS 79 H LYS 79 2.964 -6.890 14.163 599 HA LYS 79 HA LYS 79 1.556 -6.904 11.559 600 1HB LYS 79 HB2 LYS 79 2.517 -9.186 11.865 601 2HB LYS 79 HB3 LYS 79 1.631 -9.325 13.401 602 1HG LYS 79 HG2 LYS 79 -0.501 -9.085 12.242 603 2HG LYS 79 HG3 LYS 79 0.339 -8.798 10.700 604 1HD LYS 79 HD2 LYS 79 1.282 -11.090 10.809 605 2HD LYS 79 HD3 LYS 79 0.403 -11.379 12.326 606 1HE LYS 79 HE2 LYS 79 -1.749 -11.023 11.179 607 2HE LYS 79 HE3 LYS 79 -0.911 -10.591 9.682 608 1HZ LYS 79 HZ1 LYS 79 -0.821 -13.260 10.960 609 2HZ LYS 79 HZ2 LYS 79 -1.665 -12.869 9.618 610 3HZ LYS 79 HZ3 LYS 79 -0.029 -12.830 9.582 611 H ASP 80 H ASP 80 -0.263 -5.863 11.835 612 HA ASP 80 HA ASP 80 -2.073 -4.884 12.749 613 1HB ASP 80 HB2 ASP 80 -2.761 -7.242 12.553 614 2HB ASP 80 HB3 ASP 80 -2.283 -7.526 14.226 615 H GLY 81 H GLY 81 0.379 -4.198 14.063 616 1HA GLY 81 HA2 GLY 81 0.598 -2.454 15.560 617 2HA GLY 81 HA3 GLY 81 -0.827 -2.981 16.453 618 H GLU 82 H GLU 82 1.242 -5.722 16.061 619 HA GLU 82 HA GLU 82 2.742 -5.047 18.549 620 1HB GLU 82 HB2 GLU 82 2.379 -7.126 19.451 621 2HB GLU 82 HB3 GLU 82 0.807 -6.721 18.761 622 1HG GLU 82 HG2 GLU 82 1.369 -8.191 16.783 623 2HG GLU 82 HG3 GLU 82 2.873 -8.642 17.573 624 H VAL 83 H VAL 83 4.931 -5.727 18.593 625 HA VAL 83 HA VAL 83 6.190 -6.276 16.010 626 HB VAL 83 HB VAL 83 7.265 -4.856 17.682 627 1HG1 VAL 83 HG11 VAL 83 8.333 -5.732 19.677 628 2HG1 VAL 83 HG12 VAL 83 6.586 -5.978 19.783 629 3HG1 VAL 83 HG13 VAL 83 7.656 -7.344 19.388 630 1HG2 VAL 83 HG21 VAL 83 8.620 -5.934 15.993 631 2HG2 VAL 83 HG22 VAL 83 9.507 -5.867 17.527 632 3HG2 VAL 83 HG23 VAL 83 8.790 -7.395 16.995 633 H VAL 84 H VAL 84 6.511 -8.103 15.109 634 HA VAL 84 HA VAL 84 6.038 -10.597 16.656 635 HB VAL 84 HB VAL 84 5.278 -11.576 14.552 636 1HG1 VAL 84 HG11 VAL 84 3.656 -9.101 15.216 637 2HG1 VAL 84 HG12 VAL 84 3.089 -10.626 14.511 638 3HG1 VAL 84 HG13 VAL 84 3.676 -10.597 16.178 639 1HG2 VAL 84 HG21 VAL 84 6.431 -10.040 12.926 640 2HG2 VAL 84 HG22 VAL 84 4.697 -10.216 12.604 641 3HG2 VAL 84 HG23 VAL 84 5.298 -8.754 13.387 642 H GLU 85 H GLU 85 8.447 -8.815 14.688 643 HA GLU 85 HA GLU 85 10.337 -10.907 15.460 644 1HB GLU 85 HB2 GLU 85 9.313 -11.891 13.444 645 2HB GLU 85 HB3 GLU 85 9.705 -10.459 12.514 646 1HG GLU 85 HG2 GLU 85 11.135 -12.310 11.977 647 2HG GLU 85 HG3 GLU 85 12.086 -11.002 12.650 648 H THR 86 H THR 86 12.612 -10.341 14.718 649 HA THR 86 HA THR 86 13.049 -7.482 14.073 650 HB THR 86 HB THR 86 14.541 -8.979 16.266 651 HG1 THR 86 HG1 THR 86 12.406 -8.587 16.904 652 1HG2 THR 86 HG21 THR 86 15.261 -6.664 16.942 653 2HG2 THR 86 HG22 THR 86 15.883 -7.165 15.368 654 3HG2 THR 86 HG23 THR 86 14.513 -6.040 15.454 655 H SER 87 H SER 87 15.065 -7.175 12.917 656 HA SER 87 HA SER 87 16.945 -9.386 12.574 657 1HB SER 87 HB2 SER 87 15.401 -8.155 10.242 658 2HB SER 87 HB3 SER 87 16.874 -9.129 10.060 659 HG SER 87 HG SER 87 14.943 -10.258 11.664 660 H VAL 88 H VAL 88 19.009 -8.519 11.613 661 HA VAL 88 HA VAL 88 19.250 -5.556 11.769 662 HB VAL 88 HB VAL 88 21.097 -7.552 13.120 663 1HG1 VAL 88 HG11 VAL 88 22.308 -5.532 12.456 664 2HG1 VAL 88 HG12 VAL 88 21.047 -4.503 13.172 665 3HG1 VAL 88 HG13 VAL 88 22.076 -5.519 14.202 666 1HG2 VAL 88 HG21 VAL 88 19.059 -5.687 14.399 667 2HG2 VAL 88 HG22 VAL 88 19.007 -7.463 14.413 668 3HG2 VAL 88 HG23 VAL 88 20.287 -6.618 15.276 669 H GLY 89 H GLY 89 20.820 -4.696 10.379 670 1HA GLY 89 HA2 GLY 89 22.632 -4.665 8.964 671 2HA GLY 89 HA3 GLY 89 22.787 -6.418 9.086 672 H PHE 90 H PHE 90 23.257 -5.610 6.689 673 HA PHE 90 HA PHE 90 21.047 -5.220 4.905 674 1HB PHE 90 HB2 PHE 90 23.373 -4.656 4.318 675 2HB PHE 90 HB3 PHE 90 23.849 -6.343 4.471 676 HD1 PHE 90 HD1 PHE 90 22.260 -3.839 2.318 677 HD2 PHE 90 HD2 PHE 90 23.095 -8.045 2.786 678 HE1 PHE 90 HE1 PHE 90 21.722 -4.219 -0.077 679 HE2 PHE 90 HE2 PHE 90 22.519 -8.423 0.404 680 HZ PHE 90 HZ PHE 90 21.836 -6.509 -1.032 681 H LYS 91 H LYS 91 19.738 -6.663 3.893 682 HA LYS 91 HA LYS 91 20.214 -9.573 4.065 683 1HB LYS 91 HB2 LYS 91 17.939 -8.014 5.252 684 2HB LYS 91 HB3 LYS 91 17.452 -9.329 4.203 685 1HG LYS 91 HG2 LYS 91 17.469 -9.972 6.538 686 2HG LYS 91 HG3 LYS 91 18.528 -10.979 5.543 687 1HD LYS 91 HD2 LYS 91 20.493 -9.969 6.441 688 2HD LYS 91 HD3 LYS 91 19.559 -8.685 7.257 689 1HE LYS 91 HE2 LYS 91 18.536 -10.384 8.725 690 2HE LYS 91 HE3 LYS 91 19.380 -11.673 7.858 691 1HZ LYS 91 HZ1 LYS 91 20.716 -9.521 9.410 692 2HZ LYS 91 HZ2 LYS 91 20.533 -11.076 9.896 693 3HZ LYS 91 HZ3 LYS 91 21.479 -10.737 8.616 694 HA PRO 92 HA PRO 92 19.157 -8.657 -0.232 695 1HB PRO 92 HB2 PRO 92 18.924 -11.192 -1.256 696 2HB PRO 92 HB3 PRO 92 20.495 -10.456 -0.819 697 1HG PRO 92 HG2 PRO 92 18.800 -12.346 0.838 698 2HG PRO 92 HG3 PRO 92 20.558 -12.444 0.501 699 1HD PRO 92 HD2 PRO 92 19.585 -11.355 2.808 700 2HD PRO 92 HD3 PRO 92 21.040 -10.693 2.005 701 H LYS 93 H LYS 93 17.298 -8.885 -1.685 702 HA LYS 93 HA LYS 93 14.842 -8.611 -0.359 703 1HB LYS 93 HB2 LYS 93 13.823 -8.603 -2.612 704 2HB LYS 93 HB3 LYS 93 15.202 -7.531 -2.440 705 1HG LYS 93 HG2 LYS 93 16.594 -9.458 -3.545 706 2HG LYS 93 HG3 LYS 93 15.017 -10.141 -3.983 707 1HD LYS 93 HD2 LYS 93 14.452 -7.971 -5.109 708 2HD LYS 93 HD3 LYS 93 16.066 -7.355 -4.669 709 1HE LYS 93 HE2 LYS 93 17.026 -9.358 -5.954 710 2HE LYS 93 HE3 LYS 93 15.382 -9.685 -6.520 711 1HZ LYS 93 HZ1 LYS 93 15.412 -7.362 -7.457 712 2HZ LYS 93 HZ2 LYS 93 17.001 -7.274 -7.078 713 3HZ LYS 93 HZ3 LYS 93 16.490 -8.386 -8.151 714 H GLU 94 H GLU 94 16.228 -11.543 -1.730 715 HA GLU 94 HA GLU 94 13.863 -13.129 -1.577 716 1HB GLU 94 HB2 GLU 94 15.904 -13.748 -2.831 717 2HB GLU 94 HB3 GLU 94 16.785 -13.963 -1.310 718 1HG GLU 94 HG2 GLU 94 15.243 -15.787 -0.662 719 2HG GLU 94 HG3 GLU 94 14.282 -15.515 -2.118 720 H ALA 95 H ALA 95 16.529 -12.551 0.812 721 HA ALA 95 HA ALA 95 15.409 -14.211 2.844 722 1HB ALA 95 HB1 ALA 95 16.975 -13.054 4.348 723 2HB ALA 95 HB2 ALA 95 17.787 -13.519 2.842 724 3HB ALA 95 HB3 ALA 95 17.290 -11.825 3.110 725 H LEU 96 H LEU 96 15.067 -10.749 2.042 726 HA LEU 96 HA LEU 96 13.438 -10.090 4.282 727 1HB LEU 96 HB2 LEU 96 13.485 -8.879 1.507 728 2HB LEU 96 HB3 LEU 96 12.628 -8.213 2.901 729 HG LEU 96 HG LEU 96 15.651 -8.490 2.688 730 1HD1 LEU 96 HD11 LEU 96 15.658 -6.061 2.530 731 2HD1 LEU 96 HD12 LEU 96 14.646 -6.725 1.241 732 3HD1 LEU 96 HD13 LEU 96 13.886 -6.008 2.676 733 1HD2 LEU 96 HD21 LEU 96 15.001 -8.720 5.024 734 2HD2 LEU 96 HD22 LEU 96 15.656 -7.104 4.771 735 3HD2 LEU 96 HD23 LEU 96 13.898 -7.332 4.892 736 H GLN 97 H GLN 97 12.529 -11.298 1.016 737 HA GLN 97 HA GLN 97 9.725 -11.213 1.490 738 1HB GLN 97 HB2 GLN 97 11.550 -12.817 -0.328 739 2HB GLN 97 HB3 GLN 97 9.886 -13.369 -0.135 740 1HG GLN 97 HG2 GLN 97 8.961 -11.400 -0.978 741 2HG GLN 97 HG3 GLN 97 10.471 -10.491 -0.806 742 1HE2 GLN 97 HE22 GLN 97 12.267 -10.968 -2.190 743 2HE2 GLN 97 HE21 GLN 97 11.988 -11.615 -3.806 744 H GLU 98 H GLU 98 12.180 -13.668 2.328 745 HA GLU 98 HA GLU 98 10.253 -15.535 3.333 746 1HB GLU 98 HB2 GLU 98 13.219 -15.215 3.937 747 2HB GLU 98 HB3 GLU 98 12.215 -16.488 4.637 748 1HG GLU 98 HG2 GLU 98 11.599 -17.255 2.348 749 2HG GLU 98 HG3 GLU 98 12.698 -16.063 1.659 750 H LEU 99 H LEU 99 12.042 -12.858 4.896 751 HA LEU 99 HA LEU 99 11.181 -13.284 7.535 752 1HB LEU 99 HB2 LEU 99 13.058 -11.844 6.839 753 2HB LEU 99 HB3 LEU 99 11.948 -10.775 5.988 754 HG LEU 99 HG LEU 99 10.842 -10.203 8.097 755 1HD1 LEU 99 HD11 LEU 99 11.323 -12.142 9.488 756 2HD1 LEU 99 HD12 LEU 99 13.076 -11.905 9.298 757 3HD1 LEU 99 HD13 LEU 99 12.118 -10.748 10.236 758 1HD2 LEU 99 HD21 LEU 99 12.667 -8.743 8.920 759 2HD2 LEU 99 HD22 LEU 99 13.847 -9.719 8.014 760 3HD2 LEU 99 HD23 LEU 99 12.605 -8.784 7.150 761 H VAL 100 H VAL 100 9.700 -11.334 4.867 762 HA VAL 100 HA VAL 100 7.411 -10.465 6.315 763 HB VAL 100 HB VAL 100 7.870 -11.039 3.357 764 1HG1 VAL 100 HG11 VAL 100 5.571 -9.537 4.665 765 2HG1 VAL 100 HG12 VAL 100 5.963 -9.477 2.930 766 3HG1 VAL 100 HG13 VAL 100 5.474 -11.003 3.671 767 1HG2 VAL 100 HG21 VAL 100 9.292 -9.202 4.485 768 2HG2 VAL 100 HG22 VAL 100 8.374 -8.785 3.046 769 3HG2 VAL 100 HG23 VAL 100 7.787 -8.308 4.673 770 H ASN 101 H ASN 101 8.055 -13.358 4.352 771 HA ASN 101 HA ASN 101 5.459 -14.413 4.309 772 1HB ASN 101 HB2 ASN 101 7.386 -14.981 2.818 773 2HB ASN 101 HB3 ASN 101 8.063 -15.969 4.123 774 1HD2 ASN 101 HD22 ASN 101 5.857 -15.825 1.493 775 2HD2 ASN 101 HD21 ASN 101 5.123 -17.394 1.707 776 H LYS 102 H LYS 102 7.899 -14.640 6.865 777 HA LYS 102 HA LYS 102 6.828 -16.781 8.377 778 1HB LYS 102 HB2 LYS 102 8.036 -14.172 9.395 779 2HB LYS 102 HB3 LYS 102 7.715 -15.596 10.375 780 1HG LYS 102 HG2 LYS 102 9.308 -16.886 8.845 781 2HG LYS 102 HG3 LYS 102 9.726 -15.326 8.125 782 1HD LYS 102 HD2 LYS 102 11.399 -15.816 9.734 783 2HD LYS 102 HD3 LYS 102 10.421 -14.492 10.389 784 1HE LYS 102 HE2 LYS 102 9.214 -16.063 11.850 785 2HE LYS 102 HE3 LYS 102 10.019 -17.439 11.086 786 1HZ LYS 102 HZ1 LYS 102 11.057 -16.921 13.168 787 2HZ LYS 102 HZ2 LYS 102 12.125 -16.596 11.985 788 3HZ LYS 102 HZ3 LYS 102 11.351 -15.371 12.761 789 H HIS 103 H HIS 103 5.448 -13.587 7.808 790 HA HIS 103 HA HIS 103 3.498 -14.023 10.030 791 1HB HIS 103 HB2 HIS 103 4.565 -11.407 8.924 792 2HB HIS 103 HB3 HIS 103 3.526 -11.619 10.334 793 HD1 HIS 103 HD1 HIS 103 4.850 -13.386 12.296 794 HD2 HIS 103 HD2 HIS 103 7.098 -11.257 9.445 795 HE1 HIS 103 HE1 HIS 103 7.252 -13.362 13.142 796 H LEU 104 H LEU 104 3.653 -13.863 6.625 797 HA LEU 104 HA LEU 104 1.177 -12.557 6.054 798 1HB LEU 104 HB2 LEU 104 2.576 -14.856 4.627 799 2HB LEU 104 HB3 LEU 104 1.153 -14.027 4.016 800 HG LEU 104 HG LEU 104 3.877 -12.749 4.475 801 1HD1 LEU 104 HD11 LEU 104 3.762 -14.323 2.557 802 2HD1 LEU 104 HD12 LEU 104 2.390 -13.407 1.900 803 3HD1 LEU 104 HD13 LEU 104 3.989 -12.647 2.038 804 1HD2 LEU 104 HD21 LEU 104 2.184 -11.036 4.821 805 2HD2 LEU 104 HD22 LEU 104 2.906 -10.797 3.233 806 3HD2 LEU 104 HD23 LEU 104 1.302 -11.554 3.366 Start of MODEL 17 1 1H MET 1 H1 MET 1 -0.547 -0.147 -1.143 2 2H MET 1 H2 MET 1 -0.045 -1.651 -0.739 3 3H MET 1 H3 MET 1 -1.321 -0.966 0.053 4 HA MET 1 HA MET 1 0.103 0.710 0.999 5 1HB MET 1 HB2 MET 1 0.972 -2.173 1.424 6 2HB MET 1 HB3 MET 1 1.642 -0.836 2.360 7 1HG MET 1 HG2 MET 1 -1.288 -1.627 2.248 8 2HG MET 1 HG3 MET 1 -0.154 -1.959 3.553 9 1HE MET 1 HE1 MET 1 -2.559 0.611 5.214 10 2HE MET 1 HE2 MET 1 -2.989 -0.638 4.025 11 3HE MET 1 HE3 MET 1 -1.811 -1.001 5.307 12 H ALA 2 H ALA 2 2.560 1.108 1.567 13 HA ALA 2 HA ALA 2 4.355 0.795 -0.723 14 1HB ALA 2 HB1 ALA 2 3.307 3.526 0.156 15 2HB ALA 2 HB2 ALA 2 4.556 3.224 -1.072 16 3HB ALA 2 HB3 ALA 2 2.892 2.710 -1.370 17 H ILE 3 H ILE 3 6.363 2.446 -0.081 18 HA ILE 3 HA ILE 3 7.139 1.896 2.693 19 HB ILE 3 HB ILE 3 8.401 3.586 0.502 20 1HG1 ILE 3 HG12 ILE 3 9.793 1.117 1.478 21 2HG1 ILE 3 HG13 ILE 3 8.299 0.803 0.612 22 1HG2 ILE 3 HG21 ILE 3 10.490 3.532 1.899 23 2HG2 ILE 3 HG22 ILE 3 9.189 4.454 2.647 24 3HG2 ILE 3 HG23 ILE 3 9.551 2.814 3.224 25 1HD1 ILE 3 HD11 ILE 3 10.227 0.832 -0.889 26 2HD1 ILE 3 HD12 ILE 3 9.042 2.096 -1.301 27 3HD1 ILE 3 HD13 ILE 3 10.563 2.522 -0.464 28 H VAL 4 H VAL 4 7.073 3.395 4.326 29 HA VAL 4 HA VAL 4 5.837 6.059 3.886 30 HB VAL 4 HB VAL 4 5.092 4.017 6.027 31 1HG1 VAL 4 HG11 VAL 4 4.680 6.204 6.925 32 2HG1 VAL 4 HG12 VAL 4 3.902 6.748 5.411 33 3HG1 VAL 4 HG13 VAL 4 3.138 5.536 6.458 34 1HG2 VAL 4 HG21 VAL 4 3.542 4.838 3.532 35 2HG2 VAL 4 HG22 VAL 4 4.154 3.216 3.931 36 3HG2 VAL 4 HG23 VAL 4 2.850 3.913 4.879 37 H LYS 5 H LYS 5 6.224 7.389 5.917 38 HA LYS 5 HA LYS 5 8.812 6.720 7.236 39 1HB LYS 5 HB2 LYS 5 8.876 8.589 5.491 40 2HB LYS 5 HB3 LYS 5 7.876 9.529 6.590 41 1HG LYS 5 HG2 LYS 5 9.567 9.904 8.080 42 2HG LYS 5 HG3 LYS 5 10.273 8.297 7.892 43 1HD LYS 5 HD2 LYS 5 10.513 10.488 5.798 44 2HD LYS 5 HD3 LYS 5 11.734 10.171 7.046 45 1HE LYS 5 HE2 LYS 5 12.195 7.972 6.220 46 2HE LYS 5 HE3 LYS 5 10.745 7.937 5.233 47 1HZ LYS 5 HZ1 LYS 5 12.729 8.360 3.883 48 2HZ LYS 5 HZ2 LYS 5 11.737 9.644 3.804 49 3HZ LYS 5 HZ3 LYS 5 13.082 9.713 4.723 50 H ALA 6 H ALA 6 8.741 7.207 9.519 51 HA ALA 6 HA ALA 6 6.218 8.307 10.628 52 1HB ALA 6 HB1 ALA 6 7.310 5.546 11.327 53 2HB ALA 6 HB2 ALA 6 5.943 6.352 12.123 54 3HB ALA 6 HB3 ALA 6 5.808 5.875 10.425 55 H THR 7 H THR 7 6.334 8.555 12.969 56 HA THR 7 HA THR 7 9.006 8.674 14.186 57 HB THR 7 HB THR 7 8.137 10.772 15.368 58 HG1 THR 7 HG1 THR 7 6.574 11.965 14.259 59 1HG2 THR 7 HG21 THR 7 8.879 12.321 13.588 60 2HG2 THR 7 HG22 THR 7 9.919 10.891 13.629 61 3HG2 THR 7 HG23 THR 7 8.683 11.045 12.364 62 H ASP 8 H ASP 8 8.695 8.810 16.615 63 HA ASP 8 HA ASP 8 7.284 6.714 17.604 64 1HB ASP 8 HB2 ASP 8 9.092 8.089 18.741 65 2HB ASP 8 HB3 ASP 8 7.854 9.267 19.157 66 H GLN 9 H GLN 9 6.017 9.932 17.053 67 HA GLN 9 HA GLN 9 3.716 9.873 18.699 68 1HB GLN 9 HB2 GLN 9 4.346 11.346 16.120 69 2HB GLN 9 HB3 GLN 9 2.916 11.674 17.098 70 1HG GLN 9 HG2 GLN 9 5.779 11.917 18.118 71 2HG GLN 9 HG3 GLN 9 4.805 13.260 17.532 72 1HE2 GLN 9 HE22 GLN 9 5.672 11.509 20.335 73 2HE2 GLN 9 HE21 GLN 9 4.407 12.086 21.387 74 H SER 10 H SER 10 4.308 8.488 15.506 75 HA SER 10 HA SER 10 1.438 7.651 15.306 76 1HB SER 10 HB2 SER 10 3.190 8.680 13.045 77 2HB SER 10 HB3 SER 10 1.471 8.255 12.962 78 HG SER 10 HG SER 10 1.806 10.515 13.165 79 H PHE 11 H PHE 11 4.660 6.537 15.296 80 HA PHE 11 HA PHE 11 4.786 4.580 13.377 81 1HB PHE 11 HB2 PHE 11 6.591 5.242 14.931 82 2HB PHE 11 HB3 PHE 11 5.752 4.467 16.267 83 HD1 PHE 11 HD1 PHE 11 5.954 2.072 16.627 84 HD2 PHE 11 HD2 PHE 11 7.504 3.888 13.031 85 HE1 PHE 11 HE1 PHE 11 7.163 -0.022 16.080 86 HE2 PHE 11 HE2 PHE 11 8.716 1.808 12.501 87 HZ PHE 11 HZ PHE 11 8.551 -0.163 14.035 88 H SER 12 H SER 12 3.192 4.239 16.607 89 HA SER 12 HA SER 12 2.542 1.532 16.350 90 1HB SER 12 HB2 SER 12 0.900 3.626 17.816 91 2HB SER 12 HB3 SER 12 1.079 1.908 18.218 92 HG SER 12 HG SER 12 2.393 3.265 19.529 93 H ALA 13 H ALA 13 0.779 4.396 15.173 94 HA ALA 13 HA ALA 13 -1.575 2.918 14.419 95 1HB ALA 13 HB1 ALA 13 -2.191 4.970 13.197 96 2HB ALA 13 HB2 ALA 13 -1.650 5.361 14.840 97 3HB ALA 13 HB3 ALA 13 -0.567 5.636 13.453 98 H GLU 14 H GLU 14 1.375 4.031 12.746 99 HA GLU 14 HA GLU 14 0.575 3.126 10.175 100 1HB GLU 14 HB2 GLU 14 3.338 3.619 11.364 101 2HB GLU 14 HB3 GLU 14 3.102 3.125 9.693 102 1HG GLU 14 HG2 GLU 14 2.078 5.682 10.972 103 2HG GLU 14 HG3 GLU 14 3.394 5.527 9.807 104 H THR 15 H THR 15 2.163 1.410 12.861 105 HA THR 15 HA THR 15 2.649 -0.916 11.237 106 HB THR 15 HB THR 15 3.531 -1.807 13.420 107 HG1 THR 15 HG1 THR 15 3.331 0.878 14.264 108 1HG2 THR 15 HG21 THR 15 4.644 0.808 12.294 109 2HG2 THR 15 HG22 THR 15 5.509 -0.256 13.411 110 3HG2 THR 15 HG23 THR 15 5.060 -0.845 11.807 111 H SER 16 H SER 16 -0.235 0.111 12.330 112 HA SER 16 HA SER 16 -1.112 -2.549 13.266 113 1HB SER 16 HB2 SER 16 -2.365 0.207 13.585 114 2HB SER 16 HB3 SER 16 -3.069 -1.308 14.180 115 HG SER 16 HG SER 16 -0.712 0.005 15.028 116 H GLU 17 H GLU 17 -0.628 -1.999 10.443 117 HA GLU 17 HA GLU 17 -3.377 -2.465 9.404 118 1HB GLU 17 HB2 GLU 17 -1.328 -0.579 8.181 119 2HB GLU 17 HB3 GLU 17 -2.895 -1.020 7.476 120 1HG GLU 17 HG2 GLU 17 -3.994 -0.132 9.584 121 2HG GLU 17 HG3 GLU 17 -2.425 0.558 10.022 122 H GLY 18 H GLY 18 -1.514 -4.483 10.030 123 1HA GLY 18 HA2 GLY 18 -1.813 -6.547 8.654 124 2HA GLY 18 HA3 GLY 18 -1.083 -5.669 7.304 125 H VAL 19 H VAL 19 0.682 -7.138 7.128 126 HA VAL 19 HA VAL 19 2.627 -7.307 9.349 127 HB VAL 19 HB VAL 19 2.896 -8.048 6.387 128 1HG1 VAL 19 HG11 VAL 19 4.946 -9.271 7.137 129 2HG1 VAL 19 HG12 VAL 19 5.102 -7.530 7.390 130 3HG1 VAL 19 HG13 VAL 19 4.743 -8.593 8.766 131 1HG2 VAL 19 HG21 VAL 19 2.833 -10.378 7.148 132 2HG2 VAL 19 HG22 VAL 19 2.589 -9.861 8.818 133 3HG2 VAL 19 HG23 VAL 19 1.324 -9.567 7.593 134 H VAL 20 H VAL 20 4.182 -5.742 9.615 135 HA VAL 20 HA VAL 20 4.575 -3.736 7.472 136 HB VAL 20 HB VAL 20 4.113 -3.092 10.416 137 1HG1 VAL 20 HG11 VAL 20 5.649 -1.510 9.358 138 2HG1 VAL 20 HG12 VAL 20 4.577 -1.348 7.956 139 3HG1 VAL 20 HG13 VAL 20 4.077 -0.723 9.535 140 1HG2 VAL 20 HG21 VAL 20 2.018 -1.881 9.464 141 2HG2 VAL 20 HG22 VAL 20 2.260 -2.827 7.998 142 3HG2 VAL 20 HG23 VAL 20 1.938 -3.636 9.542 143 H LEU 21 H LEU 21 6.721 -3.364 7.155 144 HA LEU 21 HA LEU 21 8.639 -4.631 9.071 145 1HB LEU 21 HB2 LEU 21 8.379 -5.664 6.808 146 2HB LEU 21 HB3 LEU 21 9.032 -4.184 6.091 147 HG LEU 21 HG LEU 21 10.420 -6.039 8.090 148 1HD1 LEU 21 HD11 LEU 21 10.901 -5.658 5.107 149 2HD1 LEU 21 HD12 LEU 21 11.783 -6.759 6.189 150 3HD1 LEU 21 HD13 LEU 21 10.073 -7.045 5.851 151 1HD2 LEU 21 HD21 LEU 21 11.438 -3.550 6.667 152 2HD2 LEU 21 HD22 LEU 21 11.447 -3.921 8.415 153 3HD2 LEU 21 HD23 LEU 21 12.507 -4.805 7.322 154 H ALA 22 H ALA 22 9.247 -3.026 10.368 155 HA ALA 22 HA ALA 22 9.434 -0.264 9.405 156 1HB ALA 22 HB1 ALA 22 8.471 -0.630 11.608 157 2HB ALA 22 HB2 ALA 22 9.895 -1.581 12.100 158 3HB ALA 22 HB3 ALA 22 10.061 0.160 11.786 159 H ASP 23 H ASP 23 11.396 0.817 9.241 160 HA ASP 23 HA ASP 23 13.922 -0.789 9.314 161 1HB ASP 23 HB2 ASP 23 13.366 -0.579 7.014 162 2HB ASP 23 HB3 ASP 23 12.851 1.096 7.207 163 H PHE 24 H PHE 24 14.646 -0.076 11.196 164 HA PHE 24 HA PHE 24 14.584 2.730 12.045 165 1HB PHE 24 HB2 PHE 24 15.738 0.168 13.232 166 2HB PHE 24 HB3 PHE 24 16.018 1.759 13.911 167 HD1 PHE 24 HD1 PHE 24 14.505 2.631 15.509 168 HD2 PHE 24 HD2 PHE 24 13.173 -0.509 12.866 169 HE1 PHE 24 HE1 PHE 24 12.293 2.651 16.597 170 HE2 PHE 24 HE2 PHE 24 10.963 -0.487 13.982 171 HZ PHE 24 HZ PHE 24 10.489 1.137 15.786 172 H TRP 25 H TRP 25 15.967 4.086 11.109 173 HA TRP 25 HA TRP 25 18.669 3.287 10.393 174 1HB TRP 25 HB2 TRP 25 18.356 3.061 8.202 175 2HB TRP 25 HB3 TRP 25 16.641 3.038 8.474 176 HD1 TRP 25 HD1 TRP 25 19.298 4.930 6.720 177 HE1 TRP 25 HE1 TRP 25 18.335 7.000 5.560 178 HE3 TRP 25 HE3 TRP 25 14.790 5.183 9.099 179 HZ2 TRP 25 HZ2 TRP 25 16.108 8.796 5.941 180 HZ3 TRP 25 HZ3 TRP 25 13.330 7.186 8.804 181 HH2 TRP 25 HH2 TRP 25 14.011 9.010 7.268 182 H ALA 26 H ALA 26 19.549 5.532 9.115 183 HA ALA 26 HA ALA 26 18.247 7.927 9.971 184 1HB ALA 26 HB1 ALA 26 19.506 7.524 12.059 185 2HB ALA 26 HB2 ALA 26 21.000 7.284 11.121 186 3HB ALA 26 HB3 ALA 26 20.206 8.881 11.175 187 HA PRO 27 HA PRO 27 20.271 8.741 6.116 188 1HB PRO 27 HB2 PRO 27 20.576 11.624 6.862 189 2HB PRO 27 HB3 PRO 27 19.850 10.874 5.398 190 1HG PRO 27 HG2 PRO 27 18.289 11.903 7.417 191 2HG PRO 27 HG3 PRO 27 17.830 10.409 6.543 192 1HD PRO 27 HD2 PRO 27 19.135 10.667 9.257 193 2HD PRO 27 HD3 PRO 27 17.828 9.570 8.714 194 H TRP 28 H TRP 28 22.028 9.586 9.057 195 HA TRP 28 HA TRP 28 24.504 10.176 7.680 196 1HB TRP 28 HB2 TRP 28 25.573 9.995 9.815 197 2HB TRP 28 HB3 TRP 28 24.099 10.924 9.985 198 HD1 TRP 28 HD1 TRP 28 22.302 10.040 11.637 199 HE1 TRP 28 HE1 TRP 28 22.225 8.218 13.418 200 HE3 TRP 28 HE3 TRP 28 26.501 7.429 10.293 201 HZ2 TRP 28 HZ2 TRP 28 23.715 5.825 14.095 202 HZ3 TRP 28 HZ3 TRP 28 27.121 5.360 11.500 203 HH2 TRP 28 HH2 TRP 28 25.734 4.542 13.396 204 H CYS 29 H CYS 29 22.736 7.276 8.254 205 HA CYS 29 HA CYS 29 24.735 5.378 8.739 206 1HB CYS 29 HB2 CYS 29 22.190 5.201 8.931 207 2HB CYS 29 HB3 CYS 29 22.147 5.062 7.203 208 H GLY 30 H GLY 30 25.805 3.901 7.333 209 1HA GLY 30 HA2 GLY 30 26.000 4.649 4.440 210 2HA GLY 30 HA3 GLY 30 27.210 3.765 5.369 211 HA PRO 31 HA PRO 31 25.502 -0.169 4.445 212 1HB PRO 31 HB2 PRO 31 24.404 -0.648 7.210 213 2HB PRO 31 HB3 PRO 31 25.450 -1.704 6.221 214 1HG PRO 31 HG2 PRO 31 26.494 -0.244 8.255 215 2HG PRO 31 HG3 PRO 31 27.369 -0.371 6.693 216 1HD PRO 31 HD2 PRO 31 25.622 1.902 7.683 217 2HD PRO 31 HD3 PRO 31 27.212 1.970 6.865 218 H CYS 32 H CYS 32 23.152 1.756 6.346 219 HA CYS 32 HA CYS 32 20.775 0.477 5.577 220 1HB CYS 32 HB2 CYS 32 21.094 3.473 5.881 221 2HB CYS 32 HB3 CYS 32 19.648 2.507 6.104 222 H LYS 33 H LYS 33 22.847 2.740 3.734 223 HA LYS 33 HA LYS 33 20.881 3.338 1.726 224 1HB LYS 33 HB2 LYS 33 23.899 3.481 1.410 225 2HB LYS 33 HB3 LYS 33 22.683 4.397 0.532 226 1HG LYS 33 HG2 LYS 33 23.398 4.707 3.482 227 2HG LYS 33 HG3 LYS 33 23.887 5.767 2.170 228 1HD LYS 33 HD2 LYS 33 21.590 6.523 1.832 229 2HD LYS 33 HD3 LYS 33 20.973 5.316 2.965 230 1HE LYS 33 HE2 LYS 33 21.064 7.539 4.037 231 2HE LYS 33 HE3 LYS 33 22.125 6.360 4.841 232 1HZ LYS 33 HZ1 LYS 33 23.087 8.591 4.480 233 2HZ LYS 33 HZ2 LYS 33 23.993 7.360 3.939 234 3HZ LYS 33 HZ3 LYS 33 23.150 8.306 2.861 235 H MET 34 H MET 34 23.064 0.612 2.271 236 HA MET 34 HA MET 34 23.052 -0.337 -0.439 237 1HB MET 34 HB2 MET 34 23.440 -1.968 2.094 238 2HB MET 34 HB3 MET 34 23.922 -2.408 0.458 239 1HG MET 34 HG2 MET 34 25.487 -0.426 0.463 240 2HG MET 34 HG3 MET 34 25.092 -0.182 2.163 241 1HE MET 34 HE1 MET 34 26.462 -3.647 3.692 242 2HE MET 34 HE2 MET 34 25.263 -2.352 3.909 243 3HE MET 34 HE3 MET 34 24.942 -3.684 2.780 244 H ILE 35 H ILE 35 21.072 -1.002 2.485 245 HA ILE 35 HA ILE 35 19.511 -2.962 1.043 246 HB ILE 35 HB ILE 35 20.136 -3.302 3.371 247 1HG1 ILE 35 HG12 ILE 35 17.126 -3.246 2.963 248 2HG1 ILE 35 HG13 ILE 35 18.227 -4.482 2.347 249 1HG2 ILE 35 HG21 ILE 35 19.025 -2.125 5.213 250 2HG2 ILE 35 HG22 ILE 35 19.955 -1.024 4.218 251 3HG2 ILE 35 HG23 ILE 35 18.181 -1.074 4.052 252 1HD1 ILE 35 HD11 ILE 35 18.865 -4.981 4.745 253 2HD1 ILE 35 HD12 ILE 35 17.577 -3.867 5.256 254 3HD1 ILE 35 HD13 ILE 35 17.177 -5.319 4.333 255 H ALA 36 H ALA 36 19.152 0.503 1.674 256 HA ALA 36 HA ALA 36 16.455 0.859 1.471 257 1HB ALA 36 HB1 ALA 36 18.007 2.683 1.838 258 2HB ALA 36 HB2 ALA 36 18.611 2.567 0.174 259 3HB ALA 36 HB3 ALA 36 16.935 3.067 0.478 260 HA PRO 37 HA PRO 37 16.172 0.602 -3.274 261 1HB PRO 37 HB2 PRO 37 18.079 -0.764 -4.733 262 2HB PRO 37 HB3 PRO 37 18.091 1.004 -4.460 263 1HG PRO 37 HG2 PRO 37 19.591 -1.130 -2.916 264 2HG PRO 37 HG3 PRO 37 20.224 0.416 -3.567 265 1HD PRO 37 HD2 PRO 37 19.502 0.196 -0.982 266 2HD PRO 37 HD3 PRO 37 19.117 1.677 -1.898 267 H VAL 38 H VAL 38 17.636 -2.039 -1.403 268 HA VAL 38 HA VAL 38 16.225 -4.129 -2.773 269 HB VAL 38 HB VAL 38 17.284 -4.259 0.071 270 1HG1 VAL 38 HG11 VAL 38 15.913 -6.164 -0.688 271 2HG1 VAL 38 HG12 VAL 38 16.952 -6.363 -2.119 272 3HG1 VAL 38 HG13 VAL 38 17.600 -6.631 -0.471 273 1HG2 VAL 38 HG21 VAL 38 19.403 -5.129 -0.886 274 2HG2 VAL 38 HG22 VAL 38 18.841 -4.710 -2.520 275 3HG2 VAL 38 HG23 VAL 38 19.158 -3.441 -1.317 276 H LEU 39 H LEU 39 15.528 -2.051 0.124 277 HA LEU 39 HA LEU 39 12.999 -3.250 0.658 278 1HB LEU 39 HB2 LEU 39 14.027 -0.436 1.194 279 2HB LEU 39 HB3 LEU 39 12.470 -1.022 1.756 280 HG LEU 39 HG LEU 39 15.106 -2.347 2.465 281 1HD1 LEU 39 HD11 LEU 39 13.465 -0.353 4.082 282 2HD1 LEU 39 HD12 LEU 39 14.896 -1.237 4.661 283 3HD1 LEU 39 HD13 LEU 39 15.055 -0.063 3.347 284 1HD2 LEU 39 HD21 LEU 39 12.340 -2.635 3.726 285 2HD2 LEU 39 HD22 LEU 39 13.109 -3.837 2.671 286 3HD2 LEU 39 HD23 LEU 39 13.825 -3.462 4.242 287 H GLU 40 H GLU 40 13.931 -0.596 -1.603 288 HA GLU 40 HA GLU 40 11.251 -0.131 -2.466 289 1HB GLU 40 HB2 GLU 40 13.862 0.187 -3.985 290 2HB GLU 40 HB3 GLU 40 12.283 0.667 -4.608 291 1HG GLU 40 HG2 GLU 40 11.963 2.178 -2.667 292 2HG GLU 40 HG3 GLU 40 13.559 1.746 -2.059 293 H GLU 41 H GLU 41 13.652 -2.535 -3.615 294 HA GLU 41 HA GLU 41 11.932 -3.669 -5.583 295 1HB GLU 41 HB2 GLU 41 14.326 -4.775 -4.079 296 2HB GLU 41 HB3 GLU 41 13.448 -5.704 -5.300 297 1HG GLU 41 HG2 GLU 41 13.874 -3.994 -6.997 298 2HG GLU 41 HG3 GLU 41 14.698 -2.972 -5.829 299 H LEU 42 H LEU 42 12.352 -4.384 -2.119 300 HA LEU 42 HA LEU 42 10.585 -6.595 -1.997 301 1HB LEU 42 HB2 LEU 42 12.171 -5.918 -0.166 302 2HB LEU 42 HB3 LEU 42 11.173 -4.503 0.155 303 HG LEU 42 HG LEU 42 9.237 -6.029 0.694 304 1HD1 LEU 42 HD11 LEU 42 9.776 -8.417 1.199 305 2HD1 LEU 42 HD12 LEU 42 9.902 -8.047 -0.524 306 3HD1 LEU 42 HD13 LEU 42 11.376 -8.194 0.461 307 1HD2 LEU 42 HD21 LEU 42 10.196 -6.754 2.896 308 2HD2 LEU 42 HD22 LEU 42 11.800 -6.272 2.297 309 3HD2 LEU 42 HD23 LEU 42 10.525 -5.064 2.482 310 H ASP 43 H ASP 43 9.995 -3.064 -1.639 311 HA ASP 43 HA ASP 43 7.252 -3.198 -1.038 312 1HB ASP 43 HB2 ASP 43 8.724 -1.134 -0.970 313 2HB ASP 43 HB3 ASP 43 8.613 -1.067 -2.740 314 H GLN 44 H GLN 44 8.943 -3.095 -4.164 315 HA GLN 44 HA GLN 44 6.545 -3.044 -5.733 316 1HB GLN 44 HB2 GLN 44 9.449 -3.641 -6.388 317 2HB GLN 44 HB3 GLN 44 8.178 -3.562 -7.617 318 1HG GLN 44 HG2 GLN 44 7.682 -1.260 -7.126 319 2HG GLN 44 HG3 GLN 44 8.678 -1.259 -5.673 320 1HE2 GLN 44 HE22 GLN 44 10.983 -1.386 -5.884 321 2HE2 GLN 44 HE21 GLN 44 11.799 -0.876 -7.364 322 H GLU 45 H GLU 45 7.951 -5.630 -3.989 323 HA GLU 45 HA GLU 45 6.756 -7.728 -5.714 324 1HB GLU 45 HB2 GLU 45 8.834 -7.713 -3.496 325 2HB GLU 45 HB3 GLU 45 8.114 -9.203 -4.104 326 1HG GLU 45 HG2 GLU 45 9.529 -7.198 -5.902 327 2HG GLU 45 HG3 GLU 45 10.350 -8.543 -5.114 328 H MET 46 H MET 46 6.574 -6.263 -2.489 329 HA MET 46 HA MET 46 4.436 -8.216 -1.761 330 1HB MET 46 HB2 MET 46 6.425 -6.793 0.039 331 2HB MET 46 HB3 MET 46 5.285 -8.055 0.505 332 1HG MET 46 HG2 MET 46 7.692 -8.340 -1.342 333 2HG MET 46 HG3 MET 46 7.550 -8.965 0.290 334 1HE MET 46 HE1 MET 46 6.629 -11.196 0.923 335 2HE MET 46 HE2 MET 46 5.012 -10.475 0.681 336 3HE MET 46 HE3 MET 46 5.386 -12.080 0.007 337 H GLY 47 H GLY 47 4.777 -4.920 -2.485 338 1HA GLY 47 HA2 GLY 47 3.573 -3.551 -0.434 339 2HA GLY 47 HA3 GLY 47 3.472 -3.111 -2.139 340 H ASP 48 H ASP 48 1.900 -5.917 -2.239 341 HA ASP 48 HA ASP 48 -0.761 -4.755 -2.072 342 1HB ASP 48 HB2 ASP 48 -0.173 -6.359 -3.847 343 2HB ASP 48 HB3 ASP 48 0.164 -7.595 -2.631 344 H LYS 49 H LYS 49 1.379 -6.631 -0.053 345 HA LYS 49 HA LYS 49 -0.751 -7.139 1.984 346 1HB LYS 49 HB2 LYS 49 1.636 -8.870 1.191 347 2HB LYS 49 HB3 LYS 49 0.498 -9.220 2.499 348 1HG LYS 49 HG2 LYS 49 -1.364 -9.370 0.911 349 2HG LYS 49 HG3 LYS 49 -0.284 -8.985 -0.436 350 1HD LYS 49 HD2 LYS 49 -0.053 -11.469 1.311 351 2HD LYS 49 HD3 LYS 49 -0.840 -11.383 -0.272 352 1HE LYS 49 HE2 LYS 49 1.375 -10.507 -1.207 353 2HE LYS 49 HE3 LYS 49 2.112 -10.942 0.341 354 1HZ LYS 49 HZ1 LYS 49 2.362 -12.711 -1.289 355 2HZ LYS 49 HZ2 LYS 49 1.399 -13.253 -0.087 356 3HZ LYS 49 HZ3 LYS 49 0.757 -12.815 -1.523 357 H LEU 50 H LEU 50 2.387 -5.756 1.332 358 HA LEU 50 HA LEU 50 3.036 -5.636 4.223 359 1HB LEU 50 HB2 LEU 50 4.543 -6.985 2.780 360 2HB LEU 50 HB3 LEU 50 4.738 -5.593 1.705 361 HG LEU 50 HG LEU 50 5.854 -4.329 3.546 362 1HD1 LEU 50 HD11 LEU 50 6.650 -5.606 5.504 363 2HD1 LEU 50 HD12 LEU 50 4.899 -5.501 5.488 364 3HD1 LEU 50 HD13 LEU 50 5.688 -7.010 4.991 365 1HD2 LEU 50 HD21 LEU 50 7.181 -5.401 1.877 366 2HD2 LEU 50 HD22 LEU 50 7.962 -5.640 3.447 367 3HD2 LEU 50 HD23 LEU 50 7.051 -6.972 2.690 368 H LYS 51 H LYS 51 3.720 -3.730 5.066 369 HA LYS 51 HA LYS 51 3.886 -1.293 3.342 370 1HB LYS 51 HB2 LYS 51 1.910 -1.184 4.910 371 2HB LYS 51 HB3 LYS 51 3.007 -1.462 6.261 372 1HG LYS 51 HG2 LYS 51 4.256 0.673 5.496 373 2HG LYS 51 HG3 LYS 51 2.887 0.968 4.423 374 1HD LYS 51 HD2 LYS 51 2.740 0.636 7.456 375 2HD LYS 51 HD3 LYS 51 2.843 2.186 6.618 376 1HE LYS 51 HE2 LYS 51 0.706 1.722 5.450 377 2HE LYS 51 HE3 LYS 51 0.579 0.165 6.291 378 1HZ LYS 51 HZ1 LYS 51 0.532 1.371 8.378 379 2HZ LYS 51 HZ2 LYS 51 0.659 2.820 7.609 380 3HZ LYS 51 HZ3 LYS 51 -0.695 1.908 7.416 381 H ILE 52 H ILE 52 5.798 -0.046 3.824 382 HA ILE 52 HA ILE 52 7.726 -1.364 5.683 383 HB ILE 52 HB ILE 52 8.283 -0.003 3.030 384 1HG1 ILE 52 HG12 ILE 52 8.715 -2.891 3.926 385 2HG1 ILE 52 HG13 ILE 52 7.450 -2.334 2.833 386 1HG2 ILE 52 HG21 ILE 52 10.020 0.590 4.704 387 2HG2 ILE 52 HG22 ILE 52 10.281 -1.138 5.038 388 3HG2 ILE 52 HG23 ILE 52 10.670 -0.447 3.448 389 1HD1 ILE 52 HD11 ILE 52 10.420 -2.402 2.264 390 2HD1 ILE 52 HD12 ILE 52 9.112 -3.281 1.460 391 3HD1 ILE 52 HD13 ILE 52 9.247 -1.526 1.253 392 H VAL 53 H VAL 53 8.619 0.089 7.205 393 HA VAL 53 HA VAL 53 7.617 2.916 7.040 394 HB VAL 53 HB VAL 53 7.347 1.003 9.389 395 1HG1 VAL 53 HG11 VAL 53 7.937 3.246 10.241 396 2HG1 VAL 53 HG12 VAL 53 6.698 3.983 9.201 397 3HG1 VAL 53 HG13 VAL 53 6.234 2.912 10.545 398 1HG2 VAL 53 HG21 VAL 53 4.936 1.473 9.144 399 2HG2 VAL 53 HG22 VAL 53 5.262 2.494 7.732 400 3HG2 VAL 53 HG23 VAL 53 5.583 0.755 7.665 401 H LYS 54 H LYS 54 9.524 3.933 6.629 402 HA LYS 54 HA LYS 54 11.985 3.125 8.028 403 1HB LYS 54 HB2 LYS 54 11.412 5.511 6.216 404 2HB LYS 54 HB3 LYS 54 13.001 5.028 6.835 405 1HG LYS 54 HG2 LYS 54 12.791 2.836 5.665 406 2HG LYS 54 HG3 LYS 54 11.224 3.318 5.030 407 1HD LYS 54 HD2 LYS 54 12.904 3.587 3.312 408 2HD LYS 54 HD3 LYS 54 12.233 5.146 3.773 409 1HE LYS 54 HE2 LYS 54 14.571 5.440 3.480 410 2HE LYS 54 HE3 LYS 54 14.246 5.564 5.212 411 1HZ LYS 54 HZ1 LYS 54 15.408 3.226 3.812 412 2HZ LYS 54 HZ2 LYS 54 16.191 4.232 4.833 413 3HZ LYS 54 HZ3 LYS 54 15.049 3.212 5.405 414 H ILE 55 H ILE 55 12.787 4.107 9.892 415 HA ILE 55 HA ILE 55 11.478 6.568 10.856 416 HB ILE 55 HB ILE 55 10.135 4.918 11.866 417 1HG1 ILE 55 HG12 ILE 55 12.088 5.802 14.023 418 2HG1 ILE 55 HG13 ILE 55 10.994 6.911 13.196 419 1HG2 ILE 55 HG21 ILE 55 10.920 3.111 13.327 420 2HG2 ILE 55 HG22 ILE 55 11.569 2.907 11.702 421 3HG2 ILE 55 HG23 ILE 55 12.603 3.547 12.997 422 1HD1 ILE 55 HD11 ILE 55 10.138 4.530 14.887 423 2HD1 ILE 55 HD12 ILE 55 10.007 6.242 15.307 424 3HD1 ILE 55 HD13 ILE 55 9.040 5.596 13.974 425 H ASP 56 H ASP 56 12.869 7.976 11.584 426 HA ASP 56 HA ASP 56 15.698 7.403 11.264 427 1HB ASP 56 HB2 ASP 56 14.723 9.396 10.292 428 2HB ASP 56 HB3 ASP 56 14.217 9.968 11.884 429 H VAL 57 H VAL 57 16.725 6.457 13.007 430 HA VAL 57 HA VAL 57 15.693 6.513 15.642 431 HB VAL 57 HB VAL 57 17.795 5.487 16.342 432 1HG1 VAL 57 HG11 VAL 57 16.827 4.331 13.697 433 2HG1 VAL 57 HG12 VAL 57 17.591 3.460 15.048 434 3HG1 VAL 57 HG13 VAL 57 15.991 4.187 15.254 435 1HG2 VAL 57 HG21 VAL 57 19.453 6.695 14.951 436 2HG2 VAL 57 HG22 VAL 57 19.605 4.943 14.766 437 3HG2 VAL 57 HG23 VAL 57 18.816 5.895 13.502 438 H ASP 58 H ASP 58 17.715 8.901 14.010 439 HA ASP 58 HA ASP 58 18.990 9.932 16.373 440 1HB ASP 58 HB2 ASP 58 19.804 10.307 14.054 441 2HB ASP 58 HB3 ASP 58 18.389 11.321 13.738 442 H GLU 59 H GLU 59 15.756 10.197 15.192 443 HA GLU 59 HA GLU 59 15.160 12.417 17.112 444 1HB GLU 59 HB2 GLU 59 13.845 11.736 14.453 445 2HB GLU 59 HB3 GLU 59 13.278 12.971 15.587 446 1HG GLU 59 HG2 GLU 59 15.552 14.089 15.372 447 2HG GLU 59 HG3 GLU 59 15.887 12.995 14.028 448 H ASN 60 H ASN 60 15.022 9.167 16.921 449 HA ASN 60 HA ASN 60 12.379 8.934 18.273 450 1HB ASN 60 HB2 ASN 60 13.201 7.305 15.835 451 2HB ASN 60 HB3 ASN 60 11.815 6.972 16.864 452 1HD2 ASN 60 HD22 ASN 60 12.997 8.986 14.284 453 2HD2 ASN 60 HD21 ASN 60 11.513 9.891 14.041 454 H GLN 61 H GLN 61 14.858 8.981 19.462 455 HA GLN 61 HA GLN 61 16.109 6.495 19.941 456 1HB GLN 61 HB2 GLN 61 15.695 8.946 21.699 457 2HB GLN 61 HB3 GLN 61 16.711 7.582 22.169 458 1HG GLN 61 HG2 GLN 61 17.154 9.221 19.637 459 2HG GLN 61 HG3 GLN 61 17.963 9.523 21.171 460 1HE2 GLN 61 HE22 GLN 61 17.962 7.591 18.292 461 2HE2 GLN 61 HE21 GLN 61 19.311 6.546 18.724 462 H GLU 62 H GLU 62 13.061 7.868 21.171 463 HA GLU 62 HA GLU 62 12.708 6.091 23.346 464 1HB GLU 62 HB2 GLU 62 10.530 7.431 21.661 465 2HB GLU 62 HB3 GLU 62 10.388 6.805 23.300 466 1HG GLU 62 HG2 GLU 62 10.650 8.973 23.848 467 2HG GLU 62 HG3 GLU 62 12.358 8.569 23.782 468 H THR 63 H THR 63 11.443 5.915 19.936 469 HA THR 63 HA THR 63 10.127 3.435 20.338 470 HB THR 63 HB THR 63 11.182 4.233 17.680 471 HG1 THR 63 HG1 THR 63 9.214 5.725 19.073 472 1HG2 THR 63 HG21 THR 63 8.956 3.702 16.857 473 2HG2 THR 63 HG22 THR 63 9.567 2.372 17.846 474 3HG2 THR 63 HG23 THR 63 8.361 3.483 18.524 475 H ALA 64 H ALA 64 13.394 4.313 19.111 476 HA ALA 64 HA ALA 64 14.293 1.684 18.517 477 1HB ALA 64 HB1 ALA 64 16.577 2.695 18.859 478 2HB ALA 64 HB2 ALA 64 15.531 3.726 17.863 479 3HB ALA 64 HB3 ALA 64 15.823 4.123 19.571 480 H GLY 65 H GLY 65 14.460 3.543 21.607 481 1HA GLY 65 HA2 GLY 65 15.680 1.544 23.181 482 2HA GLY 65 HA3 GLY 65 14.646 2.865 23.759 483 H LYS 66 H LYS 66 12.304 1.940 22.147 484 HA LYS 66 HA LYS 66 10.990 0.379 24.036 485 1HB LYS 66 HB2 LYS 66 10.080 1.847 22.051 486 2HB LYS 66 HB3 LYS 66 10.294 0.411 21.076 487 1HG LYS 66 HG2 LYS 66 8.012 0.548 21.729 488 2HG LYS 66 HG3 LYS 66 8.723 -0.843 22.547 489 1HD LYS 66 HD2 LYS 66 8.900 0.454 24.645 490 2HD LYS 66 HD3 LYS 66 8.276 1.896 23.841 491 1HE LYS 66 HE2 LYS 66 6.768 -0.746 24.141 492 2HE LYS 66 HE3 LYS 66 6.617 0.615 25.252 493 1HZ LYS 66 HZ1 LYS 66 5.887 0.694 22.383 494 2HZ LYS 66 HZ2 LYS 66 4.851 0.636 23.635 495 3HZ LYS 66 HZ3 LYS 66 5.774 1.957 23.420 496 H TYR 67 H TYR 67 12.970 -0.678 21.282 497 HA TYR 67 HA TYR 67 12.494 -3.512 22.122 498 1HB TYR 67 HB2 TYR 67 13.413 -2.821 19.367 499 2HB TYR 67 HB3 TYR 67 12.486 -4.205 19.918 500 HD1 TYR 67 HD1 TYR 67 10.001 -3.652 20.750 501 HD2 TYR 67 HD2 TYR 67 12.403 -1.003 18.332 502 HE1 TYR 67 HE1 TYR 67 7.974 -2.362 20.150 503 HE2 TYR 67 HE2 TYR 67 10.427 0.311 17.781 504 HH TYR 67 HH TYR 67 7.130 -0.509 19.018 505 H GLY 68 H GLY 68 14.677 -1.276 22.749 506 1HA GLY 68 HA2 GLY 68 16.900 -1.259 23.229 507 2HA GLY 68 HA3 GLY 68 16.883 -3.026 23.114 508 H VAL 69 H VAL 69 16.049 -0.818 20.415 509 HA VAL 69 HA VAL 69 18.091 -1.936 18.665 510 HB VAL 69 HB VAL 69 16.336 0.539 18.370 511 1HG1 VAL 69 HG11 VAL 69 18.241 0.687 16.865 512 2HG1 VAL 69 HG12 VAL 69 17.989 -0.981 16.322 513 3HG1 VAL 69 HG13 VAL 69 16.799 0.282 15.932 514 1HG2 VAL 69 HG21 VAL 69 15.879 -2.296 17.376 515 2HG2 VAL 69 HG22 VAL 69 14.897 -1.387 18.544 516 3HG2 VAL 69 HG23 VAL 69 14.940 -0.874 16.862 517 H MET 70 H MET 70 20.190 -1.369 18.796 518 HA MET 70 HA MET 70 20.985 1.324 19.814 519 1HB MET 70 HB2 MET 70 22.140 -1.407 20.510 520 2HB MET 70 HB3 MET 70 22.916 0.123 20.924 521 1HG MET 70 HG2 MET 70 20.166 -0.728 21.888 522 2HG MET 70 HG3 MET 70 21.657 -0.867 22.807 523 1HE MET 70 HE1 MET 70 18.883 0.568 23.717 524 2HE MET 70 HE2 MET 70 20.291 0.332 24.779 525 3HE MET 70 HE3 MET 70 19.552 1.943 24.623 526 H SER 71 H SER 71 20.881 -0.479 17.114 527 HA SER 71 HA SER 71 23.255 0.690 15.919 528 1HB SER 71 HB2 SER 71 22.600 -2.290 15.700 529 2HB SER 71 HB3 SER 71 23.922 -1.445 14.884 530 HG SER 71 HG SER 71 24.617 -2.575 16.753 531 H ILE 72 H ILE 72 23.012 0.529 13.482 532 HA ILE 72 HA ILE 72 20.362 -0.175 12.505 533 HB ILE 72 HB ILE 72 20.208 1.952 11.212 534 1HG1 ILE 72 HG12 ILE 72 22.065 3.206 13.273 535 2HG1 ILE 72 HG13 ILE 72 22.644 2.685 11.681 536 1HG2 ILE 72 HG21 ILE 72 19.044 3.159 12.935 537 2HG2 ILE 72 HG22 ILE 72 18.857 1.437 13.277 538 3HG2 ILE 72 HG23 ILE 72 20.009 2.398 14.215 539 1HD1 ILE 72 HD11 ILE 72 22.158 5.047 11.604 540 2HD1 ILE 72 HD12 ILE 72 20.975 4.182 10.607 541 3HD1 ILE 72 HD13 ILE 72 20.516 4.790 12.213 542 HA PRO 73 HA PRO 73 19.479 0.241 10.085 543 1HB PRO 73 HB2 PRO 73 19.040 -1.731 8.237 544 2HB PRO 73 HB3 PRO 73 19.696 -0.125 7.820 545 1HG PRO 73 HG2 PRO 73 21.204 -2.709 8.263 546 2HG PRO 73 HG3 PRO 73 21.433 -1.506 6.959 547 1HD PRO 73 HD2 PRO 73 23.019 -1.583 9.195 548 2HD PRO 73 HD3 PRO 73 22.597 -0.044 8.393 549 H THR 74 H THR 74 17.868 -0.713 11.227 550 HA THR 74 HA THR 74 18.128 -3.584 11.980 551 HB THR 74 HB THR 74 17.525 -1.261 13.850 552 HG1 THR 74 HG1 THR 74 19.506 -1.574 14.381 553 1HG2 THR 74 HG21 THR 74 17.343 -3.122 15.596 554 2HG2 THR 74 HG22 THR 74 15.975 -2.979 14.486 555 3HG2 THR 74 HG23 THR 74 17.173 -4.265 14.251 556 H LEU 75 H LEU 75 16.176 -4.678 11.979 557 HA LEU 75 HA LEU 75 13.970 -3.229 10.609 558 1HB LEU 75 HB2 LEU 75 14.975 -6.049 10.134 559 2HB LEU 75 HB3 LEU 75 13.626 -5.282 9.315 560 HG LEU 75 HG LEU 75 16.564 -4.482 9.100 561 1HD1 LEU 75 HD11 LEU 75 16.411 -5.356 6.817 562 2HD1 LEU 75 HD12 LEU 75 15.994 -6.615 7.985 563 3HD1 LEU 75 HD13 LEU 75 14.709 -5.797 7.070 564 1HD2 LEU 75 HD21 LEU 75 15.279 -2.474 8.796 565 2HD2 LEU 75 HD22 LEU 75 15.843 -3.015 7.217 566 3HD2 LEU 75 HD23 LEU 75 14.152 -3.278 7.691 567 H LEU 76 H LEU 76 11.999 -3.519 11.574 568 HA LEU 76 HA LEU 76 11.717 -5.671 13.661 569 1HB LEU 76 HB2 LEU 76 10.808 -2.769 13.672 570 2HB LEU 76 HB3 LEU 76 9.929 -3.989 14.556 571 HG LEU 76 HG LEU 76 11.472 -2.611 15.943 572 1HD1 LEU 76 HD11 LEU 76 12.026 -5.612 15.878 573 2HD1 LEU 76 HD12 LEU 76 12.396 -4.519 17.229 574 3HD1 LEU 76 HD13 LEU 76 10.721 -4.774 16.736 575 1HD2 LEU 76 HD21 LEU 76 13.755 -4.165 14.693 576 2HD2 LEU 76 HD22 LEU 76 13.354 -2.491 14.270 577 3HD2 LEU 76 HD23 LEU 76 13.829 -2.902 15.929 578 H VAL 77 H VAL 77 10.099 -7.032 13.117 579 HA VAL 77 HA VAL 77 8.291 -6.239 10.874 580 HB VAL 77 HB VAL 77 8.591 -9.021 12.020 581 1HG1 VAL 77 HG11 VAL 77 7.586 -9.686 9.861 582 2HG1 VAL 77 HG12 VAL 77 6.544 -8.561 10.740 583 3HG1 VAL 77 HG13 VAL 77 7.512 -7.982 9.366 584 1HG2 VAL 77 HG21 VAL 77 9.978 -9.614 10.069 585 2HG2 VAL 77 HG22 VAL 77 10.103 -7.897 9.623 586 3HG2 VAL 77 HG23 VAL 77 10.819 -8.494 11.140 587 H LEU 78 H LEU 78 6.333 -5.637 11.549 588 HA LEU 78 HA LEU 78 5.386 -6.506 14.220 589 1HB LEU 78 HB2 LEU 78 4.772 -3.881 12.778 590 2HB LEU 78 HB3 LEU 78 4.049 -4.441 14.278 591 HG LEU 78 HG LEU 78 6.652 -4.595 15.011 592 1HD1 LEU 78 HD11 LEU 78 6.611 -2.273 13.053 593 2HD1 LEU 78 HD12 LEU 78 7.894 -2.622 14.228 594 3HD1 LEU 78 HD13 LEU 78 7.571 -3.744 12.903 595 1HD2 LEU 78 HD21 LEU 78 5.064 -2.011 15.117 596 2HD2 LEU 78 HD22 LEU 78 4.878 -3.381 16.226 597 3HD2 LEU 78 HD23 LEU 78 6.401 -2.485 16.178 598 H LYS 79 H LYS 79 3.169 -7.035 14.300 599 HA LYS 79 HA LYS 79 1.746 -7.218 11.695 600 1HB LYS 79 HB2 LYS 79 2.669 -9.437 12.048 601 2HB LYS 79 HB3 LYS 79 2.084 -9.477 13.712 602 1HG LYS 79 HG2 LYS 79 0.746 -10.864 12.211 603 2HG LYS 79 HG3 LYS 79 -0.239 -9.602 12.951 604 1HD LYS 79 HD2 LYS 79 -0.302 -8.318 10.921 605 2HD LYS 79 HD3 LYS 79 0.965 -9.280 10.180 606 1HE LYS 79 HE2 LYS 79 -1.884 -10.196 10.782 607 2HE LYS 79 HE3 LYS 79 -1.219 -9.767 9.205 608 1HZ LYS 79 HZ1 LYS 79 -0.706 -12.181 10.772 609 2HZ LYS 79 HZ2 LYS 79 -1.008 -12.039 9.161 610 3HZ LYS 79 HZ3 LYS 79 0.448 -11.667 9.726 611 H ASP 80 H ASP 80 0.026 -5.995 11.944 612 HA ASP 80 HA ASP 80 -1.727 -4.899 12.815 613 1HB ASP 80 HB2 ASP 80 -2.587 -7.200 12.685 614 2HB ASP 80 HB3 ASP 80 -2.122 -7.478 14.362 615 H GLY 81 H GLY 81 0.669 -4.174 14.028 616 1HA GLY 81 HA2 GLY 81 0.856 -2.361 15.435 617 2HA GLY 81 HA3 GLY 81 -0.466 -2.943 16.440 618 H GLU 82 H GLU 82 1.572 -5.639 16.193 619 HA GLU 82 HA GLU 82 3.273 -4.716 18.460 620 1HB GLU 82 HB2 GLU 82 2.814 -6.678 19.648 621 2HB GLU 82 HB3 GLU 82 1.252 -6.062 19.091 622 1HG GLU 82 HG2 GLU 82 1.242 -7.758 17.271 623 2HG GLU 82 HG3 GLU 82 2.776 -8.403 17.860 624 H VAL 83 H VAL 83 5.377 -5.597 18.549 625 HA VAL 83 HA VAL 83 6.582 -6.406 16.055 626 HB VAL 83 HB VAL 83 7.640 -6.599 18.901 627 1HG1 VAL 83 HG11 VAL 83 8.897 -8.083 17.367 628 2HG1 VAL 83 HG12 VAL 83 9.103 -6.748 16.213 629 3HG1 VAL 83 HG13 VAL 83 9.874 -6.694 17.817 630 1HG2 VAL 83 HG21 VAL 83 7.152 -4.247 18.254 631 2HG2 VAL 83 HG22 VAL 83 8.886 -4.553 18.359 632 3HG2 VAL 83 HG23 VAL 83 8.114 -4.460 16.772 633 H VAL 84 H VAL 84 6.731 -8.285 15.182 634 HA VAL 84 HA VAL 84 6.187 -10.711 16.799 635 HB VAL 84 HB VAL 84 4.419 -9.979 15.166 636 1HG1 VAL 84 HG11 VAL 84 5.753 -9.189 13.303 637 2HG1 VAL 84 HG12 VAL 84 6.458 -10.802 13.065 638 3HG1 VAL 84 HG13 VAL 84 4.729 -10.526 12.783 639 1HG2 VAL 84 HG21 VAL 84 3.971 -12.244 14.357 640 2HG2 VAL 84 HG22 VAL 84 5.621 -12.733 14.821 641 3HG2 VAL 84 HG23 VAL 84 4.462 -12.205 16.056 642 H GLU 85 H GLU 85 8.540 -9.039 14.665 643 HA GLU 85 HA GLU 85 10.440 -11.120 15.435 644 1HB GLU 85 HB2 GLU 85 9.382 -12.156 13.511 645 2HB GLU 85 HB3 GLU 85 9.696 -10.758 12.502 646 1HG GLU 85 HG2 GLU 85 11.144 -12.542 11.915 647 2HG GLU 85 HG3 GLU 85 12.120 -11.255 12.595 648 H THR 86 H THR 86 12.701 -10.563 14.625 649 HA THR 86 HA THR 86 13.092 -7.681 14.038 650 HB THR 86 HB THR 86 14.581 -9.193 16.220 651 HG1 THR 86 HG1 THR 86 12.443 -8.887 16.853 652 1HG2 THR 86 HG21 THR 86 15.880 -7.306 15.385 653 2HG2 THR 86 HG22 THR 86 14.470 -6.232 15.500 654 3HG2 THR 86 HG23 THR 86 15.227 -6.884 16.970 655 H SER 87 H SER 87 15.104 -7.282 12.938 656 HA SER 87 HA SER 87 17.072 -9.414 12.589 657 1HB SER 87 HB2 SER 87 15.562 -8.166 10.249 658 2HB SER 87 HB3 SER 87 17.116 -8.999 10.082 659 HG SER 87 HG SER 87 15.094 -10.309 11.487 660 H VAL 88 H VAL 88 19.143 -8.453 11.792 661 HA VAL 88 HA VAL 88 19.288 -5.490 11.969 662 HB VAL 88 HB VAL 88 21.151 -7.419 13.399 663 1HG1 VAL 88 HG11 VAL 88 20.980 -4.373 13.441 664 2HG1 VAL 88 HG12 VAL 88 22.015 -5.347 14.503 665 3HG1 VAL 88 HG13 VAL 88 22.300 -5.351 12.765 666 1HG2 VAL 88 HG21 VAL 88 18.996 -5.633 14.597 667 2HG2 VAL 88 HG22 VAL 88 19.016 -7.412 14.607 668 3HG2 VAL 88 HG23 VAL 88 20.226 -6.517 15.520 669 H GLY 89 H GLY 89 20.883 -4.604 10.614 670 1HA GLY 89 HA2 GLY 89 22.639 -4.549 9.118 671 2HA GLY 89 HA3 GLY 89 22.872 -6.288 9.299 672 H PHE 90 H PHE 90 23.214 -5.803 6.881 673 HA PHE 90 HA PHE 90 21.008 -5.307 5.143 674 1HB PHE 90 HB2 PHE 90 23.384 -5.027 4.521 675 2HB PHE 90 HB3 PHE 90 23.644 -6.760 4.672 676 HD1 PHE 90 HD1 PHE 90 22.197 -4.075 2.596 677 HD2 PHE 90 HD2 PHE 90 22.777 -8.336 2.967 678 HE1 PHE 90 HE1 PHE 90 21.527 -4.380 0.223 679 HE2 PHE 90 HE2 PHE 90 22.097 -8.632 0.600 680 HZ PHE 90 HZ PHE 90 21.467 -6.656 -0.774 681 H LYS 91 H LYS 91 19.718 -6.756 3.946 682 HA LYS 91 HA LYS 91 20.079 -9.639 4.174 683 1HB LYS 91 HB2 LYS 91 17.673 -8.210 5.279 684 2HB LYS 91 HB3 LYS 91 17.408 -9.672 4.316 685 1HG LYS 91 HG2 LYS 91 19.048 -10.896 5.747 686 2HG LYS 91 HG3 LYS 91 19.144 -9.465 6.804 687 1HD LYS 91 HD2 LYS 91 16.750 -9.662 7.306 688 2HD LYS 91 HD3 LYS 91 16.615 -11.027 6.166 689 1HE LYS 91 HE2 LYS 91 18.267 -12.312 7.514 690 2HE LYS 91 HE3 LYS 91 18.385 -10.975 8.661 691 1HZ LYS 91 HZ1 LYS 91 16.900 -12.740 9.412 692 2HZ LYS 91 HZ2 LYS 91 16.089 -11.338 9.281 693 3HZ LYS 91 HZ3 LYS 91 15.905 -12.521 8.140 694 HA PRO 92 HA PRO 92 19.065 -8.668 -0.116 695 1HB PRO 92 HB2 PRO 92 18.872 -11.190 -1.172 696 2HB PRO 92 HB3 PRO 92 20.434 -10.450 -0.709 697 1HG PRO 92 HG2 PRO 92 18.736 -12.372 0.909 698 2HG PRO 92 HG3 PRO 92 20.497 -12.454 0.586 699 1HD PRO 92 HD2 PRO 92 19.493 -11.399 2.895 700 2HD PRO 92 HD3 PRO 92 20.953 -10.721 2.118 701 H LYS 93 H LYS 93 17.203 -8.913 -1.573 702 HA LYS 93 HA LYS 93 14.747 -8.688 -0.243 703 1HB LYS 93 HB2 LYS 93 13.708 -8.766 -2.492 704 2HB LYS 93 HB3 LYS 93 15.030 -7.622 -2.340 705 1HG LYS 93 HG2 LYS 93 16.541 -9.381 -3.448 706 2HG LYS 93 HG3 LYS 93 15.063 -10.314 -3.762 707 1HD LYS 93 HD2 LYS 93 14.132 -8.332 -4.980 708 2HD LYS 93 HD3 LYS 93 15.663 -7.463 -4.674 709 1HE LYS 93 HE2 LYS 93 16.917 -9.110 -5.962 710 2HE LYS 93 HE3 LYS 93 15.502 -10.161 -6.109 711 1HZ LYS 93 HZ1 LYS 93 15.946 -8.845 -8.118 712 2HZ LYS 93 HZ2 LYS 93 14.464 -8.531 -7.515 713 3HZ LYS 93 HZ3 LYS 93 15.677 -7.448 -7.297 714 H GLU 94 H GLU 94 16.186 -11.619 -1.578 715 HA GLU 94 HA GLU 94 13.826 -13.223 -1.445 716 1HB GLU 94 HB2 GLU 94 16.769 -13.978 -1.186 717 2HB GLU 94 HB3 GLU 94 15.440 -15.139 -1.319 718 1HG GLU 94 HG2 GLU 94 14.794 -14.138 -3.510 719 2HG GLU 94 HG3 GLU 94 16.166 -13.034 -3.404 720 H ALA 95 H ALA 95 16.468 -12.651 0.962 721 HA ALA 95 HA ALA 95 15.319 -14.268 3.006 722 1HB ALA 95 HB1 ALA 95 17.701 -13.582 3.007 723 2HB ALA 95 HB2 ALA 95 17.214 -11.886 3.252 724 3HB ALA 95 HB3 ALA 95 16.889 -13.095 4.505 725 H LEU 96 H LEU 96 15.036 -10.802 2.194 726 HA LEU 96 HA LEU 96 13.405 -10.084 4.408 727 1HB LEU 96 HB2 LEU 96 13.523 -8.927 1.613 728 2HB LEU 96 HB3 LEU 96 12.651 -8.202 2.959 729 HG LEU 96 HG LEU 96 15.668 -8.620 2.892 730 1HD1 LEU 96 HD11 LEU 96 14.808 -6.889 1.294 731 2HD1 LEU 96 HD12 LEU 96 14.096 -6.027 2.675 732 3HD1 LEU 96 HD13 LEU 96 15.855 -6.242 2.559 733 1HD2 LEU 96 HD21 LEU 96 15.644 -7.103 4.886 734 2HD2 LEU 96 HD22 LEU 96 13.878 -7.251 4.939 735 3HD2 LEU 96 HD23 LEU 96 14.917 -8.677 5.197 736 H GLN 97 H GLN 97 12.486 -11.282 1.144 737 HA GLN 97 HA GLN 97 9.684 -11.077 1.618 738 1HB GLN 97 HB2 GLN 97 11.399 -12.758 -0.248 739 2HB GLN 97 HB3 GLN 97 9.669 -13.092 -0.114 740 1HG GLN 97 HG2 GLN 97 9.048 -10.922 -0.816 741 2HG GLN 97 HG3 GLN 97 10.702 -10.306 -0.677 742 1HE2 GLN 97 HE22 GLN 97 12.305 -10.986 -2.162 743 2HE2 GLN 97 HE21 GLN 97 11.872 -11.554 -3.775 744 H GLU 98 H GLU 98 12.031 -13.664 2.380 745 HA GLU 98 HA GLU 98 10.016 -15.491 3.290 746 1HB GLU 98 HB2 GLU 98 12.991 -15.290 3.898 747 2HB GLU 98 HB3 GLU 98 11.954 -16.543 4.590 748 1HG GLU 98 HG2 GLU 98 11.290 -17.269 2.310 749 2HG GLU 98 HG3 GLU 98 12.382 -16.080 1.609 750 H LEU 99 H LEU 99 11.936 -12.995 4.959 751 HA LEU 99 HA LEU 99 11.046 -13.403 7.592 752 1HB LEU 99 HB2 LEU 99 13.018 -12.122 6.947 753 2HB LEU 99 HB3 LEU 99 12.038 -10.997 6.023 754 HG LEU 99 HG LEU 99 10.951 -10.207 8.069 755 1HD1 LEU 99 HD11 LEU 99 11.218 -12.132 9.551 756 2HD1 LEU 99 HD12 LEU 99 12.989 -12.045 9.419 757 3HD1 LEU 99 HD13 LEU 99 12.095 -10.765 10.261 758 1HD2 LEU 99 HD21 LEU 99 12.899 -8.909 8.865 759 2HD2 LEU 99 HD22 LEU 99 13.991 -10.045 8.043 760 3HD2 LEU 99 HD23 LEU 99 12.876 -9.037 7.098 761 H VAL 100 H VAL 100 9.626 -11.432 4.915 762 HA VAL 100 HA VAL 100 7.404 -10.456 6.435 763 HB VAL 100 HB VAL 100 7.889 -10.904 3.463 764 1HG1 VAL 100 HG11 VAL 100 5.476 -10.842 3.722 765 2HG1 VAL 100 HG12 VAL 100 5.582 -9.394 4.743 766 3HG1 VAL 100 HG13 VAL 100 6.030 -9.321 3.022 767 1HG2 VAL 100 HG21 VAL 100 7.807 -8.226 4.875 768 2HG2 VAL 100 HG22 VAL 100 9.298 -9.155 4.756 769 3HG2 VAL 100 HG23 VAL 100 8.487 -8.671 3.278 770 H ASN 101 H ASN 101 7.877 -13.252 4.285 771 HA ASN 101 HA ASN 101 5.237 -14.070 4.042 772 1HB ASN 101 HB2 ASN 101 7.203 -14.783 2.651 773 2HB ASN 101 HB3 ASN 101 7.692 -15.872 3.952 774 1HD2 ASN 101 HD22 ASN 101 5.768 -15.474 1.158 775 2HD2 ASN 101 HD21 ASN 101 4.835 -16.945 1.282 776 H LYS 102 H LYS 102 7.639 -15.036 6.497 777 HA LYS 102 HA LYS 102 6.042 -17.141 7.587 778 1HB LYS 102 HB2 LYS 102 7.604 -17.148 9.455 779 2HB LYS 102 HB3 LYS 102 8.432 -17.131 7.894 780 1HG LYS 102 HG2 LYS 102 8.959 -14.770 8.128 781 2HG LYS 102 HG3 LYS 102 7.985 -14.658 9.575 782 1HD LYS 102 HD2 LYS 102 10.550 -16.273 9.309 783 2HD LYS 102 HD3 LYS 102 10.412 -14.660 10.030 784 1HE LYS 102 HE2 LYS 102 8.788 -15.599 11.712 785 2HE LYS 102 HE3 LYS 102 9.100 -17.210 11.057 786 1HZ LYS 102 HZ1 LYS 102 10.472 -16.894 12.941 787 2HZ LYS 102 HZ2 LYS 102 11.478 -16.832 11.665 788 3HZ LYS 102 HZ3 LYS 102 11.049 -15.455 12.463 789 H HIS 103 H HIS 103 5.437 -13.817 7.796 790 HA HIS 103 HA HIS 103 3.708 -14.238 10.202 791 1HB HIS 103 HB2 HIS 103 5.179 -11.725 9.337 792 2HB HIS 103 HB3 HIS 103 4.046 -11.829 10.688 793 HD1 HIS 103 HD1 HIS 103 4.862 -13.959 12.543 794 HD2 HIS 103 HD2 HIS 103 7.648 -12.123 9.989 795 HE1 HIS 103 HE1 HIS 103 7.160 -14.472 13.509 796 H LEU 104 H LEU 104 3.445 -13.951 6.914 797 HA LEU 104 HA LEU 104 1.344 -12.045 6.598 798 1HB LEU 104 HB2 LEU 104 2.081 -14.599 5.139 799 2HB LEU 104 HB3 LEU 104 0.681 -13.637 4.674 800 HG LEU 104 HG LEU 104 3.545 -12.594 4.708 801 1HD1 LEU 104 HD11 LEU 104 1.777 -13.434 2.373 802 2HD1 LEU 104 HD12 LEU 104 3.423 -12.760 2.260 803 3HD1 LEU 104 HD13 LEU 104 3.160 -14.352 2.992 804 1HD2 LEU 104 HD21 LEU 104 1.953 -10.742 4.979 805 2HD2 LEU 104 HD22 LEU 104 2.599 -10.723 3.343 806 3HD2 LEU 104 HD23 LEU 104 0.964 -11.356 3.641 Start of MODEL 18 1 1H MET 1 H1 MET 1 -0.413 -1.996 1.734 2 2H MET 1 H2 MET 1 0.546 -2.221 0.424 3 3H MET 1 H3 MET 1 1.223 -1.820 1.846 4 HA MET 1 HA MET 1 -0.552 -0.189 0.180 5 1HB MET 1 HB2 MET 1 -0.827 0.067 2.716 6 2HB MET 1 HB3 MET 1 0.733 0.873 2.722 7 1HG MET 1 HG2 MET 1 -1.698 1.645 1.044 8 2HG MET 1 HG3 MET 1 -1.288 2.370 2.587 9 1HE MET 1 HE1 MET 1 1.676 4.703 1.866 10 2HE MET 1 HE2 MET 1 0.386 4.236 2.995 11 3HE MET 1 HE3 MET 1 1.709 3.102 2.631 12 H ALA 2 H ALA 2 2.512 0.876 1.795 13 HA ALA 2 HA ALA 2 4.146 0.611 -0.554 14 1HB ALA 2 HB1 ALA 2 2.687 2.551 -1.239 15 2HB ALA 2 HB2 ALA 2 3.201 3.410 0.232 16 3HB ALA 2 HB3 ALA 2 4.379 3.007 -1.031 17 H ILE 3 H ILE 3 6.167 2.334 0.023 18 HA ILE 3 HA ILE 3 6.973 1.841 2.794 19 HB ILE 3 HB ILE 3 8.179 3.512 0.560 20 1HG1 ILE 3 HG12 ILE 3 9.613 1.078 1.564 21 2HG1 ILE 3 HG13 ILE 3 8.119 0.733 0.708 22 1HG2 ILE 3 HG21 ILE 3 9.352 2.809 3.291 23 2HG2 ILE 3 HG22 ILE 3 10.288 3.476 1.934 24 3HG2 ILE 3 HG23 ILE 3 8.996 4.432 2.659 25 1HD1 ILE 3 HD11 ILE 3 10.357 2.469 -0.394 26 2HD1 ILE 3 HD12 ILE 3 10.056 0.767 -0.786 27 3HD1 ILE 3 HD13 ILE 3 8.844 1.998 -1.225 28 H VAL 4 H VAL 4 7.031 3.413 4.397 29 HA VAL 4 HA VAL 4 5.733 6.044 3.970 30 HB VAL 4 HB VAL 4 5.092 4.080 6.217 31 1HG1 VAL 4 HG11 VAL 4 3.786 6.714 5.413 32 2HG1 VAL 4 HG12 VAL 4 3.102 5.572 6.584 33 3HG1 VAL 4 HG13 VAL 4 4.629 6.346 6.943 34 1HG2 VAL 4 HG21 VAL 4 3.471 4.672 3.711 35 2HG2 VAL 4 HG22 VAL 4 4.136 3.099 4.216 36 3HG2 VAL 4 HG23 VAL 4 2.830 3.831 5.138 37 H LYS 5 H LYS 5 6.170 7.423 5.943 38 HA LYS 5 HA LYS 5 8.760 6.846 7.299 39 1HB LYS 5 HB2 LYS 5 9.204 8.411 5.514 40 2HB LYS 5 HB3 LYS 5 7.763 9.349 5.909 41 1HG LYS 5 HG2 LYS 5 9.606 10.626 6.538 42 2HG LYS 5 HG3 LYS 5 8.820 10.106 8.011 43 1HD LYS 5 HD2 LYS 5 11.026 8.302 7.115 44 2HD LYS 5 HD3 LYS 5 11.550 9.960 7.373 45 1HE LYS 5 HE2 LYS 5 10.121 8.216 9.415 46 2HE LYS 5 HE3 LYS 5 11.845 8.572 9.391 47 1HZ LYS 5 HZ1 LYS 5 10.423 9.943 10.926 48 2HZ LYS 5 HZ2 LYS 5 11.422 10.826 9.948 49 3HZ LYS 5 HZ3 LYS 5 9.821 10.719 9.638 50 H ALA 6 H ALA 6 8.628 7.259 9.424 51 HA ALA 6 HA ALA 6 6.107 8.388 10.576 52 1HB ALA 6 HB1 ALA 6 5.877 6.358 11.980 53 2HB ALA 6 HB2 ALA 6 5.824 5.950 10.263 54 3HB ALA 6 HB3 ALA 6 7.309 5.655 11.207 55 H THR 7 H THR 7 6.222 8.235 13.039 56 HA THR 7 HA THR 7 8.849 8.920 14.199 57 HB THR 7 HB THR 7 7.431 10.475 15.672 58 HG1 THR 7 HG1 THR 7 5.515 11.218 14.787 59 1HG2 THR 7 HG21 THR 7 7.532 12.377 14.093 60 2HG2 THR 7 HG22 THR 7 8.974 11.363 13.920 61 3HG2 THR 7 HG23 THR 7 7.666 11.259 12.717 62 H ASP 8 H ASP 8 8.612 8.693 16.665 63 HA ASP 8 HA ASP 8 7.926 6.259 17.549 64 1HB ASP 8 HB2 ASP 8 9.091 7.976 18.925 65 2HB ASP 8 HB3 ASP 8 7.576 8.846 19.119 66 H GLN 9 H GLN 9 5.618 8.968 17.326 67 HA GLN 9 HA GLN 9 3.542 7.384 18.626 68 1HB GLN 9 HB2 GLN 9 3.630 10.254 17.651 69 2HB GLN 9 HB3 GLN 9 2.213 9.517 18.404 70 1HG GLN 9 HG2 GLN 9 4.959 9.702 19.737 71 2HG GLN 9 HG3 GLN 9 3.644 10.840 19.995 72 1HE2 GLN 9 HE22 GLN 9 5.045 7.897 21.163 73 2HE2 GLN 9 HE21 GLN 9 3.686 7.411 22.151 74 H SER 10 H SER 10 4.249 8.665 15.368 75 HA SER 10 HA SER 10 1.729 7.859 14.216 76 1HB SER 10 HB2 SER 10 4.390 8.160 12.773 77 2HB SER 10 HB3 SER 10 2.763 8.287 12.090 78 HG SER 10 HG SER 10 4.239 10.090 13.645 79 H PHE 11 H PHE 11 4.825 6.241 14.775 80 HA PHE 11 HA PHE 11 4.778 4.084 13.078 81 1HB PHE 11 HB2 PHE 11 6.634 4.705 14.491 82 2HB PHE 11 HB3 PHE 11 5.717 4.390 15.955 83 HD1 PHE 11 HD1 PHE 11 7.916 3.026 13.432 84 HD2 PHE 11 HD2 PHE 11 5.152 1.994 16.587 85 HE1 PHE 11 HE1 PHE 11 8.991 0.816 13.668 86 HE2 PHE 11 HE2 PHE 11 6.200 -0.237 16.768 87 HZ PHE 11 HZ PHE 11 8.149 -0.822 15.340 88 H SER 12 H SER 12 3.168 4.239 16.342 89 HA SER 12 HA SER 12 2.333 1.565 16.284 90 1HB SER 12 HB2 SER 12 0.939 3.879 17.688 91 2HB SER 12 HB3 SER 12 0.948 2.171 18.173 92 HG SER 12 HG SER 12 2.453 3.427 19.367 93 H ALA 13 H ALA 13 0.729 4.459 14.973 94 HA ALA 13 HA ALA 13 -1.728 3.085 14.348 95 1HB ALA 13 HB1 ALA 13 -1.647 5.549 14.584 96 2HB ALA 13 HB2 ALA 13 -0.551 5.653 13.185 97 3HB ALA 13 HB3 ALA 13 -2.215 5.077 12.971 98 H GLU 14 H GLU 14 1.248 3.925 12.567 99 HA GLU 14 HA GLU 14 0.351 2.920 10.074 100 1HB GLU 14 HB2 GLU 14 3.164 3.359 11.168 101 2HB GLU 14 HB3 GLU 14 2.854 2.835 9.517 102 1HG GLU 14 HG2 GLU 14 1.946 5.453 10.764 103 2HG GLU 14 HG3 GLU 14 3.235 5.235 9.585 104 H THR 15 H THR 15 2.030 1.274 12.767 105 HA THR 15 HA THR 15 2.414 -1.128 11.243 106 HB THR 15 HB THR 15 3.264 -1.981 13.442 107 HG1 THR 15 HG1 THR 15 3.045 0.704 14.264 108 1HG2 THR 15 HG21 THR 15 4.848 -1.071 11.879 109 2HG2 THR 15 HG22 THR 15 4.409 0.599 12.269 110 3HG2 THR 15 HG23 THR 15 5.247 -0.391 13.468 111 H SER 16 H SER 16 -0.405 0.072 12.513 112 HA SER 16 HA SER 16 -1.376 -2.543 13.432 113 1HB SER 16 HB2 SER 16 -2.600 0.241 13.596 114 2HB SER 16 HB3 SER 16 -3.343 -1.238 14.231 115 HG SER 16 HG SER 16 -0.999 0.087 15.096 116 H GLU 17 H GLU 17 -0.766 -2.073 10.626 117 HA GLU 17 HA GLU 17 -3.424 -2.733 9.462 118 1HB GLU 17 HB2 GLU 17 -1.441 -0.755 8.289 119 2HB GLU 17 HB3 GLU 17 -2.848 -1.424 7.444 120 1HG GLU 17 HG2 GLU 17 -4.297 -0.509 9.323 121 2HG GLU 17 HG3 GLU 17 -2.874 0.375 9.893 122 H GLY 18 H GLY 18 -2.284 -4.858 10.101 123 1HA GLY 18 HA2 GLY 18 -1.951 -6.870 8.970 124 2HA GLY 18 HA3 GLY 18 -1.397 -5.992 7.540 125 H VAL 19 H VAL 19 0.415 -7.414 7.411 126 HA VAL 19 HA VAL 19 2.508 -7.334 9.467 127 HB VAL 19 HB VAL 19 2.581 -8.306 6.572 128 1HG1 VAL 19 HG11 VAL 19 4.713 -9.426 7.233 129 2HG1 VAL 19 HG12 VAL 19 4.863 -7.668 7.309 130 3HG1 VAL 19 HG13 VAL 19 4.652 -8.601 8.804 131 1HG2 VAL 19 HG21 VAL 19 2.624 -10.569 7.597 132 2HG2 VAL 19 HG22 VAL 19 2.428 -9.845 9.206 133 3HG2 VAL 19 HG23 VAL 19 1.131 -9.718 7.998 134 H VAL 20 H VAL 20 4.068 -5.817 9.583 135 HA VAL 20 HA VAL 20 4.449 -3.873 7.387 136 HB VAL 20 HB VAL 20 4.046 -3.183 10.334 137 1HG1 VAL 20 HG11 VAL 20 4.050 -0.810 9.505 138 2HG1 VAL 20 HG12 VAL 20 5.609 -1.599 9.289 139 3HG1 VAL 20 HG13 VAL 20 4.520 -1.400 7.901 140 1HG2 VAL 20 HG21 VAL 20 1.986 -1.896 9.339 141 2HG2 VAL 20 HG22 VAL 20 2.184 -2.929 7.930 142 3HG2 VAL 20 HG23 VAL 20 1.854 -3.643 9.516 143 H LEU 21 H LEU 21 6.641 -3.160 7.306 144 HA LEU 21 HA LEU 21 8.520 -4.549 9.175 145 1HB LEU 21 HB2 LEU 21 8.177 -5.682 6.968 146 2HB LEU 21 HB3 LEU 21 8.890 -4.268 6.173 147 HG LEU 21 HG LEU 21 10.226 -6.051 8.265 148 1HD1 LEU 21 HD11 LEU 21 11.553 -6.937 6.388 149 2HD1 LEU 21 HD12 LEU 21 9.830 -7.222 6.137 150 3HD1 LEU 21 HD13 LEU 21 10.645 -5.915 5.249 151 1HD2 LEU 21 HD21 LEU 21 12.352 -4.947 7.392 152 2HD2 LEU 21 HD22 LEU 21 11.315 -3.695 6.687 153 3HD2 LEU 21 HD23 LEU 21 11.344 -3.971 8.453 154 H ALA 22 H ALA 22 9.228 -2.941 10.396 155 HA ALA 22 HA ALA 22 9.433 -0.216 9.337 156 1HB ALA 22 HB1 ALA 22 8.456 -0.546 11.571 157 2HB ALA 22 HB2 ALA 22 9.934 -1.399 12.088 158 3HB ALA 22 HB3 ALA 22 10.000 0.335 11.680 159 H ASP 23 H ASP 23 11.400 0.885 9.249 160 HA ASP 23 HA ASP 23 13.918 -0.724 9.293 161 1HB ASP 23 HB2 ASP 23 13.317 -0.470 6.995 162 2HB ASP 23 HB3 ASP 23 12.886 1.228 7.219 163 H PHE 24 H PHE 24 14.672 -0.044 11.163 164 HA PHE 24 HA PHE 24 14.618 2.739 12.094 165 1HB PHE 24 HB2 PHE 24 15.762 0.132 13.191 166 2HB PHE 24 HB3 PHE 24 16.070 1.696 13.914 167 HD1 PHE 24 HD1 PHE 24 13.142 -0.435 12.787 168 HD2 PHE 24 HD2 PHE 24 14.646 2.432 15.640 169 HE1 PHE 24 HE1 PHE 24 10.964 -0.430 13.954 170 HE2 PHE 24 HE2 PHE 24 12.456 2.435 16.783 171 HZ PHE 24 HZ PHE 24 10.587 1.041 15.899 172 H TRP 25 H TRP 25 15.970 4.112 11.168 173 HA TRP 25 HA TRP 25 18.697 3.360 10.503 174 1HB TRP 25 HB2 TRP 25 18.440 3.159 8.300 175 2HB TRP 25 HB3 TRP 25 16.722 3.099 8.535 176 HD1 TRP 25 HD1 TRP 25 19.353 5.043 6.814 177 HE1 TRP 25 HE1 TRP 25 18.323 7.066 5.615 178 HE3 TRP 25 HE3 TRP 25 14.838 5.199 9.176 179 HZ2 TRP 25 HZ2 TRP 25 16.016 8.776 5.923 180 HZ3 TRP 25 HZ3 TRP 25 13.288 7.113 8.803 181 HH2 TRP 25 HH2 TRP 25 13.872 8.904 7.180 182 H ALA 26 H ALA 26 19.581 5.617 9.273 183 HA ALA 26 HA ALA 26 18.255 8.003 10.110 184 1HB ALA 26 HB1 ALA 26 19.474 7.591 12.220 185 2HB ALA 26 HB2 ALA 26 20.982 7.337 11.309 186 3HB ALA 26 HB3 ALA 26 20.209 8.944 11.352 187 HA PRO 27 HA PRO 27 20.254 8.746 6.240 188 1HB PRO 27 HB2 PRO 27 20.569 11.643 6.955 189 2HB PRO 27 HB3 PRO 27 19.864 10.884 5.485 190 1HG PRO 27 HG2 PRO 27 18.265 11.911 7.464 191 2HG PRO 27 HG3 PRO 27 17.837 10.389 6.621 192 1HD PRO 27 HD2 PRO 27 19.118 10.731 9.339 193 2HD PRO 27 HD3 PRO 27 17.830 9.603 8.812 194 H TRP 28 H TRP 28 22.067 9.640 9.131 195 HA TRP 28 HA TRP 28 24.521 10.191 7.717 196 1HB TRP 28 HB2 TRP 28 25.623 10.006 9.834 197 2HB TRP 28 HB3 TRP 28 24.153 10.936 10.032 198 HD1 TRP 28 HD1 TRP 28 22.384 10.045 11.716 199 HE1 TRP 28 HE1 TRP 28 22.330 8.206 13.480 200 HE3 TRP 28 HE3 TRP 28 26.556 7.438 10.281 201 HZ2 TRP 28 HZ2 TRP 28 23.819 5.797 14.104 202 HZ3 TRP 28 HZ3 TRP 28 27.188 5.354 11.456 203 HH2 TRP 28 HH2 TRP 28 25.826 4.517 13.360 204 H CYS 29 H CYS 29 22.753 7.297 8.352 205 HA CYS 29 HA CYS 29 24.732 5.410 8.870 206 1HB CYS 29 HB2 CYS 29 22.209 5.204 9.060 207 2HB CYS 29 HB3 CYS 29 22.149 5.078 7.331 208 H GLY 30 H GLY 30 25.888 3.963 7.580 209 1HA GLY 30 HA2 GLY 30 26.207 4.589 4.690 210 2HA GLY 30 HA3 GLY 30 27.301 3.630 5.696 211 HA PRO 31 HA PRO 31 25.481 -0.091 4.476 212 1HB PRO 31 HB2 PRO 31 24.506 -1.498 6.702 213 2HB PRO 31 HB3 PRO 31 26.205 -1.397 6.160 214 1HG PRO 31 HG2 PRO 31 24.826 0.243 8.288 215 2HG PRO 31 HG3 PRO 31 26.459 -0.487 8.323 216 1HD PRO 31 HD2 PRO 31 26.096 2.127 7.789 217 2HD PRO 31 HD3 PRO 31 27.329 1.193 6.895 218 H CYS 32 H CYS 32 23.177 1.758 6.453 219 HA CYS 32 HA CYS 32 20.777 0.502 5.686 220 1HB CYS 32 HB2 CYS 32 21.167 3.493 5.977 221 2HB CYS 32 HB3 CYS 32 19.689 2.576 6.182 222 H LYS 33 H LYS 33 22.883 2.741 3.848 223 HA LYS 33 HA LYS 33 20.953 3.339 1.814 224 1HB LYS 33 HB2 LYS 33 23.986 3.424 1.591 225 2HB LYS 33 HB3 LYS 33 22.831 4.315 0.611 226 1HG LYS 33 HG2 LYS 33 23.291 4.737 3.600 227 2HG LYS 33 HG3 LYS 33 24.008 5.693 2.313 228 1HD LYS 33 HD2 LYS 33 21.867 6.597 1.657 229 2HD LYS 33 HD3 LYS 33 20.992 5.467 2.691 230 1HE LYS 33 HE2 LYS 33 21.110 7.776 3.655 231 2HE LYS 33 HE3 LYS 33 21.765 6.514 4.705 232 1HZ LYS 33 HZ1 LYS 33 23.491 8.211 3.004 233 2HZ LYS 33 HZ2 LYS 33 23.116 8.548 4.568 234 3HZ LYS 33 HZ3 LYS 33 23.937 7.186 4.236 235 H MET 34 H MET 34 23.073 0.572 2.391 236 HA MET 34 HA MET 34 23.064 -0.383 -0.320 237 1HB MET 34 HB2 MET 34 23.422 -2.003 2.223 238 2HB MET 34 HB3 MET 34 23.894 -2.468 0.590 239 1HG MET 34 HG2 MET 34 25.501 -0.529 0.568 240 2HG MET 34 HG3 MET 34 25.104 -0.236 2.258 241 1HE MET 34 HE1 MET 34 24.889 -3.727 2.955 242 2HE MET 34 HE2 MET 34 26.400 -3.686 3.881 243 3HE MET 34 HE3 MET 34 25.215 -2.371 4.051 244 H ILE 35 H ILE 35 21.073 -1.015 2.602 245 HA ILE 35 HA ILE 35 19.525 -2.990 1.168 246 HB ILE 35 HB ILE 35 20.193 -3.287 3.509 247 1HG1 ILE 35 HG12 ILE 35 17.199 -3.398 3.018 248 2HG1 ILE 35 HG13 ILE 35 18.390 -4.587 2.488 249 1HG2 ILE 35 HG21 ILE 35 18.114 -1.175 4.187 250 2HG2 ILE 35 HG22 ILE 35 19.034 -2.168 5.340 251 3HG2 ILE 35 HG23 ILE 35 19.882 -1.007 4.338 252 1HD1 ILE 35 HD11 ILE 35 17.574 -3.927 5.345 253 2HD1 ILE 35 HD12 ILE 35 17.319 -5.436 4.458 254 3HD1 ILE 35 HD13 ILE 35 18.957 -4.965 4.935 255 H ALA 36 H ALA 36 19.123 0.463 1.834 256 HA ALA 36 HA ALA 36 16.421 0.792 1.637 257 1HB ALA 36 HB1 ALA 36 17.941 2.629 2.024 258 2HB ALA 36 HB2 ALA 36 18.565 2.534 0.367 259 3HB ALA 36 HB3 ALA 36 16.881 3.012 0.656 260 HA PRO 37 HA PRO 37 16.147 0.586 -3.110 261 1HB PRO 37 HB2 PRO 37 18.074 -0.732 -4.588 262 2HB PRO 37 HB3 PRO 37 18.061 1.032 -4.287 263 1HG PRO 37 HG2 PRO 37 19.589 -1.105 -2.775 264 2HG PRO 37 HG3 PRO 37 20.201 0.460 -3.402 265 1HD PRO 37 HD2 PRO 37 19.481 0.191 -0.821 266 2HD PRO 37 HD3 PRO 37 19.073 1.680 -1.715 267 H VAL 38 H VAL 38 17.654 -2.074 -1.297 268 HA VAL 38 HA VAL 38 16.288 -4.165 -2.702 269 HB VAL 38 HB VAL 38 17.310 -4.303 0.160 270 1HG1 VAL 38 HG11 VAL 38 15.946 -6.211 -0.641 271 2HG1 VAL 38 HG12 VAL 38 17.044 -6.414 -2.025 272 3HG1 VAL 38 HG13 VAL 38 17.628 -6.668 -0.355 273 1HG2 VAL 38 HG21 VAL 38 19.183 -3.464 -1.214 274 2HG2 VAL 38 HG22 VAL 38 19.443 -5.148 -0.773 275 3HG2 VAL 38 HG23 VAL 38 18.895 -4.740 -2.414 276 H LEU 39 H LEU 39 15.543 -2.168 0.229 277 HA LEU 39 HA LEU 39 13.050 -3.419 0.789 278 1HB LEU 39 HB2 LEU 39 14.071 -0.615 1.358 279 2HB LEU 39 HB3 LEU 39 12.524 -1.208 1.940 280 HG LEU 39 HG LEU 39 15.139 -2.619 2.558 281 1HD1 LEU 39 HD11 LEU 39 15.089 -1.493 4.753 282 2HD1 LEU 39 HD12 LEU 39 15.266 -0.337 3.425 283 3HD1 LEU 39 HD13 LEU 39 13.690 -0.526 4.227 284 1HD2 LEU 39 HD21 LEU 39 12.420 -2.734 3.940 285 2HD2 LEU 39 HD22 LEU 39 13.088 -3.992 2.881 286 3HD2 LEU 39 HD23 LEU 39 13.880 -3.627 4.417 287 H GLU 40 H GLU 40 13.883 -0.657 -1.379 288 HA GLU 40 HA GLU 40 11.208 -0.180 -2.215 289 1HB GLU 40 HB2 GLU 40 13.834 0.225 -3.687 290 2HB GLU 40 HB3 GLU 40 12.264 0.713 -4.327 291 1HG GLU 40 HG2 GLU 40 11.880 2.154 -2.357 292 2HG GLU 40 HG3 GLU 40 13.453 1.705 -1.703 293 H GLU 41 H GLU 41 13.620 -2.495 -3.514 294 HA GLU 41 HA GLU 41 11.894 -3.526 -5.542 295 1HB GLU 41 HB2 GLU 41 14.297 -4.690 -4.097 296 2HB GLU 41 HB3 GLU 41 13.402 -5.592 -5.325 297 1HG GLU 41 HG2 GLU 41 13.816 -3.851 -6.992 298 2HG GLU 41 HG3 GLU 41 14.638 -2.846 -5.805 299 H LEU 42 H LEU 42 12.301 -4.358 -2.116 300 HA LEU 42 HA LEU 42 10.560 -6.597 -2.076 301 1HB LEU 42 HB2 LEU 42 12.151 -5.219 -0.202 302 2HB LEU 42 HB3 LEU 42 10.536 -4.903 0.376 303 HG LEU 42 HG LEU 42 11.472 -6.817 1.477 304 1HD1 LEU 42 HD11 LEU 42 9.430 -7.872 -0.505 305 2HD1 LEU 42 HD12 LEU 42 9.789 -8.511 1.116 306 3HD1 LEU 42 HD13 LEU 42 9.038 -6.916 0.937 307 1HD2 LEU 42 HD21 LEU 42 11.826 -8.106 -1.273 308 2HD2 LEU 42 HD22 LEU 42 13.112 -7.451 -0.243 309 3HD2 LEU 42 HD23 LEU 42 12.152 -8.847 0.291 310 H ASP 43 H ASP 43 9.922 -3.114 -1.519 311 HA ASP 43 HA ASP 43 7.174 -3.319 -0.960 312 1HB ASP 43 HB2 ASP 43 8.607 -1.245 -0.752 313 2HB ASP 43 HB3 ASP 43 8.532 -1.080 -2.519 314 H GLN 44 H GLN 44 8.895 -3.032 -4.059 315 HA GLN 44 HA GLN 44 6.508 -2.892 -5.638 316 1HB GLN 44 HB2 GLN 44 9.415 -3.437 -6.312 317 2HB GLN 44 HB3 GLN 44 8.151 -3.291 -7.542 318 1HG GLN 44 HG2 GLN 44 7.637 -1.024 -6.910 319 2HG GLN 44 HG3 GLN 44 8.634 -1.107 -5.458 320 1HE2 GLN 44 HE22 GLN 44 10.944 -1.227 -5.683 321 2HE2 GLN 44 HE21 GLN 44 11.755 -0.618 -7.127 322 H GLU 45 H GLU 45 7.933 -5.585 -4.065 323 HA GLU 45 HA GLU 45 6.706 -7.560 -5.911 324 1HB GLU 45 HB2 GLU 45 8.823 -7.685 -3.741 325 2HB GLU 45 HB3 GLU 45 8.092 -9.137 -4.425 326 1HG GLU 45 HG2 GLU 45 9.483 -7.015 -6.105 327 2HG GLU 45 HG3 GLU 45 10.302 -8.430 -5.446 328 H MET 46 H MET 46 6.584 -6.349 -2.574 329 HA MET 46 HA MET 46 4.424 -8.331 -1.988 330 1HB MET 46 HB2 MET 46 6.460 -7.097 -0.101 331 2HB MET 46 HB3 MET 46 5.281 -8.346 0.289 332 1HG MET 46 HG2 MET 46 7.642 -8.581 -1.619 333 2HG MET 46 HG3 MET 46 7.510 -9.310 -0.025 334 1HE MET 46 HE1 MET 46 6.393 -11.482 0.516 335 2HE MET 46 HE2 MET 46 4.821 -10.664 0.228 336 3HE MET 46 HE3 MET 46 5.141 -12.266 -0.480 337 H GLY 47 H GLY 47 4.825 -4.981 -2.422 338 1HA GLY 47 HA2 GLY 47 3.572 -3.816 -0.243 339 2HA GLY 47 HA3 GLY 47 3.543 -3.195 -1.899 340 H ASP 48 H ASP 48 2.024 -5.962 -2.410 341 HA ASP 48 HA ASP 48 -0.674 -4.957 -2.309 342 1HB ASP 48 HB2 ASP 48 0.056 -6.548 -4.021 343 2HB ASP 48 HB3 ASP 48 0.455 -7.740 -2.780 344 H LYS 49 H LYS 49 1.380 -6.874 -0.183 345 HA LYS 49 HA LYS 49 -0.804 -7.136 1.843 346 1HB LYS 49 HB2 LYS 49 1.667 -8.852 1.300 347 2HB LYS 49 HB3 LYS 49 0.560 -9.101 2.638 348 1HG LYS 49 HG2 LYS 49 -0.343 -9.257 -0.271 349 2HG LYS 49 HG3 LYS 49 0.374 -10.608 0.588 350 1HD LYS 49 HD2 LYS 49 -1.873 -11.060 0.863 351 2HD LYS 49 HD3 LYS 49 -1.430 -10.314 2.383 352 1HE LYS 49 HE2 LYS 49 -3.486 -9.345 1.892 353 2HE LYS 49 HE3 LYS 49 -2.352 -8.099 1.382 354 1HZ LYS 49 HZ1 LYS 49 -3.714 -10.028 -0.405 355 2HZ LYS 49 HZ2 LYS 49 -4.067 -8.445 -0.254 356 3HZ LYS 49 HZ3 LYS 49 -2.646 -8.894 -0.921 357 H LEU 50 H LEU 50 2.445 -5.987 1.170 358 HA LEU 50 HA LEU 50 3.060 -5.732 4.036 359 1HB LEU 50 HB2 LEU 50 4.593 -6.858 2.410 360 2HB LEU 50 HB3 LEU 50 4.728 -5.345 1.515 361 HG LEU 50 HG LEU 50 5.868 -4.279 3.428 362 1HD1 LEU 50 HD11 LEU 50 5.646 -7.027 4.744 363 2HD1 LEU 50 HD12 LEU 50 6.640 -5.675 5.327 364 3HD1 LEU 50 HD13 LEU 50 4.887 -5.533 5.327 365 1HD2 LEU 50 HD21 LEU 50 7.064 -6.918 2.537 366 2HD2 LEU 50 HD22 LEU 50 7.189 -5.353 1.706 367 3HD2 LEU 50 HD23 LEU 50 7.961 -5.574 3.283 368 H LYS 51 H LYS 51 4.009 -3.791 4.875 369 HA LYS 51 HA LYS 51 3.867 -1.301 3.306 370 1HB LYS 51 HB2 LYS 51 1.843 -1.305 4.807 371 2HB LYS 51 HB3 LYS 51 2.894 -1.634 6.187 372 1HG LYS 51 HG2 LYS 51 4.111 0.571 5.617 373 2HG LYS 51 HG3 LYS 51 2.793 0.897 4.493 374 1HD LYS 51 HD2 LYS 51 2.508 0.399 7.492 375 2HD LYS 51 HD3 LYS 51 2.589 1.989 6.729 376 1HE LYS 51 HE2 LYS 51 0.526 1.460 5.418 377 2HE LYS 51 HE3 LYS 51 0.412 -0.102 6.256 378 1HZ LYS 51 HZ1 LYS 51 0.231 1.107 8.335 379 2HZ LYS 51 HZ2 LYS 51 0.359 2.557 7.562 380 3HZ LYS 51 HZ3 LYS 51 -0.964 1.608 7.315 381 H ILE 52 H ILE 52 5.732 -0.005 3.890 382 HA ILE 52 HA ILE 52 7.638 -1.339 5.754 383 HB ILE 52 HB ILE 52 8.239 -0.018 3.097 384 1HG1 ILE 52 HG12 ILE 52 8.566 -2.895 4.057 385 2HG1 ILE 52 HG13 ILE 52 7.403 -2.310 2.868 386 1HG2 ILE 52 HG21 ILE 52 10.226 -1.142 5.120 387 2HG2 ILE 52 HG22 ILE 52 10.618 -0.458 3.528 388 3HG2 ILE 52 HG23 ILE 52 9.971 0.586 4.778 389 1HD1 ILE 52 HD11 ILE 52 10.401 -2.529 2.517 390 2HD1 ILE 52 HD12 ILE 52 9.114 -3.363 1.635 391 3HD1 ILE 52 HD13 ILE 52 9.351 -1.620 1.405 392 H VAL 53 H VAL 53 8.618 0.116 7.227 393 HA VAL 53 HA VAL 53 7.560 2.930 7.112 394 HB VAL 53 HB VAL 53 7.331 0.927 9.396 395 1HG1 VAL 53 HG11 VAL 53 7.936 3.132 10.357 396 2HG1 VAL 53 HG12 VAL 53 6.689 3.917 9.360 397 3HG1 VAL 53 HG13 VAL 53 6.233 2.785 10.656 398 1HG2 VAL 53 HG21 VAL 53 4.927 1.414 9.213 399 2HG2 VAL 53 HG22 VAL 53 5.229 2.489 7.837 400 3HG2 VAL 53 HG23 VAL 53 5.552 0.754 7.699 401 H LYS 54 H LYS 54 9.450 4.005 6.667 402 HA LYS 54 HA LYS 54 11.954 3.249 8.004 403 1HB LYS 54 HB2 LYS 54 11.324 5.760 6.393 404 2HB LYS 54 HB3 LYS 54 12.928 5.162 6.849 405 1HG LYS 54 HG2 LYS 54 12.495 3.079 5.516 406 2HG LYS 54 HG3 LYS 54 10.990 3.796 4.932 407 1HD LYS 54 HD2 LYS 54 13.783 4.948 4.520 408 2HD LYS 54 HD3 LYS 54 12.851 4.033 3.325 409 1HE LYS 54 HE2 LYS 54 11.064 5.781 3.393 410 2HE LYS 54 HE3 LYS 54 12.035 6.714 4.540 411 1HZ LYS 54 HZ1 LYS 54 12.339 7.506 2.283 412 2HZ LYS 54 HZ2 LYS 54 13.750 6.910 2.834 413 3HZ LYS 54 HZ3 LYS 54 12.856 6.051 1.770 414 H ILE 55 H ILE 55 12.724 4.127 9.918 415 HA ILE 55 HA ILE 55 11.416 6.557 10.968 416 HB ILE 55 HB ILE 55 10.149 4.779 11.929 417 1HG1 ILE 55 HG12 ILE 55 12.022 5.957 14.021 418 2HG1 ILE 55 HG13 ILE 55 10.731 6.851 13.209 419 1HG2 ILE 55 HG21 ILE 55 11.809 2.914 11.798 420 2HG2 ILE 55 HG22 ILE 55 12.684 3.637 13.166 421 3HG2 ILE 55 HG23 ILE 55 11.029 3.037 13.370 422 1HD1 ILE 55 HD11 ILE 55 10.355 4.438 15.018 423 2HD1 ILE 55 HD12 ILE 55 9.957 6.123 15.384 424 3HD1 ILE 55 HD13 ILE 55 9.052 5.264 14.125 425 H ASP 56 H ASP 56 12.789 7.964 11.760 426 HA ASP 56 HA ASP 56 15.637 7.427 11.334 427 1HB ASP 56 HB2 ASP 56 14.652 9.371 10.287 428 2HB ASP 56 HB3 ASP 56 14.117 9.992 11.853 429 H VAL 57 H VAL 57 16.604 6.494 13.097 430 HA VAL 57 HA VAL 57 15.547 6.658 15.723 431 HB VAL 57 HB VAL 57 17.520 5.469 16.447 432 1HG1 VAL 57 HG11 VAL 57 16.677 4.408 13.719 433 2HG1 VAL 57 HG12 VAL 57 17.264 3.484 15.118 434 3HG1 VAL 57 HG13 VAL 57 15.693 4.312 15.190 435 1HG2 VAL 57 HG21 VAL 57 19.371 4.867 14.955 436 2HG2 VAL 57 HG22 VAL 57 18.711 5.900 13.674 437 3HG2 VAL 57 HG23 VAL 57 19.310 6.617 15.182 438 H ASP 58 H ASP 58 17.628 8.936 14.042 439 HA ASP 58 HA ASP 58 18.971 9.977 16.369 440 1HB ASP 58 HB2 ASP 58 19.752 10.356 14.045 441 2HB ASP 58 HB3 ASP 58 18.317 11.347 13.738 442 H GLU 59 H GLU 59 15.735 10.345 15.106 443 HA GLU 59 HA GLU 59 15.163 12.543 17.056 444 1HB GLU 59 HB2 GLU 59 13.826 11.879 14.404 445 2HB GLU 59 HB3 GLU 59 13.281 13.116 15.548 446 1HG GLU 59 HG2 GLU 59 15.576 14.195 15.338 447 2HG GLU 59 HG3 GLU 59 15.893 13.100 13.989 448 H ASN 60 H ASN 60 14.942 9.286 16.813 449 HA ASN 60 HA ASN 60 12.355 9.076 18.274 450 1HB ASN 60 HB2 ASN 60 13.110 7.430 15.824 451 2HB ASN 60 HB3 ASN 60 11.752 7.108 16.890 452 1HD2 ASN 60 HD21 ASN 60 12.911 9.153 14.308 453 2HD2 ASN 60 HD22 ASN 60 11.418 10.057 14.086 454 H GLN 61 H GLN 61 14.792 9.173 19.443 455 HA GLN 61 HA GLN 61 16.256 6.775 19.615 456 1HB GLN 61 HB2 GLN 61 16.094 8.583 22.018 457 2HB GLN 61 HB3 GLN 61 17.462 7.747 21.322 458 1HG GLN 61 HG2 GLN 61 17.931 9.996 20.922 459 2HG GLN 61 HG3 GLN 61 17.335 9.433 19.371 460 1HE2 GLN 61 HE22 GLN 61 16.830 11.758 18.848 461 2HE2 GLN 61 HE21 GLN 61 15.449 12.522 19.605 462 H GLU 62 H GLU 62 13.402 7.953 21.388 463 HA GLU 62 HA GLU 62 13.323 5.993 23.422 464 1HB GLU 62 HB2 GLU 62 11.077 7.543 22.049 465 2HB GLU 62 HB3 GLU 62 10.873 6.591 23.520 466 1HG GLU 62 HG2 GLU 62 12.705 9.014 23.231 467 2HG GLU 62 HG3 GLU 62 11.108 9.017 23.963 468 H THR 63 H THR 63 11.866 5.983 20.093 469 HA THR 63 HA THR 63 10.503 3.533 20.425 470 HB THR 63 HB THR 63 11.571 4.429 17.779 471 HG1 THR 63 HG1 THR 63 9.557 5.758 19.269 472 1HG2 THR 63 HG21 THR 63 8.796 3.531 18.647 473 2HG2 THR 63 HG22 THR 63 9.271 3.960 16.998 474 3HG2 THR 63 HG23 THR 63 9.994 2.552 17.780 475 H ALA 64 H ALA 64 13.760 4.317 19.145 476 HA ALA 64 HA ALA 64 14.549 1.661 18.491 477 1HB ALA 64 HB1 ALA 64 15.824 3.652 17.777 478 2HB ALA 64 HB2 ALA 64 16.204 4.053 19.464 479 3HB ALA 64 HB3 ALA 64 16.879 2.596 18.733 480 H GLY 65 H GLY 65 14.972 3.514 21.562 481 1HA GLY 65 HA2 GLY 65 16.126 1.455 23.106 482 2HA GLY 65 HA3 GLY 65 15.154 2.807 23.720 483 H LYS 66 H LYS 66 12.745 2.004 22.198 484 HA LYS 66 HA LYS 66 11.411 0.505 24.110 485 1HB LYS 66 HB2 LYS 66 10.680 2.067 22.059 486 2HB LYS 66 HB3 LYS 66 10.465 0.539 21.237 487 1HG LYS 66 HG2 LYS 66 8.626 -0.047 22.571 488 2HG LYS 66 HG3 LYS 66 9.228 0.845 23.970 489 1HD LYS 66 HD2 LYS 66 7.277 1.978 23.184 490 2HD LYS 66 HD3 LYS 66 8.685 2.999 22.882 491 1HE LYS 66 HE2 LYS 66 8.664 2.156 20.472 492 2HE LYS 66 HE3 LYS 66 7.167 1.305 20.854 493 1HZ LYS 66 HZ1 LYS 66 6.222 3.522 21.459 494 2HZ LYS 66 HZ2 LYS 66 7.562 4.259 20.848 495 3HZ LYS 66 HZ3 LYS 66 6.595 3.377 19.882 496 H TYR 67 H TYR 67 13.196 -0.645 21.284 497 HA TYR 67 HA TYR 67 12.616 -3.453 22.158 498 1HB TYR 67 HB2 TYR 67 13.520 -2.817 19.380 499 2HB TYR 67 HB3 TYR 67 12.583 -4.185 19.958 500 HD1 TYR 67 HD1 TYR 67 12.535 -0.913 18.463 501 HD2 TYR 67 HD2 TYR 67 10.110 -3.681 20.719 502 HE1 TYR 67 HE1 TYR 67 10.572 0.434 17.971 503 HE2 TYR 67 HE2 TYR 67 8.092 -2.349 20.184 504 HH TYR 67 HH TYR 67 7.264 -0.445 19.146 505 H GLY 68 H GLY 68 14.912 -1.321 22.738 506 1HA GLY 68 HA2 GLY 68 17.137 -1.417 23.193 507 2HA GLY 68 HA3 GLY 68 17.041 -3.180 23.046 508 H VAL 69 H VAL 69 16.236 -0.935 20.380 509 HA VAL 69 HA VAL 69 18.258 -2.054 18.601 510 HB VAL 69 HB VAL 69 16.528 0.442 18.349 511 1HG1 VAL 69 HG11 VAL 69 18.146 -1.074 16.276 512 2HG1 VAL 69 HG12 VAL 69 16.960 0.198 15.904 513 3HG1 VAL 69 HG13 VAL 69 18.410 0.588 16.830 514 1HG2 VAL 69 HG21 VAL 69 16.007 -2.375 17.341 515 2HG2 VAL 69 HG22 VAL 69 15.052 -1.452 18.519 516 3HG2 VAL 69 HG23 VAL 69 15.093 -0.932 16.840 517 H MET 70 H MET 70 20.357 -1.462 18.650 518 HA MET 70 HA MET 70 21.164 1.213 19.701 519 1HB MET 70 HB2 MET 70 22.338 -1.513 20.390 520 2HB MET 70 HB3 MET 70 23.108 0.030 20.775 521 1HG MET 70 HG2 MET 70 21.148 0.693 22.136 522 2HG MET 70 HG3 MET 70 20.384 -0.852 21.778 523 1HE MET 70 HE1 MET 70 24.189 0.013 22.825 524 2HE MET 70 HE2 MET 70 23.115 1.055 23.787 525 3HE MET 70 HE3 MET 70 24.034 -0.247 24.573 526 H SER 71 H SER 71 21.035 -0.596 17.000 527 HA SER 71 HA SER 71 23.386 0.597 15.781 528 1HB SER 71 HB2 SER 71 22.745 -2.385 15.552 529 2HB SER 71 HB3 SER 71 24.050 -1.527 14.720 530 HG SER 71 HG SER 71 24.780 -2.661 16.575 531 H ILE 72 H ILE 72 23.112 0.454 13.342 532 HA ILE 72 HA ILE 72 20.433 -0.208 12.412 533 HB ILE 72 HB ILE 72 20.238 1.931 11.174 534 1HG1 ILE 72 HG12 ILE 72 22.367 3.028 13.066 535 2HG1 ILE 72 HG13 ILE 72 22.642 2.659 11.361 536 1HG2 ILE 72 HG21 ILE 72 19.181 3.135 12.966 537 2HG2 ILE 72 HG22 ILE 72 19.011 1.417 13.317 538 3HG2 ILE 72 HG23 ILE 72 20.227 2.376 14.183 539 1HD1 ILE 72 HD11 ILE 72 22.228 5.034 11.592 540 2HD1 ILE 72 HD12 ILE 72 20.876 4.281 10.727 541 3HD1 ILE 72 HD13 ILE 72 20.697 4.747 12.433 542 HA PRO 73 HA PRO 73 19.504 0.247 10.006 543 1HB PRO 73 HB2 PRO 73 18.982 -1.717 8.179 544 2HB PRO 73 HB3 PRO 73 19.681 -0.134 7.739 545 1HG PRO 73 HG2 PRO 73 21.124 -2.759 8.191 546 2HG PRO 73 HG3 PRO 73 21.353 -1.590 6.855 547 1HD PRO 73 HD2 PRO 73 22.991 -1.653 9.049 548 2HD PRO 73 HD3 PRO 73 22.572 -0.120 8.234 549 H THR 74 H THR 74 17.872 -0.696 11.157 550 HA THR 74 HA THR 74 18.117 -3.571 11.891 551 HB THR 74 HB THR 74 17.572 -1.262 13.797 552 HG1 THR 74 HG1 THR 74 19.560 -1.626 14.284 553 1HG2 THR 74 HG21 THR 74 17.363 -3.129 15.525 554 2HG2 THR 74 HG22 THR 74 15.990 -2.967 14.422 555 3HG2 THR 74 HG23 THR 74 17.176 -4.263 14.178 556 H LEU 75 H LEU 75 16.127 -4.630 11.990 557 HA LEU 75 HA LEU 75 13.936 -3.175 10.602 558 1HB LEU 75 HB2 LEU 75 14.919 -6.010 10.173 559 2HB LEU 75 HB3 LEU 75 13.550 -5.266 9.364 560 HG LEU 75 HG LEU 75 16.478 -4.453 9.067 561 1HD1 LEU 75 HD11 LEU 75 14.595 -5.859 7.130 562 2HD1 LEU 75 HD12 LEU 75 16.283 -5.398 6.818 563 3HD1 LEU 75 HD13 LEU 75 15.919 -6.624 8.035 564 1HD2 LEU 75 HD21 LEU 75 15.136 -2.474 8.730 565 2HD2 LEU 75 HD22 LEU 75 15.696 -3.047 7.162 566 3HD2 LEU 75 HD23 LEU 75 14.016 -3.338 7.661 567 H LEU 76 H LEU 76 11.978 -3.417 11.603 568 HA LEU 76 HA LEU 76 11.693 -5.555 13.716 569 1HB LEU 76 HB2 LEU 76 10.797 -2.649 13.712 570 2HB LEU 76 HB3 LEU 76 9.924 -3.865 14.613 571 HG LEU 76 HG LEU 76 11.513 -2.467 15.976 572 1HD1 LEU 76 HD11 LEU 76 10.683 -4.614 16.793 573 2HD1 LEU 76 HD12 LEU 76 11.981 -5.484 15.952 574 3HD1 LEU 76 HD13 LEU 76 12.363 -4.384 17.291 575 1HD2 LEU 76 HD21 LEU 76 13.861 -2.861 15.953 576 2HD2 LEU 76 HD22 LEU 76 13.728 -4.135 14.732 577 3HD2 LEU 76 HD23 LEU 76 13.395 -2.450 14.293 578 H VAL 77 H VAL 77 10.142 -6.949 13.106 579 HA VAL 77 HA VAL 77 8.378 -6.164 10.823 580 HB VAL 77 HB VAL 77 8.664 -8.942 11.978 581 1HG1 VAL 77 HG11 VAL 77 6.707 -8.468 10.528 582 2HG1 VAL 77 HG12 VAL 77 7.796 -7.936 9.233 583 3HG1 VAL 77 HG13 VAL 77 7.807 -9.629 9.773 584 1HG2 VAL 77 HG21 VAL 77 10.190 -9.539 10.157 585 2HG2 VAL 77 HG22 VAL 77 10.327 -7.835 9.678 586 3HG2 VAL 77 HG23 VAL 77 10.949 -8.386 11.251 587 H LEU 78 H LEU 78 6.266 -5.765 11.409 588 HA LEU 78 HA LEU 78 5.403 -6.535 14.144 589 1HB LEU 78 HB2 LEU 78 4.774 -3.913 12.707 590 2HB LEU 78 HB3 LEU 78 4.083 -4.465 14.224 591 HG LEU 78 HG LEU 78 6.736 -4.641 14.859 592 1HD1 LEU 78 HD11 LEU 78 7.963 -2.733 14.032 593 2HD1 LEU 78 HD12 LEU 78 7.429 -3.696 12.654 594 3HD1 LEU 78 HD13 LEU 78 6.588 -2.202 13.054 595 1HD2 LEU 78 HD21 LEU 78 6.488 -2.567 16.091 596 2HD2 LEU 78 HD22 LEU 78 5.082 -2.105 15.106 597 3HD2 LEU 78 HD23 LEU 78 4.996 -3.504 16.187 598 H LYS 79 H LYS 79 3.136 -6.944 14.288 599 HA LYS 79 HA LYS 79 1.687 -7.104 11.719 600 1HB LYS 79 HB2 LYS 79 2.668 -9.334 12.042 601 2HB LYS 79 HB3 LYS 79 1.899 -9.465 13.639 602 1HG LYS 79 HG2 LYS 79 -0.313 -9.357 12.595 603 2HG LYS 79 HG3 LYS 79 0.424 -9.032 11.009 604 1HD LYS 79 HD2 LYS 79 1.483 -11.263 11.039 605 2HD LYS 79 HD3 LYS 79 0.726 -11.607 12.612 606 1HE LYS 79 HE2 LYS 79 -1.511 -11.380 11.625 607 2HE LYS 79 HE3 LYS 79 -0.817 -10.868 10.082 608 1HZ LYS 79 HZ1 LYS 79 0.171 -13.044 9.838 609 2HZ LYS 79 HZ2 LYS 79 -0.444 -13.549 11.280 610 3HZ LYS 79 HZ3 LYS 79 -1.445 -13.194 10.041 611 H ASP 80 H ASP 80 -0.094 -6.012 12.002 612 HA ASP 80 HA ASP 80 -1.845 -4.953 12.906 613 1HB ASP 80 HB2 ASP 80 -2.639 -7.280 12.835 614 2HB ASP 80 HB3 ASP 80 -2.127 -7.515 14.507 615 H GLY 81 H GLY 81 0.556 -4.150 14.044 616 1HA GLY 81 HA2 GLY 81 0.723 -2.301 15.420 617 2HA GLY 81 HA3 GLY 81 -0.527 -2.923 16.488 618 H GLU 82 H GLU 82 1.550 -5.563 16.209 619 HA GLU 82 HA GLU 82 3.341 -4.575 18.370 620 1HB GLU 82 HB2 GLU 82 2.868 -6.489 19.658 621 2HB GLU 82 HB3 GLU 82 1.316 -5.800 19.152 622 1HG GLU 82 HG2 GLU 82 1.089 -7.540 17.417 623 2HG GLU 82 HG3 GLU 82 2.635 -8.244 17.900 624 H VAL 83 H VAL 83 5.376 -5.688 18.553 625 HA VAL 83 HA VAL 83 6.566 -6.370 16.033 626 HB VAL 83 HB VAL 83 7.627 -6.842 18.843 627 1HG1 VAL 83 HG11 VAL 83 9.060 -6.656 16.141 628 2HG1 VAL 83 HG12 VAL 83 9.851 -6.781 17.728 629 3HG1 VAL 83 HG13 VAL 83 8.879 -8.121 17.128 630 1HG2 VAL 83 HG21 VAL 83 8.019 -4.461 16.967 631 2HG2 VAL 83 HG22 VAL 83 7.127 -4.437 18.505 632 3HG2 VAL 83 HG23 VAL 83 8.864 -4.723 18.502 633 H VAL 84 H VAL 84 6.724 -8.168 15.022 634 HA VAL 84 HA VAL 84 5.918 -10.702 16.325 635 HB VAL 84 HB VAL 84 4.362 -9.502 14.631 636 1HG1 VAL 84 HG11 VAL 84 6.308 -10.736 12.651 637 2HG1 VAL 84 HG12 VAL 84 4.701 -10.116 12.265 638 3HG1 VAL 84 HG13 VAL 84 5.943 -9.012 12.858 639 1HG2 VAL 84 HG21 VAL 84 5.018 -12.434 14.351 640 2HG2 VAL 84 HG22 VAL 84 3.884 -11.683 15.487 641 3HG2 VAL 84 HG23 VAL 84 3.539 -11.633 13.752 642 H GLU 85 H GLU 85 8.469 -8.987 14.509 643 HA GLU 85 HA GLU 85 10.238 -11.201 15.080 644 1HB GLU 85 HB2 GLU 85 9.050 -11.093 12.419 645 2HB GLU 85 HB3 GLU 85 10.761 -10.763 12.290 646 1HG GLU 85 HG2 GLU 85 9.607 -13.203 13.701 647 2HG GLU 85 HG3 GLU 85 10.094 -13.142 12.010 648 H THR 86 H THR 86 12.550 -10.594 14.199 649 HA THR 86 HA THR 86 12.941 -7.699 13.788 650 HB THR 86 HB THR 86 14.252 -9.260 16.049 651 HG1 THR 86 HG1 THR 86 11.888 -8.039 15.914 652 1HG2 THR 86 HG21 THR 86 15.728 -7.462 15.329 653 2HG2 THR 86 HG22 THR 86 14.386 -6.299 15.334 654 3HG2 THR 86 HG23 THR 86 14.976 -6.997 16.858 655 H SER 87 H SER 87 14.997 -7.238 12.830 656 HA SER 87 HA SER 87 16.968 -9.364 12.453 657 1HB SER 87 HB2 SER 87 15.380 -8.143 10.172 658 2HB SER 87 HB3 SER 87 17.069 -8.622 9.932 659 HG SER 87 HG SER 87 15.129 -10.335 11.087 660 H VAL 88 H VAL 88 19.049 -8.436 11.757 661 HA VAL 88 HA VAL 88 19.291 -5.496 12.120 662 HB VAL 88 HB VAL 88 21.006 -7.574 13.527 663 1HG1 VAL 88 HG11 VAL 88 22.236 -5.500 13.055 664 2HG1 VAL 88 HG12 VAL 88 20.924 -4.534 13.764 665 3HG1 VAL 88 HG13 VAL 88 21.896 -5.616 14.781 666 1HG2 VAL 88 HG21 VAL 88 18.815 -7.573 14.629 667 2HG2 VAL 88 HG22 VAL 88 19.998 -6.763 15.651 668 3HG2 VAL 88 HG23 VAL 88 18.838 -5.798 14.718 669 H GLY 89 H GLY 89 20.896 -4.608 10.799 670 1HA GLY 89 HA2 GLY 89 22.647 -4.523 9.305 671 2HA GLY 89 HA3 GLY 89 22.927 -6.255 9.507 672 H PHE 90 H PHE 90 23.257 -5.865 7.092 673 HA PHE 90 HA PHE 90 21.062 -5.372 5.342 674 1HB PHE 90 HB2 PHE 90 23.455 -5.133 4.741 675 2HB PHE 90 HB3 PHE 90 23.674 -6.872 4.885 676 HD1 PHE 90 HD1 PHE 90 22.226 -4.146 2.844 677 HD2 PHE 90 HD2 PHE 90 22.844 -8.406 3.142 678 HE1 PHE 90 HE1 PHE 90 21.546 -4.417 0.469 679 HE2 PHE 90 HE2 PHE 90 22.161 -8.669 0.772 680 HZ PHE 90 HZ PHE 90 21.505 -6.678 -0.566 681 H LYS 91 H LYS 91 19.822 -6.840 4.086 682 HA LYS 91 HA LYS 91 20.141 -9.716 4.392 683 1HB LYS 91 HB2 LYS 91 17.719 -8.260 5.416 684 2HB LYS 91 HB3 LYS 91 17.451 -9.676 4.394 685 1HG LYS 91 HG2 LYS 91 19.026 -10.980 5.885 686 2HG LYS 91 HG3 LYS 91 18.979 -9.609 7.017 687 1HD LYS 91 HD2 LYS 91 16.575 -9.889 7.326 688 2HD LYS 91 HD3 LYS 91 16.495 -11.011 5.965 689 1HE LYS 91 HE2 LYS 91 16.346 -12.382 7.873 690 2HE LYS 91 HE3 LYS 91 17.971 -12.613 7.221 691 1HZ LYS 91 HZ1 LYS 91 17.199 -11.015 9.583 692 2HZ LYS 91 HZ2 LYS 91 18.059 -12.396 9.581 693 3HZ LYS 91 HZ3 LYS 91 18.741 -11.044 8.974 694 HA PRO 92 HA PRO 92 19.262 -8.828 0.052 695 1HB PRO 92 HB2 PRO 92 19.068 -11.372 -0.954 696 2HB PRO 92 HB3 PRO 92 20.625 -10.640 -0.461 697 1HG PRO 92 HG2 PRO 92 18.854 -12.505 1.146 698 2HG PRO 92 HG3 PRO 92 20.622 -12.617 0.877 699 1HD PRO 92 HD2 PRO 92 19.564 -11.499 3.132 700 2HD PRO 92 HD3 PRO 92 21.057 -10.859 2.386 701 H LYS 93 H LYS 93 17.449 -9.109 -1.469 702 HA LYS 93 HA LYS 93 14.966 -8.823 -0.198 703 1HB LYS 93 HB2 LYS 93 13.975 -8.999 -2.500 704 2HB LYS 93 HB3 LYS 93 15.197 -7.767 -2.269 705 1HG LYS 93 HG2 LYS 93 16.886 -9.325 -3.358 706 2HG LYS 93 HG3 LYS 93 15.538 -10.433 -3.701 707 1HD LYS 93 HD2 LYS 93 14.399 -8.605 -4.960 708 2HD LYS 93 HD3 LYS 93 15.769 -7.522 -4.598 709 1HE LYS 93 HE2 LYS 93 17.299 -8.950 -5.849 710 2HE LYS 93 HE3 LYS 93 16.048 -10.180 -6.085 711 1HZ LYS 93 HZ1 LYS 93 14.851 -8.660 -7.485 712 2HZ LYS 93 HZ2 LYS 93 15.879 -7.423 -7.172 713 3HZ LYS 93 HZ3 LYS 93 16.387 -8.729 -8.030 714 H GLU 94 H GLU 94 16.377 -11.808 -1.470 715 HA GLU 94 HA GLU 94 13.972 -13.331 -1.343 716 1HB GLU 94 HB2 GLU 94 16.040 -14.055 -2.499 717 2HB GLU 94 HB3 GLU 94 16.862 -14.232 -0.941 718 1HG GLU 94 HG2 GLU 94 15.243 -15.988 -0.277 719 2HG GLU 94 HG3 GLU 94 14.355 -15.759 -1.786 720 H ALA 95 H ALA 95 16.572 -12.785 1.114 721 HA ALA 95 HA ALA 95 15.342 -14.360 3.140 722 1HB ALA 95 HB1 ALA 95 17.739 -13.731 3.173 723 2HB ALA 95 HB2 ALA 95 17.284 -12.024 3.417 724 3HB ALA 95 HB3 ALA 95 16.915 -13.236 4.661 725 H LEU 96 H LEU 96 15.148 -10.886 2.318 726 HA LEU 96 HA LEU 96 13.477 -10.125 4.487 727 1HB LEU 96 HB2 LEU 96 13.809 -9.047 1.690 728 2HB LEU 96 HB3 LEU 96 12.791 -8.257 2.899 729 HG LEU 96 HG LEU 96 15.803 -8.670 3.096 730 1HD1 LEU 96 HD11 LEU 96 15.931 -6.250 2.756 731 2HD1 LEU 96 HD12 LEU 96 15.118 -7.025 1.398 732 3HD1 LEU 96 HD13 LEU 96 14.159 -6.154 2.614 733 1HD2 LEU 96 HD21 LEU 96 14.880 -8.678 5.342 734 2HD2 LEU 96 HD22 LEU 96 15.634 -7.115 5.045 735 3HD2 LEU 96 HD23 LEU 96 13.866 -7.258 4.977 736 H GLN 97 H GLN 97 12.605 -11.292 1.187 737 HA GLN 97 HA GLN 97 9.798 -11.067 1.631 738 1HB GLN 97 HB2 GLN 97 11.545 -12.659 -0.264 739 2HB GLN 97 HB3 GLN 97 9.848 -13.117 -0.118 740 1HG GLN 97 HG2 GLN 97 9.039 -11.036 -0.824 741 2HG GLN 97 HG3 GLN 97 10.606 -10.239 -0.603 742 1HE2 GLN 97 HE22 GLN 97 12.444 -11.053 -1.969 743 2HE2 GLN 97 HE21 GLN 97 12.083 -11.472 -3.642 744 H GLU 98 H GLU 98 12.104 -13.694 2.386 745 HA GLU 98 HA GLU 98 10.059 -15.499 3.248 746 1HB GLU 98 HB2 GLU 98 13.026 -15.302 3.885 747 2HB GLU 98 HB3 GLU 98 12.010 -16.560 4.581 748 1HG GLU 98 HG2 GLU 98 12.303 -16.111 1.578 749 2HG GLU 98 HG3 GLU 98 13.287 -17.229 2.513 750 H LEU 99 H LEU 99 11.933 -13.008 4.981 751 HA LEU 99 HA LEU 99 10.972 -13.481 7.582 752 1HB LEU 99 HB2 LEU 99 12.985 -12.222 6.997 753 2HB LEU 99 HB3 LEU 99 12.027 -11.027 6.131 754 HG LEU 99 HG LEU 99 10.955 -10.330 8.202 755 1HD1 LEU 99 HD11 LEU 99 11.104 -12.304 9.613 756 2HD1 LEU 99 HD12 LEU 99 12.877 -12.344 9.465 757 3HD1 LEU 99 HD13 LEU 99 12.087 -11.051 10.386 758 1HD2 LEU 99 HD21 LEU 99 12.940 -9.149 9.104 759 2HD2 LEU 99 HD22 LEU 99 14.000 -10.284 8.237 760 3HD2 LEU 99 HD23 LEU 99 12.943 -9.180 7.332 761 H VAL 100 H VAL 100 9.625 -11.460 4.901 762 HA VAL 100 HA VAL 100 7.345 -10.547 6.382 763 HB VAL 100 HB VAL 100 7.868 -10.944 3.406 764 1HG1 VAL 100 HG11 VAL 100 5.461 -10.874 3.674 765 2HG1 VAL 100 HG12 VAL 100 5.574 -9.449 4.727 766 3HG1 VAL 100 HG13 VAL 100 6.011 -9.338 3.005 767 1HG2 VAL 100 HG21 VAL 100 9.306 -9.224 4.664 768 2HG2 VAL 100 HG22 VAL 100 8.428 -8.680 3.248 769 3HG2 VAL 100 HG23 VAL 100 7.820 -8.300 4.888 770 H ASN 101 H ASN 101 7.917 -13.281 4.180 771 HA ASN 101 HA ASN 101 5.307 -14.175 3.858 772 1HB ASN 101 HB2 ASN 101 7.244 -14.786 2.449 773 2HB ASN 101 HB3 ASN 101 7.873 -15.806 3.751 774 1HD2 ASN 101 HD22 ASN 101 5.806 -15.650 1.026 775 2HD2 ASN 101 HD21 ASN 101 5.055 -17.217 1.201 776 H LYS 102 H LYS 102 7.662 -15.096 6.369 777 HA LYS 102 HA LYS 102 6.135 -17.286 7.382 778 1HB LYS 102 HB2 LYS 102 7.615 -17.208 9.323 779 2HB LYS 102 HB3 LYS 102 8.499 -17.133 7.796 780 1HG LYS 102 HG2 LYS 102 8.786 -14.703 8.057 781 2HG LYS 102 HG3 LYS 102 7.877 -14.741 9.558 782 1HD LYS 102 HD2 LYS 102 10.497 -16.222 9.103 783 2HD LYS 102 HD3 LYS 102 10.375 -14.603 9.806 784 1HE LYS 102 HE2 LYS 102 8.970 -15.477 11.645 785 2HE LYS 102 HE3 LYS 102 9.098 -17.109 10.974 786 1HZ LYS 102 HZ1 LYS 102 11.518 -16.961 11.327 787 2HZ LYS 102 HZ2 LYS 102 11.357 -15.487 12.042 788 3HZ LYS 102 HZ3 LYS 102 10.694 -16.815 12.721 789 H HIS 103 H HIS 103 5.300 -14.023 7.531 790 HA HIS 103 HA HIS 103 3.452 -14.571 9.819 791 1HB HIS 103 HB2 HIS 103 4.752 -11.934 9.038 792 2HB HIS 103 HB3 HIS 103 3.539 -12.143 10.301 793 HD1 HIS 103 HD1 HIS 103 4.386 -14.098 12.280 794 HD2 HIS 103 HD2 HIS 103 7.221 -12.184 9.827 795 HE1 HIS 103 HE1 HIS 103 6.647 -14.424 13.406 796 H LEU 104 H LEU 104 3.519 -14.139 6.469 797 HA LEU 104 HA LEU 104 1.143 -12.546 6.143 798 1HB LEU 104 HB2 LEU 104 2.480 -14.631 4.377 799 2HB LEU 104 HB3 LEU 104 1.038 -13.738 3.905 800 HG LEU 104 HG LEU 104 3.779 -12.543 4.460 801 1HD1 LEU 104 HD11 LEU 104 3.786 -12.045 2.066 802 2HD1 LEU 104 HD12 LEU 104 3.549 -13.782 2.312 803 3HD1 LEU 104 HD13 LEU 104 2.169 -12.754 1.882 804 1HD2 LEU 104 HD21 LEU 104 2.158 -10.882 5.152 805 2HD2 LEU 104 HD22 LEU 104 2.777 -10.411 3.574 806 3HD2 LEU 104 HD23 LEU 104 1.171 -11.169 3.700 Start of MODEL 19 1 1H MET 1 H1 MET 1 1.952 -1.462 1.283 2 2H MET 1 H2 MET 1 0.739 -0.361 1.109 3 3H MET 1 H3 MET 1 0.705 -1.809 0.298 4 HA MET 1 HA MET 1 2.623 -1.228 -0.975 5 1HB MET 1 HB2 MET 1 0.386 0.843 -1.087 6 2HB MET 1 HB3 MET 1 1.674 0.711 -2.284 7 1HG MET 1 HG2 MET 1 0.996 -1.611 -2.786 8 2HG MET 1 HG3 MET 1 -0.363 -1.461 -1.669 9 1HE MET 1 HE1 MET 1 -2.528 -0.089 -2.097 10 2HE MET 1 HE2 MET 1 -1.603 1.428 -2.209 11 3HE MET 1 HE3 MET 1 -2.773 1.006 -3.474 12 H ALA 2 H ALA 2 4.369 0.017 -1.343 13 HA ALA 2 HA ALA 2 5.847 1.603 -1.406 14 1HB ALA 2 HB1 ALA 2 3.944 3.122 -1.897 15 2HB ALA 2 HB2 ALA 2 3.844 3.518 -0.163 16 3HB ALA 2 HB3 ALA 2 5.294 3.934 -1.091 17 H ILE 3 H ILE 3 7.168 3.157 -0.213 18 HA ILE 3 HA ILE 3 7.759 2.194 2.515 19 HB ILE 3 HB ILE 3 9.323 4.069 0.654 20 1HG1 ILE 3 HG12 ILE 3 11.061 2.153 0.786 21 2HG1 ILE 3 HG13 ILE 3 9.742 1.122 1.314 22 1HG2 ILE 3 HG21 ILE 3 10.093 2.868 3.352 23 2HG2 ILE 3 HG22 ILE 3 11.162 3.827 2.306 24 3HG2 ILE 3 HG23 ILE 3 9.756 4.583 3.028 25 1HD1 ILE 3 HD11 ILE 3 9.787 2.635 -1.329 26 2HD1 ILE 3 HD12 ILE 3 10.360 0.971 -1.102 27 3HD1 ILE 3 HD13 ILE 3 8.655 1.339 -0.856 28 H VAL 4 H VAL 4 7.503 3.580 4.208 29 HA VAL 4 HA VAL 4 6.191 6.220 3.837 30 HB VAL 4 HB VAL 4 5.429 3.978 5.759 31 1HG1 VAL 4 HG11 VAL 4 4.101 6.671 5.285 32 2HG1 VAL 4 HG12 VAL 4 3.364 5.329 6.183 33 3HG1 VAL 4 HG13 VAL 4 4.826 6.058 6.801 34 1HG2 VAL 4 HG21 VAL 4 4.019 4.912 3.222 35 2HG2 VAL 4 HG22 VAL 4 4.696 3.297 3.540 36 3HG2 VAL 4 HG23 VAL 4 3.285 3.843 4.433 37 H LYS 5 H LYS 5 6.352 7.412 6.017 38 HA LYS 5 HA LYS 5 8.912 6.786 7.411 39 1HB LYS 5 HB2 LYS 5 9.025 8.714 5.765 40 2HB LYS 5 HB3 LYS 5 7.915 9.587 6.815 41 1HG LYS 5 HG2 LYS 5 9.482 9.954 8.447 42 2HG LYS 5 HG3 LYS 5 10.272 8.389 8.234 43 1HD LYS 5 HD2 LYS 5 10.544 10.682 6.256 44 2HD LYS 5 HD3 LYS 5 11.693 10.369 7.572 45 1HE LYS 5 HE2 LYS 5 12.341 8.253 6.693 46 2HE LYS 5 HE3 LYS 5 10.944 8.154 5.634 47 1HZ LYS 5 HZ1 LYS 5 11.892 9.956 4.298 48 2HZ LYS 5 HZ2 LYS 5 13.179 10.091 5.289 49 3HZ LYS 5 HZ3 LYS 5 12.966 8.741 4.400 50 H ALA 6 H ALA 6 8.771 7.216 9.697 51 HA ALA 6 HA ALA 6 6.244 8.275 10.795 52 1HB ALA 6 HB1 ALA 6 5.810 5.842 10.541 53 2HB ALA 6 HB2 ALA 6 7.294 5.488 11.463 54 3HB ALA 6 HB3 ALA 6 5.923 6.305 12.246 55 H THR 7 H THR 7 6.383 8.368 13.196 56 HA THR 7 HA THR 7 9.077 8.393 14.369 57 HB THR 7 HB THR 7 8.464 10.493 15.613 58 HG1 THR 7 HG1 THR 7 6.463 10.639 13.606 59 1HG2 THR 7 HG21 THR 7 9.129 12.073 13.905 60 2HG2 THR 7 HG22 THR 7 10.041 10.569 13.697 61 3HG2 THR 7 HG23 THR 7 8.689 10.937 12.608 62 H ASP 8 H ASP 8 8.628 8.691 16.887 63 HA ASP 8 HA ASP 8 6.973 6.734 17.957 64 1HB ASP 8 HB2 ASP 8 8.666 7.922 19.256 65 2HB ASP 8 HB3 ASP 8 7.761 9.430 19.100 66 H GLN 9 H GLN 9 6.039 9.935 16.848 67 HA GLN 9 HA GLN 9 3.523 10.198 18.124 68 1HB GLN 9 HB2 GLN 9 4.417 11.303 15.435 69 2HB GLN 9 HB3 GLN 9 3.122 11.938 16.440 70 1HG GLN 9 HG2 GLN 9 4.711 12.644 18.160 71 2HG GLN 9 HG3 GLN 9 6.060 11.911 17.285 72 1HE2 GLN 9 HE22 GLN 9 6.379 12.682 14.955 73 2HE2 GLN 9 HE21 GLN 9 6.188 14.407 14.680 74 H SER 10 H SER 10 4.484 8.446 15.192 75 HA SER 10 HA SER 10 1.643 7.853 14.531 76 1HB SER 10 HB2 SER 10 2.546 8.052 12.169 77 2HB SER 10 HB3 SER 10 2.521 9.542 13.137 78 HG SER 10 HG SER 10 4.460 9.408 12.083 79 H PHE 11 H PHE 11 4.773 6.433 15.082 80 HA PHE 11 HA PHE 11 4.899 4.405 13.266 81 1HB PHE 11 HB2 PHE 11 6.646 5.064 14.901 82 2HB PHE 11 HB3 PHE 11 5.740 4.293 16.195 83 HD1 PHE 11 HD1 PHE 11 5.887 1.874 16.511 84 HD2 PHE 11 HD2 PHE 11 7.637 3.755 13.043 85 HE1 PHE 11 HE1 PHE 11 7.104 -0.219 15.977 86 HE2 PHE 11 HE2 PHE 11 8.853 1.678 12.525 87 HZ PHE 11 HZ PHE 11 8.588 -0.331 13.994 88 H SER 12 H SER 12 3.203 4.177 16.456 89 HA SER 12 HA SER 12 2.493 1.483 16.192 90 1HB SER 12 HB2 SER 12 0.891 3.625 17.637 91 2HB SER 12 HB3 SER 12 0.996 1.899 18.034 92 HG SER 12 HG SER 12 2.335 3.214 19.373 93 H ALA 13 H ALA 13 0.823 4.387 14.980 94 HA ALA 13 HA ALA 13 -1.546 2.964 14.177 95 1HB ALA 13 HB1 ALA 13 -2.081 5.024 12.929 96 2HB ALA 13 HB2 ALA 13 -1.575 5.408 14.585 97 3HB ALA 13 HB3 ALA 13 -0.450 5.652 13.227 98 H GLU 14 H GLU 14 1.461 4.008 12.563 99 HA GLU 14 HA GLU 14 0.692 3.117 9.979 100 1HB GLU 14 HB2 GLU 14 3.444 3.570 11.211 101 2HB GLU 14 HB3 GLU 14 3.226 3.076 9.539 102 1HG GLU 14 HG2 GLU 14 2.244 5.659 10.792 103 2HG GLU 14 HG3 GLU 14 3.560 5.465 9.633 104 H THR 15 H THR 15 2.219 1.371 12.686 105 HA THR 15 HA THR 15 2.672 -0.966 11.062 106 HB THR 15 HB THR 15 3.561 -1.869 13.226 107 HG1 THR 15 HG1 THR 15 3.343 0.800 14.116 108 1HG2 THR 15 HG21 THR 15 5.543 -0.326 13.237 109 2HG2 THR 15 HG22 THR 15 5.084 -0.880 11.621 110 3HG2 THR 15 HG23 THR 15 4.678 0.764 12.144 111 H SER 16 H SER 16 -0.186 0.130 12.163 112 HA SER 16 HA SER 16 -1.132 -2.518 13.069 113 1HB SER 16 HB2 SER 16 -2.317 0.256 13.451 114 2HB SER 16 HB3 SER 16 -3.064 -1.259 13.995 115 HG SER 16 HG SER 16 -0.694 -0.017 14.888 116 H GLU 17 H GLU 17 -0.591 -1.989 10.284 117 HA GLU 17 HA GLU 17 -3.318 -2.402 9.166 118 1HB GLU 17 HB2 GLU 17 -1.191 -0.567 8.011 119 2HB GLU 17 HB3 GLU 17 -2.676 -1.072 7.182 120 1HG GLU 17 HG2 GLU 17 -3.980 -0.124 9.159 121 2HG GLU 17 HG3 GLU 17 -2.470 0.626 9.692 122 H GLY 18 H GLY 18 -1.992 -4.563 9.893 123 1HA GLY 18 HA2 GLY 18 -1.903 -6.641 8.731 124 2HA GLY 18 HA3 GLY 18 -1.323 -5.814 7.278 125 H VAL 19 H VAL 19 0.496 -7.296 7.207 126 HA VAL 19 HA VAL 19 2.536 -7.128 9.306 127 HB VAL 19 HB VAL 19 2.677 -8.248 6.479 128 1HG1 VAL 19 HG11 VAL 19 4.954 -7.459 7.130 129 2HG1 VAL 19 HG12 VAL 19 4.792 -8.275 8.694 130 3HG1 VAL 19 HG13 VAL 19 4.873 -9.220 7.196 131 1HG2 VAL 19 HG21 VAL 19 1.319 -9.594 8.094 132 2HG2 VAL 19 HG22 VAL 19 2.816 -10.425 7.650 133 3HG2 VAL 19 HG23 VAL 19 2.690 -9.609 9.221 134 H VAL 20 H VAL 20 4.179 -5.683 9.335 135 HA VAL 20 HA VAL 20 4.520 -3.722 7.149 136 HB VAL 20 HB VAL 20 4.146 -3.080 10.111 137 1HG1 VAL 20 HG11 VAL 20 4.655 -1.261 7.712 138 2HG1 VAL 20 HG12 VAL 20 4.201 -0.687 9.325 139 3HG1 VAL 20 HG13 VAL 20 5.741 -1.516 9.095 140 1HG2 VAL 20 HG21 VAL 20 2.311 -2.662 7.695 141 2HG2 VAL 20 HG22 VAL 20 1.935 -3.474 9.225 142 3HG2 VAL 20 HG23 VAL 20 2.112 -1.729 9.173 143 H LEU 21 H LEU 21 6.716 -3.068 7.030 144 HA LEU 21 HA LEU 21 8.604 -4.534 8.838 145 1HB LEU 21 HB2 LEU 21 8.470 -5.632 6.677 146 2HB LEU 21 HB3 LEU 21 8.712 -4.085 5.845 147 HG LEU 21 HG LEU 21 10.978 -3.914 7.048 148 1HD1 LEU 21 HD11 LEU 21 10.375 -6.773 7.745 149 2HD1 LEU 21 HD12 LEU 21 11.989 -6.051 7.772 150 3HD1 LEU 21 HD13 LEU 21 10.753 -5.411 8.858 151 1HD2 LEU 21 HD21 LEU 21 12.104 -5.327 5.438 152 2HD2 LEU 21 HD22 LEU 21 10.622 -6.283 5.179 153 3HD2 LEU 21 HD23 LEU 21 10.706 -4.580 4.666 154 H ALA 22 H ALA 22 9.286 -2.974 10.172 155 HA ALA 22 HA ALA 22 9.547 -0.214 9.247 156 1HB ALA 22 HB1 ALA 22 10.045 -1.566 11.916 157 2HB ALA 22 HB2 ALA 22 10.230 0.175 11.613 158 3HB ALA 22 HB3 ALA 22 8.623 -0.587 11.474 159 H ASP 23 H ASP 23 11.534 0.851 9.260 160 HA ASP 23 HA ASP 23 14.051 -0.759 9.234 161 1HB ASP 23 HB2 ASP 23 13.531 -0.419 6.932 162 2HB ASP 23 HB3 ASP 23 13.018 1.244 7.211 163 H PHE 24 H PHE 24 14.738 -0.072 11.189 164 HA PHE 24 HA PHE 24 14.617 2.714 12.107 165 1HB PHE 24 HB2 PHE 24 15.784 0.140 13.251 166 2HB PHE 24 HB3 PHE 24 16.052 1.722 13.959 167 HD1 PHE 24 HD1 PHE 24 14.572 2.472 15.635 168 HD2 PHE 24 HD2 PHE 24 13.177 -0.464 12.798 169 HE1 PHE 24 HE1 PHE 24 12.344 2.496 16.699 170 HE2 PHE 24 HE2 PHE 24 10.958 -0.439 13.887 171 HZ PHE 24 HZ PHE 24 10.505 1.091 15.774 172 H TRP 25 H TRP 25 15.970 4.126 11.292 173 HA TRP 25 HA TRP 25 18.663 3.425 10.445 174 1HB TRP 25 HB2 TRP 25 18.221 3.302 8.278 175 2HB TRP 25 HB3 TRP 25 16.513 3.376 8.600 176 HD1 TRP 25 HD1 TRP 25 19.262 5.220 6.905 177 HE1 TRP 25 HE1 TRP 25 18.407 7.387 5.869 178 HE3 TRP 25 HE3 TRP 25 14.782 5.558 9.314 179 HZ2 TRP 25 HZ2 TRP 25 16.313 9.296 6.407 180 HZ3 TRP 25 HZ3 TRP 25 13.426 7.647 9.144 181 HH2 TRP 25 HH2 TRP 25 14.234 9.546 7.752 182 H ALA 26 H ALA 26 19.468 5.737 9.328 183 HA ALA 26 HA ALA 26 18.235 8.080 10.389 184 1HB ALA 26 HB1 ALA 26 21.023 7.335 11.396 185 2HB ALA 26 HB2 ALA 26 20.251 8.929 11.592 186 3HB ALA 26 HB3 ALA 26 19.568 7.518 12.406 187 HA PRO 27 HA PRO 27 20.032 9.016 6.514 188 1HB PRO 27 HB2 PRO 27 20.243 11.783 6.472 189 2HB PRO 27 HB3 PRO 27 18.742 10.837 6.257 190 1HG PRO 27 HG2 PRO 27 19.774 12.175 8.767 191 2HG PRO 27 HG3 PRO 27 18.092 12.121 8.136 192 1HD PRO 27 HD2 PRO 27 18.975 10.476 10.138 193 2HD PRO 27 HD3 PRO 27 17.759 9.946 8.936 194 H TRP 28 H TRP 28 21.981 9.792 9.320 195 HA TRP 28 HA TRP 28 24.341 10.479 7.788 196 1HB TRP 28 HB2 TRP 28 25.565 10.158 9.824 197 2HB TRP 28 HB3 TRP 28 24.118 11.087 10.152 198 HD1 TRP 28 HD1 TRP 28 22.435 10.120 11.883 199 HE1 TRP 28 HE1 TRP 28 22.462 8.189 13.545 200 HE3 TRP 28 HE3 TRP 28 26.493 7.563 10.075 201 HZ2 TRP 28 HZ2 TRP 28 23.963 5.742 13.958 202 HZ3 TRP 28 HZ3 TRP 28 27.171 5.416 11.102 203 HH2 TRP 28 HH2 TRP 28 25.912 4.490 13.036 204 H CYS 29 H CYS 29 22.631 7.525 8.354 205 HA CYS 29 HA CYS 29 24.679 5.642 8.633 206 1HB CYS 29 HB2 CYS 29 22.186 5.398 9.029 207 2HB CYS 29 HB3 CYS 29 21.980 5.348 7.303 208 H GLY 30 H GLY 30 25.598 4.135 7.145 209 1HA GLY 30 HA2 GLY 30 25.765 5.019 4.299 210 2HA GLY 30 HA3 GLY 30 26.933 4.009 5.152 211 HA PRO 31 HA PRO 31 24.993 0.281 3.836 212 1HB PRO 31 HB2 PRO 31 24.196 -0.474 6.646 213 2HB PRO 31 HB3 PRO 31 25.015 -1.467 5.405 214 1HG PRO 31 HG2 PRO 31 26.448 -0.341 7.408 215 2HG PRO 31 HG3 PRO 31 27.075 -0.300 5.728 216 1HD PRO 31 HD2 PRO 31 25.676 1.894 7.265 217 2HD PRO 31 HD3 PRO 31 27.116 1.993 6.206 218 H CYS 32 H CYS 32 22.923 2.103 6.127 219 HA CYS 32 HA CYS 32 20.433 0.976 5.461 220 1HB CYS 32 HB2 CYS 32 20.917 3.913 5.969 221 2HB CYS 32 HB3 CYS 32 19.441 2.998 6.212 222 H LYS 33 H LYS 33 22.483 3.216 3.590 223 HA LYS 33 HA LYS 33 20.404 4.016 1.751 224 1HB LYS 33 HB2 LYS 33 23.418 4.107 1.339 225 2HB LYS 33 HB3 LYS 33 22.205 5.055 0.493 226 1HG LYS 33 HG2 LYS 33 22.855 5.299 3.468 227 2HG LYS 33 HG3 LYS 33 23.508 6.323 2.198 228 1HD LYS 33 HD2 LYS 33 21.348 7.280 1.715 229 2HD LYS 33 HD3 LYS 33 20.513 6.090 2.715 230 1HE LYS 33 HE2 LYS 33 20.691 8.324 3.806 231 2HE LYS 33 HE3 LYS 33 21.382 7.001 4.752 232 1HZ LYS 33 HZ1 LYS 33 22.740 9.044 4.676 233 2HZ LYS 33 HZ2 LYS 33 23.541 7.699 4.233 234 3HZ LYS 33 HZ3 LYS 33 23.045 8.792 3.083 235 H MET 34 H MET 34 22.922 1.439 1.853 236 HA MET 34 HA MET 34 22.493 0.731 -0.878 237 1HB MET 34 HB2 MET 34 24.179 -0.750 -0.663 238 2HB MET 34 HB3 MET 34 24.551 0.338 0.670 239 1HG MET 34 HG2 MET 34 23.347 -1.369 2.174 240 2HG MET 34 HG3 MET 34 23.361 -2.449 0.786 241 1HE MET 34 HE1 MET 34 26.071 -3.862 3.294 242 2HE MET 34 HE2 MET 34 24.499 -3.102 3.639 243 3HE MET 34 HE3 MET 34 24.652 -4.277 2.310 244 H ILE 35 H ILE 35 21.056 -0.404 2.161 245 HA ILE 35 HA ILE 35 19.565 -2.487 0.830 246 HB ILE 35 HB ILE 35 20.266 -2.629 3.168 247 1HG1 ILE 35 HG12 ILE 35 17.243 -2.865 3.045 248 2HG1 ILE 35 HG13 ILE 35 18.325 -3.963 2.174 249 1HG2 ILE 35 HG21 ILE 35 19.833 -0.337 3.863 250 2HG2 ILE 35 HG22 ILE 35 18.077 -0.603 3.755 251 3HG2 ILE 35 HG23 ILE 35 19.059 -1.474 4.956 252 1HD1 ILE 35 HD11 ILE 35 19.388 -4.622 4.305 253 2HD1 ILE 35 HD12 ILE 35 18.262 -3.565 5.191 254 3HD1 ILE 35 HD13 ILE 35 17.647 -4.954 4.283 255 H ALA 36 H ALA 36 19.037 0.971 1.100 256 HA ALA 36 HA ALA 36 16.255 1.059 1.093 257 1HB ALA 36 HB1 ALA 36 17.686 3.038 1.355 258 2HB ALA 36 HB2 ALA 36 18.122 2.965 -0.366 259 3HB ALA 36 HB3 ALA 36 16.445 3.273 0.110 260 HA PRO 37 HA PRO 37 15.945 0.596 -3.635 261 1HB PRO 37 HB2 PRO 37 17.943 -0.684 -5.055 262 2HB PRO 37 HB3 PRO 37 17.801 1.091 -4.876 263 1HG PRO 37 HG2 PRO 37 19.504 -0.819 -3.251 264 2HG PRO 37 HG3 PRO 37 19.987 0.742 -3.990 265 1HD PRO 37 HD2 PRO 37 19.323 0.593 -1.387 266 2HD PRO 37 HD3 PRO 37 18.792 1.985 -2.365 267 H VAL 38 H VAL 38 17.586 -1.817 -1.622 268 HA VAL 38 HA VAL 38 16.361 -4.095 -2.866 269 HB VAL 38 HB VAL 38 17.388 -3.896 -0.006 270 1HG1 VAL 38 HG11 VAL 38 16.096 -5.940 -0.541 271 2HG1 VAL 38 HG12 VAL 38 17.174 -6.232 -1.928 272 3HG1 VAL 38 HG13 VAL 38 17.805 -6.295 -0.264 273 1HG2 VAL 38 HG21 VAL 38 19.210 -3.141 -1.497 274 2HG2 VAL 38 HG22 VAL 38 19.549 -4.763 -0.905 275 3HG2 VAL 38 HG23 VAL 38 18.942 -4.537 -2.557 276 H LEU 39 H LEU 39 15.479 -1.907 -0.113 277 HA LEU 39 HA LEU 39 13.006 -3.214 0.435 278 1HB LEU 39 HB2 LEU 39 13.924 -0.353 0.912 279 2HB LEU 39 HB3 LEU 39 12.398 -0.988 1.498 280 HG LEU 39 HG LEU 39 15.112 -2.162 2.212 281 1HD1 LEU 39 HD11 LEU 39 14.838 -1.066 4.398 282 2HD1 LEU 39 HD12 LEU 39 14.892 0.120 3.087 283 3HD1 LEU 39 HD13 LEU 39 13.336 -0.295 3.839 284 1HD2 LEU 39 HD21 LEU 39 12.358 -2.663 3.430 285 2HD2 LEU 39 HD22 LEU 39 13.279 -3.814 2.438 286 3HD2 LEU 39 HD23 LEU 39 13.895 -3.328 4.019 287 H GLU 40 H GLU 40 13.836 -0.622 -1.918 288 HA GLU 40 HA GLU 40 11.140 -0.272 -2.783 289 1HB GLU 40 HB2 GLU 40 13.754 0.117 -4.284 290 2HB GLU 40 HB3 GLU 40 12.167 0.515 -4.946 291 1HG GLU 40 HG2 GLU 40 11.745 2.055 -3.047 292 2HG GLU 40 HG3 GLU 40 13.351 1.714 -2.407 293 H GLU 41 H GLU 41 13.644 -2.618 -3.876 294 HA GLU 41 HA GLU 41 11.964 -3.880 -5.810 295 1HB GLU 41 HB2 GLU 41 14.357 -4.859 -4.222 296 2HB GLU 41 HB3 GLU 41 13.465 -5.894 -5.345 297 1HG GLU 41 HG2 GLU 41 13.916 -4.361 -7.199 298 2HG GLU 41 HG3 GLU 41 14.777 -3.263 -6.117 299 H LEU 42 H LEU 42 12.349 -4.351 -2.307 300 HA LEU 42 HA LEU 42 10.671 -6.626 -2.117 301 1HB LEU 42 HB2 LEU 42 12.237 -5.842 -0.316 302 2HB LEU 42 HB3 LEU 42 11.171 -4.472 -0.012 303 HG LEU 42 HG LEU 42 9.325 -6.034 0.587 304 1HD1 LEU 42 HD11 LEU 42 9.891 -8.412 1.062 305 2HD1 LEU 42 HD12 LEU 42 9.991 -8.053 -0.669 306 3HD1 LEU 42 HD13 LEU 42 11.480 -8.177 0.301 307 1HD2 LEU 42 HD21 LEU 42 11.922 -6.419 2.122 308 2HD2 LEU 42 HD22 LEU 42 10.783 -5.069 2.307 309 3HD2 LEU 42 HD23 LEU 42 10.285 -6.710 2.753 310 H ASP 43 H ASP 43 9.889 -3.096 -1.887 311 HA ASP 43 HA ASP 43 7.109 -3.358 -1.463 312 1HB ASP 43 HB2 ASP 43 8.247 -1.164 -1.423 313 2HB ASP 43 HB3 ASP 43 8.564 -1.299 -3.171 314 H GLN 44 H GLN 44 8.992 -3.362 -4.489 315 HA GLN 44 HA GLN 44 6.695 -3.543 -6.177 316 1HB GLN 44 HB2 GLN 44 9.645 -4.053 -6.659 317 2HB GLN 44 HB3 GLN 44 8.431 -4.097 -7.946 318 1HG GLN 44 HG2 GLN 44 7.811 -1.795 -7.597 319 2HG GLN 44 HG3 GLN 44 8.740 -1.674 -6.104 320 1HE2 GLN 44 HE22 GLN 44 11.040 -1.633 -6.204 321 2HE2 GLN 44 HE21 GLN 44 11.901 -1.188 -7.679 322 H GLU 45 H GLU 45 8.054 -5.942 -4.188 323 HA GLU 45 HA GLU 45 6.902 -8.171 -5.775 324 1HB GLU 45 HB2 GLU 45 9.101 -7.958 -3.696 325 2HB GLU 45 HB3 GLU 45 8.394 -9.514 -4.187 326 1HG GLU 45 HG2 GLU 45 8.936 -9.090 -6.546 327 2HG GLU 45 HG3 GLU 45 9.564 -7.497 -6.152 328 H MET 46 H MET 46 6.727 -6.536 -2.650 329 HA MET 46 HA MET 46 4.586 -8.452 -1.807 330 1HB MET 46 HB2 MET 46 6.571 -6.932 -0.076 331 2HB MET 46 HB3 MET 46 5.423 -8.152 0.459 332 1HG MET 46 HG2 MET 46 7.840 -8.568 -1.337 333 2HG MET 46 HG3 MET 46 7.677 -9.063 0.341 334 1HE MET 46 HE1 MET 46 4.955 -10.458 0.667 335 2HE MET 46 HE2 MET 46 5.373 -12.132 0.234 336 3HE MET 46 HE3 MET 46 6.527 -11.154 1.173 337 H GLY 47 H GLY 47 5.003 -5.149 -2.595 338 1HA GLY 47 HA2 GLY 47 3.850 -3.778 -0.488 339 2HA GLY 47 HA3 GLY 47 3.800 -3.290 -2.188 340 H ASP 48 H ASP 48 2.176 -5.969 -2.553 341 HA ASP 48 HA ASP 48 -0.461 -4.810 -2.487 342 1HB ASP 48 HB2 ASP 48 0.190 -6.479 -4.159 343 2HB ASP 48 HB3 ASP 48 0.511 -7.664 -2.889 344 H LYS 49 H LYS 49 1.485 -6.733 -0.288 345 HA LYS 49 HA LYS 49 -0.728 -6.852 1.717 346 1HB LYS 49 HB2 LYS 49 1.654 -8.707 1.255 347 2HB LYS 49 HB3 LYS 49 0.493 -8.873 2.558 348 1HG LYS 49 HG2 LYS 49 -0.352 -9.032 -0.364 349 2HG LYS 49 HG3 LYS 49 0.303 -10.401 0.515 350 1HD LYS 49 HD2 LYS 49 -1.975 -10.753 0.741 351 2HD LYS 49 HD3 LYS 49 -1.507 -10.055 2.277 352 1HE LYS 49 HE2 LYS 49 -3.505 -8.973 1.802 353 2HE LYS 49 HE3 LYS 49 -2.310 -7.781 1.300 354 1HZ LYS 49 HZ1 LYS 49 -4.028 -8.010 -0.342 355 2HZ LYS 49 HZ2 LYS 49 -2.644 -8.560 -1.012 356 3HZ LYS 49 HZ3 LYS 49 -3.788 -9.614 -0.492 357 H LEU 50 H LEU 50 2.530 -5.754 1.035 358 HA LEU 50 HA LEU 50 3.108 -5.447 3.913 359 1HB LEU 50 HB2 LEU 50 4.596 -6.765 2.366 360 2HB LEU 50 HB3 LEU 50 4.896 -5.287 1.453 361 HG LEU 50 HG LEU 50 5.998 -4.277 3.446 362 1HD1 LEU 50 HD11 LEU 50 4.860 -5.446 5.277 363 2HD1 LEU 50 HD12 LEU 50 5.468 -7.009 4.695 364 3HD1 LEU 50 HD13 LEU 50 6.582 -5.794 5.357 365 1HD2 LEU 50 HD21 LEU 50 8.009 -5.690 3.393 366 2HD2 LEU 50 HD22 LEU 50 7.078 -6.987 2.602 367 3HD2 LEU 50 HD23 LEU 50 7.330 -5.430 1.779 368 H LYS 51 H LYS 51 4.077 -3.525 4.710 369 HA LYS 51 HA LYS 51 4.125 -1.091 3.019 370 1HB LYS 51 HB2 LYS 51 2.074 -0.986 4.489 371 2HB LYS 51 HB3 LYS 51 3.096 -1.291 5.894 372 1HG LYS 51 HG2 LYS 51 4.388 0.871 5.187 373 2HG LYS 51 HG3 LYS 51 3.017 1.186 4.127 374 1HD LYS 51 HD2 LYS 51 2.918 0.775 7.154 375 2HD LYS 51 HD3 LYS 51 2.917 2.339 6.336 376 1HE LYS 51 HE2 LYS 51 0.772 1.775 5.225 377 2HE LYS 51 HE3 LYS 51 0.751 0.202 6.048 378 1HZ LYS 51 HZ1 LYS 51 0.776 2.827 7.422 379 2HZ LYS 51 HZ2 LYS 51 -0.569 1.906 7.210 380 3HZ LYS 51 HZ3 LYS 51 0.673 1.354 8.149 381 H ILE 52 H ILE 52 6.060 0.133 3.551 382 HA ILE 52 HA ILE 52 7.877 -1.229 5.484 383 HB ILE 52 HB ILE 52 8.485 0.126 2.845 384 1HG1 ILE 52 HG12 ILE 52 8.865 -2.782 3.698 385 2HG1 ILE 52 HG13 ILE 52 7.560 -2.197 2.670 386 1HG2 ILE 52 HG21 ILE 52 10.853 -0.405 3.256 387 2HG2 ILE 52 HG22 ILE 52 10.246 0.628 4.537 388 3HG2 ILE 52 HG23 ILE 52 10.443 -1.113 4.835 389 1HD1 ILE 52 HD11 ILE 52 10.495 -2.269 1.953 390 2HD1 ILE 52 HD12 ILE 52 9.162 -3.173 1.230 391 3HD1 ILE 52 HD13 ILE 52 9.259 -1.418 0.992 392 H VAL 53 H VAL 53 8.767 0.186 7.052 393 HA VAL 53 HA VAL 53 7.806 3.028 6.935 394 HB VAL 53 HB VAL 53 7.454 1.033 9.205 395 1HG1 VAL 53 HG11 VAL 53 6.306 2.895 10.398 396 2HG1 VAL 53 HG12 VAL 53 8.017 3.243 10.162 397 3HG1 VAL 53 HG13 VAL 53 6.809 4.021 9.115 398 1HG2 VAL 53 HG21 VAL 53 5.057 1.505 8.908 399 2HG2 VAL 53 HG22 VAL 53 5.415 2.578 7.544 400 3HG2 VAL 53 HG23 VAL 53 5.746 0.840 7.424 401 H LYS 54 H LYS 54 9.717 4.093 6.667 402 HA LYS 54 HA LYS 54 12.124 3.257 8.130 403 1HB LYS 54 HB2 LYS 54 11.560 5.725 6.429 404 2HB LYS 54 HB3 LYS 54 13.129 5.284 7.122 405 1HG LYS 54 HG2 LYS 54 13.080 3.139 5.838 406 2HG LYS 54 HG3 LYS 54 11.545 3.605 5.127 407 1HD LYS 54 HD2 LYS 54 13.308 4.029 3.532 408 2HD LYS 54 HD3 LYS 54 12.586 5.548 4.051 409 1HE LYS 54 HE2 LYS 54 14.925 5.905 3.936 410 2HE LYS 54 HE3 LYS 54 14.508 5.862 5.652 411 1HZ LYS 54 HZ1 LYS 54 15.797 3.695 4.094 412 2HZ LYS 54 HZ2 LYS 54 16.483 4.585 5.282 413 3HZ LYS 54 HZ3 LYS 54 15.320 3.491 5.642 414 H ILE 55 H ILE 55 12.878 4.195 10.048 415 HA ILE 55 HA ILE 55 11.503 6.602 11.057 416 HB ILE 55 HB ILE 55 10.167 4.910 12.005 417 1HG1 ILE 55 HG12 ILE 55 12.074 5.750 14.221 418 2HG1 ILE 55 HG13 ILE 55 10.983 6.874 13.410 419 1HG2 ILE 55 HG21 ILE 55 12.639 3.540 13.137 420 2HG2 ILE 55 HG22 ILE 55 10.957 3.075 13.430 421 3HG2 ILE 55 HG23 ILE 55 11.631 2.922 11.810 422 1HD1 ILE 55 HD11 ILE 55 10.115 4.419 14.989 423 2HD1 ILE 55 HD12 ILE 55 9.972 6.111 15.485 424 3HD1 ILE 55 HD13 ILE 55 9.030 5.522 14.106 425 H ASP 56 H ASP 56 12.856 8.007 11.902 426 HA ASP 56 HA ASP 56 15.702 7.484 11.575 427 1HB ASP 56 HB2 ASP 56 14.726 9.502 10.653 428 2HB ASP 56 HB3 ASP 56 14.164 10.005 12.247 429 H VAL 57 H VAL 57 16.683 6.465 13.303 430 HA VAL 57 HA VAL 57 15.630 6.479 15.928 431 HB VAL 57 HB VAL 57 17.681 5.387 16.622 432 1HG1 VAL 57 HG11 VAL 57 16.815 4.350 13.890 433 2HG1 VAL 57 HG12 VAL 57 17.507 3.419 15.237 434 3HG1 VAL 57 HG13 VAL 57 15.902 4.158 15.396 435 1HG2 VAL 57 HG21 VAL 57 19.386 6.651 15.335 436 2HG2 VAL 57 HG22 VAL 57 19.535 4.907 15.102 437 3HG2 VAL 57 HG23 VAL 57 18.800 5.902 13.836 438 H ASP 58 H ASP 58 17.672 8.891 14.366 439 HA ASP 58 HA ASP 58 18.947 9.865 16.753 440 1HB ASP 58 HB2 ASP 58 19.755 10.314 14.447 441 2HB ASP 58 HB3 ASP 58 18.331 11.325 14.161 442 H GLU 59 H GLU 59 15.712 10.183 15.553 443 HA GLU 59 HA GLU 59 15.105 12.303 17.581 444 1HB GLU 59 HB2 GLU 59 13.777 11.716 14.906 445 2HB GLU 59 HB3 GLU 59 13.187 12.880 16.103 446 1HG GLU 59 HG2 GLU 59 15.433 14.062 15.933 447 2HG GLU 59 HG3 GLU 59 15.786 13.046 14.534 448 H ASN 60 H ASN 60 15.029 9.072 17.259 449 HA ASN 60 HA ASN 60 12.392 8.714 18.599 450 1HB ASN 60 HB2 ASN 60 13.300 7.208 16.113 451 2HB ASN 60 HB3 ASN 60 11.943 6.749 17.129 452 1HD2 ASN 60 HD22 ASN 60 13.005 8.969 14.662 453 2HD2 ASN 60 HD21 ASN 60 11.478 9.811 14.475 454 H GLN 61 H GLN 61 14.907 8.836 19.781 455 HA GLN 61 HA GLN 61 16.220 6.384 20.201 456 1HB GLN 61 HB2 GLN 61 15.766 8.771 22.038 457 2HB GLN 61 HB3 GLN 61 16.828 7.426 22.449 458 1HG GLN 61 HG2 GLN 61 17.180 9.138 19.951 459 2HG GLN 61 HG3 GLN 61 17.995 9.438 21.482 460 1HE2 GLN 61 HE22 GLN 61 18.011 7.539 18.575 461 2HE2 GLN 61 HE21 GLN 61 19.412 6.548 18.967 462 H GLU 62 H GLU 62 13.165 7.620 21.608 463 HA GLU 62 HA GLU 62 12.959 5.646 23.648 464 1HB GLU 62 HB2 GLU 62 10.804 7.230 22.174 465 2HB GLU 62 HB3 GLU 62 10.519 6.264 23.621 466 1HG GLU 62 HG2 GLU 62 12.350 8.699 23.438 467 2HG GLU 62 HG3 GLU 62 10.732 8.672 24.122 468 H THR 63 H THR 63 11.544 5.739 20.282 469 HA THR 63 HA THR 63 10.316 3.214 20.484 470 HB THR 63 HB THR 63 11.361 4.234 17.895 471 HG1 THR 63 HG1 THR 63 9.740 5.866 17.863 472 1HG2 THR 63 HG21 THR 63 9.779 2.318 17.963 473 2HG2 THR 63 HG22 THR 63 8.555 3.372 18.696 474 3HG2 THR 63 HG23 THR 63 9.145 3.681 17.041 475 H ALA 64 H ALA 64 13.575 4.201 19.303 476 HA ALA 64 HA ALA 64 14.469 1.618 18.519 477 1HB ALA 64 HB1 ALA 64 16.755 2.617 18.867 478 2HB ALA 64 HB2 ALA 64 15.681 3.708 17.969 479 3HB ALA 64 HB3 ALA 64 16.015 3.992 19.691 480 H GLY 65 H GLY 65 14.725 3.288 21.708 481 1HA GLY 65 HA2 GLY 65 15.969 1.195 23.137 482 2HA GLY 65 HA3 GLY 65 14.947 2.478 23.814 483 H LYS 66 H LYS 66 12.577 1.655 22.198 484 HA LYS 66 HA LYS 66 11.265 -0.006 23.995 485 1HB LYS 66 HB2 LYS 66 10.373 1.580 22.136 486 2HB LYS 66 HB3 LYS 66 10.509 0.191 21.064 487 1HG LYS 66 HG2 LYS 66 8.935 -1.095 22.359 488 2HG LYS 66 HG3 LYS 66 8.977 0.073 23.696 489 1HD LYS 66 HD2 LYS 66 7.953 1.790 22.301 490 2HD LYS 66 HD3 LYS 66 7.954 0.699 20.899 491 1HE LYS 66 HE2 LYS 66 6.468 -0.874 22.123 492 2HE LYS 66 HE3 LYS 66 6.485 0.195 23.530 493 1HZ LYS 66 HZ1 LYS 66 5.387 1.887 22.184 494 2HZ LYS 66 HZ2 LYS 66 5.373 0.904 20.875 495 3HZ LYS 66 HZ3 LYS 66 4.504 0.520 22.198 496 H TYR 67 H TYR 67 13.208 -0.912 21.162 497 HA TYR 67 HA TYR 67 12.763 -3.789 21.864 498 1HB TYR 67 HB2 TYR 67 13.662 -2.956 19.143 499 2HB TYR 67 HB3 TYR 67 12.745 -4.372 19.630 500 HD1 TYR 67 HD1 TYR 67 10.252 -3.928 20.419 501 HD2 TYR 67 HD2 TYR 67 12.645 -1.045 18.278 502 HE1 TYR 67 HE1 TYR 67 8.207 -2.653 19.848 503 HE2 TYR 67 HE2 TYR 67 10.649 0.251 17.761 504 HH TYR 67 HH TYR 67 7.335 -0.784 18.762 505 H GLY 68 H GLY 68 14.940 -1.573 22.585 506 1HA GLY 68 HA2 GLY 68 17.170 -1.556 23.030 507 2HA GLY 68 HA3 GLY 68 17.166 -3.317 22.832 508 H VAL 69 H VAL 69 16.278 -0.985 20.253 509 HA VAL 69 HA VAL 69 18.292 -2.013 18.422 510 HB VAL 69 HB VAL 69 16.540 0.478 18.269 511 1HG1 VAL 69 HG11 VAL 69 18.158 -0.953 16.130 512 2HG1 VAL 69 HG12 VAL 69 16.964 0.324 15.815 513 3HG1 VAL 69 HG13 VAL 69 18.420 0.688 16.742 514 1HG2 VAL 69 HG21 VAL 69 15.117 -0.868 16.718 515 2HG2 VAL 69 HG22 VAL 69 16.050 -2.314 17.174 516 3HG2 VAL 69 HG23 VAL 69 15.090 -1.436 18.381 517 H MET 70 H MET 70 20.398 -1.463 18.573 518 HA MET 70 HA MET 70 21.202 1.194 19.675 519 1HB MET 70 HB2 MET 70 22.374 -1.554 20.270 520 2HB MET 70 HB3 MET 70 23.142 -0.033 20.730 521 1HG MET 70 HG2 MET 70 20.405 -0.936 21.682 522 2HG MET 70 HG3 MET 70 21.903 -1.096 22.587 523 1HE MET 70 HE1 MET 70 19.786 1.635 24.508 524 2HE MET 70 HE2 MET 70 19.120 0.290 23.556 525 3HE MET 70 HE3 MET 70 20.534 0.025 24.605 526 H SER 71 H SER 71 21.098 -0.554 16.917 527 HA SER 71 HA SER 71 23.420 0.708 15.727 528 1HB SER 71 HB2 SER 71 22.878 -2.293 15.487 529 2HB SER 71 HB3 SER 71 24.148 -1.390 14.646 530 HG SER 71 HG SER 71 24.932 -2.504 16.491 531 H ILE 72 H ILE 72 23.148 0.578 13.290 532 HA ILE 72 HA ILE 72 20.482 -0.135 12.349 533 HB ILE 72 HB ILE 72 20.224 2.023 11.171 534 1HG1 ILE 72 HG12 ILE 72 22.379 3.126 13.032 535 2HG1 ILE 72 HG13 ILE 72 22.633 2.769 11.321 536 1HG2 ILE 72 HG21 ILE 72 19.195 3.191 12.999 537 2HG2 ILE 72 HG22 ILE 72 19.050 1.466 13.328 538 3HG2 ILE 72 HG23 ILE 72 20.271 2.426 14.184 539 1HD1 ILE 72 HD11 ILE 72 20.670 4.820 12.418 540 2HD1 ILE 72 HD12 ILE 72 22.200 5.135 11.583 541 3HD1 ILE 72 HD13 ILE 72 20.863 4.370 10.707 542 HA PRO 73 HA PRO 73 19.535 0.395 9.942 543 1HB PRO 73 HB2 PRO 73 19.074 -1.536 8.055 544 2HB PRO 73 HB3 PRO 73 19.692 0.091 7.667 545 1HG PRO 73 HG2 PRO 73 21.254 -2.479 7.995 546 2HG PRO 73 HG3 PRO 73 21.425 -1.233 6.720 547 1HD PRO 73 HD2 PRO 73 23.075 -1.349 8.903 548 2HD PRO 73 HD3 PRO 73 22.603 0.208 8.167 549 H THR 74 H THR 74 17.903 -0.658 11.019 550 HA THR 74 HA THR 74 18.265 -3.535 11.721 551 HB THR 74 HB THR 74 17.713 -1.217 13.613 552 HG1 THR 74 HG1 THR 74 19.671 -1.625 14.170 553 1HG2 THR 74 HG21 THR 74 16.101 -2.871 14.269 554 2HG2 THR 74 HG22 THR 74 17.261 -4.195 14.066 555 3HG2 THR 74 HG23 THR 74 17.469 -3.029 15.380 556 H LEU 75 H LEU 75 16.377 -4.689 11.505 557 HA LEU 75 HA LEU 75 14.083 -3.151 10.389 558 1HB LEU 75 HB2 LEU 75 14.988 -5.963 9.712 559 2HB LEU 75 HB3 LEU 75 13.496 -5.203 9.214 560 HG LEU 75 HG LEU 75 14.701 -4.947 7.348 561 1HD1 LEU 75 HD11 LEU 75 15.509 -2.360 8.645 562 2HD1 LEU 75 HD12 LEU 75 15.334 -2.699 6.914 563 3HD1 LEU 75 HD13 LEU 75 13.905 -2.737 7.960 564 1HD2 LEU 75 HD21 LEU 75 17.240 -4.231 8.869 565 2HD2 LEU 75 HD22 LEU 75 16.853 -5.834 8.209 566 3HD2 LEU 75 HD23 LEU 75 17.079 -4.463 7.116 567 H LEU 76 H LEU 76 12.086 -3.548 11.280 568 HA LEU 76 HA LEU 76 11.851 -5.638 13.428 569 1HB LEU 76 HB2 LEU 76 10.994 -2.716 13.476 570 2HB LEU 76 HB3 LEU 76 10.089 -3.930 14.346 571 HG LEU 76 HG LEU 76 11.649 -2.587 15.749 572 1HD1 LEU 76 HD11 LEU 76 10.849 -4.733 16.539 573 2HD1 LEU 76 HD12 LEU 76 12.130 -5.599 15.670 574 3HD1 LEU 76 HD13 LEU 76 12.535 -4.523 17.025 575 1HD2 LEU 76 HD21 LEU 76 13.913 -4.185 14.527 576 2HD2 LEU 76 HD22 LEU 76 13.528 -2.522 14.047 577 3HD2 LEU 76 HD23 LEU 76 13.991 -2.882 15.722 578 H VAL 77 H VAL 77 10.209 -6.970 12.854 579 HA VAL 77 HA VAL 77 8.511 -6.113 10.564 580 HB VAL 77 HB VAL 77 8.776 -8.979 11.449 581 1HG1 VAL 77 HG11 VAL 77 7.116 -8.257 9.741 582 2HG1 VAL 77 HG12 VAL 77 8.425 -7.591 8.743 583 3HG1 VAL 77 HG13 VAL 77 8.325 -9.346 9.036 584 1HG2 VAL 77 HG21 VAL 77 11.121 -8.514 11.251 585 2HG2 VAL 77 HG22 VAL 77 10.637 -9.276 9.735 586 3HG2 VAL 77 HG23 VAL 77 10.885 -7.522 9.811 587 H LEU 78 H LEU 78 6.426 -5.694 11.134 588 HA LEU 78 HA LEU 78 5.529 -6.563 13.830 589 1HB LEU 78 HB2 LEU 78 4.948 -3.906 12.437 590 2HB LEU 78 HB3 LEU 78 4.242 -4.468 13.941 591 HG LEU 78 HG LEU 78 6.887 -4.697 14.588 592 1HD1 LEU 78 HD11 LEU 78 7.652 -3.742 12.437 593 2HD1 LEU 78 HD12 LEU 78 6.758 -2.260 12.771 594 3HD1 LEU 78 HD13 LEU 78 8.112 -2.732 13.813 595 1HD2 LEU 78 HD21 LEU 78 6.664 -2.609 15.832 596 2HD2 LEU 78 HD22 LEU 78 5.257 -2.143 14.857 597 3HD2 LEU 78 HD23 LEU 78 5.173 -3.551 15.932 598 H LYS 79 H LYS 79 3.246 -6.919 13.969 599 HA LYS 79 HA LYS 79 1.765 -6.885 11.415 600 1HB LYS 79 HB2 LYS 79 2.555 -9.237 11.730 601 2HB LYS 79 HB3 LYS 79 1.718 -9.271 13.300 602 1HG LYS 79 HG2 LYS 79 -0.431 -8.839 12.192 603 2HG LYS 79 HG3 LYS 79 0.386 -8.735 10.615 604 1HD LYS 79 HD2 LYS 79 1.067 -11.093 10.813 605 2HD LYS 79 HD3 LYS 79 0.286 -11.201 12.408 606 1HE LYS 79 HE2 LYS 79 -1.904 -10.630 11.362 607 2HE LYS 79 HE3 LYS 79 -1.118 -10.527 9.779 608 1HZ LYS 79 HZ1 LYS 79 -0.532 -12.873 9.999 609 2HZ LYS 79 HZ2 LYS 79 -1.332 -12.976 11.430 610 3HZ LYS 79 HZ3 LYS 79 -2.158 -12.665 10.057 611 H ASP 80 H ASP 80 0.026 -5.697 11.755 612 HA ASP 80 HA ASP 80 -1.694 -4.625 12.730 613 1HB ASP 80 HB2 ASP 80 -2.536 -6.922 12.503 614 2HB ASP 80 HB3 ASP 80 -2.032 -7.280 14.156 615 H GLY 81 H GLY 81 0.753 -4.012 13.951 616 1HA GLY 81 HA2 GLY 81 1.128 -2.365 15.508 617 2HA GLY 81 HA3 GLY 81 -0.268 -2.878 16.450 618 H GLU 82 H GLU 82 1.640 -5.697 15.926 619 HA GLU 82 HA GLU 82 3.279 -5.138 18.363 620 1HB GLU 82 HB2 GLU 82 2.854 -7.220 19.232 621 2HB GLU 82 HB3 GLU 82 1.279 -6.719 18.623 622 1HG GLU 82 HG2 GLU 82 1.670 -8.174 16.593 623 2HG GLU 82 HG3 GLU 82 3.184 -8.720 17.296 624 H VAL 83 H VAL 83 5.430 -5.960 18.344 625 HA VAL 83 HA VAL 83 6.651 -6.468 15.740 626 HB VAL 83 HB VAL 83 7.734 -6.823 18.566 627 1HG1 VAL 83 HG11 VAL 83 9.181 -6.758 15.871 628 2HG1 VAL 83 HG12 VAL 83 9.963 -6.797 17.467 629 3HG1 VAL 83 HG13 VAL 83 9.010 -8.174 16.928 630 1HG2 VAL 83 HG21 VAL 83 8.938 -4.720 18.141 631 2HG2 VAL 83 HG22 VAL 83 8.139 -4.543 16.573 632 3HG2 VAL 83 HG23 VAL 83 7.195 -4.445 18.077 633 H VAL 84 H VAL 84 6.755 -8.312 14.731 634 HA VAL 84 HA VAL 84 6.223 -10.826 16.225 635 HB VAL 84 HB VAL 84 5.349 -11.743 14.165 636 1HG1 VAL 84 HG11 VAL 84 3.209 -10.705 14.185 637 2HG1 VAL 84 HG12 VAL 84 3.849 -10.694 15.832 638 3HG1 VAL 84 HG13 VAL 84 3.862 -9.201 14.868 639 1HG2 VAL 84 HG21 VAL 84 4.761 -10.353 12.230 640 2HG2 VAL 84 HG22 VAL 84 5.481 -8.928 12.987 641 3HG2 VAL 84 HG23 VAL 84 6.513 -10.281 12.485 642 H GLU 85 H GLU 85 8.624 -9.061 14.251 643 HA GLU 85 HA GLU 85 10.499 -11.150 14.975 644 1HB GLU 85 HB2 GLU 85 9.364 -11.156 12.266 645 2HB GLU 85 HB3 GLU 85 11.085 -10.855 12.195 646 1HG GLU 85 HG2 GLU 85 9.837 -13.212 13.666 647 2HG GLU 85 HG3 GLU 85 10.417 -13.246 12.015 648 H THR 86 H THR 86 12.767 -10.545 14.221 649 HA THR 86 HA THR 86 13.193 -7.630 13.846 650 HB THR 86 HB THR 86 14.490 -9.282 16.053 651 HG1 THR 86 HG1 THR 86 13.120 -8.397 17.478 652 1HG2 THR 86 HG21 THR 86 14.479 -6.287 15.472 653 2HG2 THR 86 HG22 THR 86 15.086 -7.009 16.979 654 3HG2 THR 86 HG23 THR 86 15.877 -7.380 15.447 655 H SER 87 H SER 87 15.286 -7.171 12.903 656 HA SER 87 HA SER 87 17.326 -9.240 12.741 657 1HB SER 87 HB2 SER 87 15.866 -8.206 10.284 658 2HB SER 87 HB3 SER 87 17.549 -8.764 10.202 659 HG SER 87 HG SER 87 15.604 -10.330 11.496 660 H VAL 88 H VAL 88 19.409 -8.283 12.142 661 HA VAL 88 HA VAL 88 19.520 -5.317 12.451 662 HB VAL 88 HB VAL 88 21.134 -7.384 13.987 663 1HG1 VAL 88 HG11 VAL 88 21.151 -4.341 14.167 664 2HG1 VAL 88 HG12 VAL 88 22.003 -5.440 15.270 665 3HG1 VAL 88 HG13 VAL 88 22.472 -5.370 13.572 666 1HG2 VAL 88 HG21 VAL 88 18.864 -7.272 14.918 667 2HG2 VAL 88 HG22 VAL 88 20.008 -6.504 16.015 668 3HG2 VAL 88 HG23 VAL 88 18.964 -5.497 14.991 669 H GLY 89 H GLY 89 21.129 -4.363 11.223 670 1HA GLY 89 HA2 GLY 89 22.920 -4.180 9.775 671 2HA GLY 89 HA3 GLY 89 23.246 -5.915 9.909 672 H PHE 90 H PHE 90 23.468 -5.476 7.475 673 HA PHE 90 HA PHE 90 21.129 -5.121 5.845 674 1HB PHE 90 HB2 PHE 90 23.494 -4.851 5.046 675 2HB PHE 90 HB3 PHE 90 23.749 -6.582 5.245 676 HD1 PHE 90 HD1 PHE 90 22.062 -3.969 3.241 677 HD2 PHE 90 HD2 PHE 90 22.797 -8.200 3.642 678 HE1 PHE 90 HE1 PHE 90 21.146 -4.346 0.964 679 HE2 PHE 90 HE2 PHE 90 21.869 -8.573 1.372 680 HZ PHE 90 HZ PHE 90 21.035 -6.651 0.032 681 H LYS 91 H LYS 91 19.940 -6.618 4.677 682 HA LYS 91 HA LYS 91 19.840 -9.393 5.615 683 1HB LYS 91 HB2 LYS 91 18.542 -7.828 7.212 684 2HB LYS 91 HB3 LYS 91 17.502 -7.435 5.852 685 1HG LYS 91 HG2 LYS 91 16.395 -9.044 7.128 686 2HG LYS 91 HG3 LYS 91 16.946 -9.899 5.673 687 1HD LYS 91 HD2 LYS 91 18.787 -10.929 6.983 688 2HD LYS 91 HD3 LYS 91 18.365 -9.924 8.383 689 1HE LYS 91 HE2 LYS 91 16.026 -10.998 8.256 690 2HE LYS 91 HE3 LYS 91 16.741 -12.179 7.142 691 1HZ LYS 91 HZ1 LYS 91 16.833 -13.066 9.328 692 2HZ LYS 91 HZ2 LYS 91 18.374 -12.614 9.022 693 3HZ LYS 91 HZ3 LYS 91 17.388 -11.681 9.971 694 HA PRO 92 HA PRO 92 19.133 -9.036 1.207 695 1HB PRO 92 HB2 PRO 92 18.670 -11.681 0.514 696 2HB PRO 92 HB3 PRO 92 20.289 -10.964 0.805 697 1HG PRO 92 HG2 PRO 92 18.591 -12.587 2.686 698 2HG PRO 92 HG3 PRO 92 20.356 -12.680 2.429 699 1HD PRO 92 HD2 PRO 92 19.237 -11.343 4.547 700 2HD PRO 92 HD3 PRO 92 20.747 -10.782 3.764 701 H LYS 93 H LYS 93 17.484 -9.142 -0.317 702 HA LYS 93 HA LYS 93 14.913 -8.501 0.468 703 1HB LYS 93 HB2 LYS 93 16.067 -8.119 -1.738 704 2HB LYS 93 HB3 LYS 93 15.825 -9.811 -2.140 705 1HG LYS 93 HG2 LYS 93 13.397 -9.503 -2.082 706 2HG LYS 93 HG3 LYS 93 13.588 -7.833 -1.517 707 1HD LYS 93 HD2 LYS 93 13.121 -7.827 -3.877 708 2HD LYS 93 HD3 LYS 93 14.791 -7.278 -3.598 709 1HE LYS 93 HE2 LYS 93 15.682 -9.430 -4.313 710 2HE LYS 93 HE3 LYS 93 14.050 -10.119 -4.411 711 1HZ LYS 93 HZ1 LYS 93 14.899 -9.468 -6.580 712 2HZ LYS 93 HZ2 LYS 93 13.543 -8.632 -6.185 713 3HZ LYS 93 HZ3 LYS 93 15.028 -7.895 -6.118 714 H GLU 94 H GLU 94 16.052 -11.656 -0.734 715 HA GLU 94 HA GLU 94 13.579 -13.008 -0.602 716 1HB GLU 94 HB2 GLU 94 15.600 -13.788 -1.807 717 2HB GLU 94 HB3 GLU 94 16.384 -14.155 -0.265 718 1HG GLU 94 HG2 GLU 94 14.642 -15.838 0.238 719 2HG GLU 94 HG3 GLU 94 13.775 -15.406 -1.239 720 H ALA 95 H ALA 95 16.058 -12.523 1.945 721 HA ALA 95 HA ALA 95 14.780 -14.314 3.804 722 1HB ALA 95 HB1 ALA 95 17.173 -13.816 4.006 723 2HB ALA 95 HB2 ALA 95 16.798 -12.100 4.339 724 3HB ALA 95 HB3 ALA 95 16.298 -13.373 5.474 725 H LEU 96 H LEU 96 14.647 -10.794 3.188 726 HA LEU 96 HA LEU 96 12.890 -10.185 5.340 727 1HB LEU 96 HB2 LEU 96 13.196 -8.870 2.613 728 2HB LEU 96 HB3 LEU 96 12.200 -8.221 3.909 729 HG LEU 96 HG LEU 96 15.205 -8.691 4.149 730 1HD1 LEU 96 HD11 LEU 96 15.453 -6.277 3.934 731 2HD1 LEU 96 HD12 LEU 96 14.682 -6.943 2.490 732 3HD1 LEU 96 HD13 LEU 96 13.701 -6.085 3.704 733 1HD2 LEU 96 HD21 LEU 96 13.210 -7.297 5.981 734 2HD2 LEU 96 HD22 LEU 96 14.162 -8.747 6.343 735 3HD2 LEU 96 HD23 LEU 96 14.975 -7.191 6.149 736 H GLN 97 H GLN 97 12.186 -11.290 2.006 737 HA GLN 97 HA GLN 97 9.361 -11.281 2.335 738 1HB GLN 97 HB2 GLN 97 11.162 -12.965 0.527 739 2HB GLN 97 HB3 GLN 97 9.395 -13.070 0.497 740 1HG GLN 97 HG2 GLN 97 9.211 -10.698 -0.008 741 2HG GLN 97 HG3 GLN 97 10.960 -10.510 0.087 742 1HE2 GLN 97 HE21 GLN 97 12.070 -10.639 -1.768 743 2HE2 GLN 97 HE22 GLN 97 11.324 -11.009 -3.314 744 H GLU 98 H GLU 98 11.781 -13.784 3.166 745 HA GLU 98 HA GLU 98 9.863 -15.726 3.942 746 1HB GLU 98 HB2 GLU 98 12.725 -15.235 4.826 747 2HB GLU 98 HB3 GLU 98 11.772 -16.543 5.501 748 1HG GLU 98 HG2 GLU 98 12.105 -16.275 2.493 749 2HG GLU 98 HG3 GLU 98 13.358 -17.003 3.488 750 H LEU 99 H LEU 99 11.445 -13.148 5.872 751 HA LEU 99 HA LEU 99 10.043 -13.819 8.282 752 1HB LEU 99 HB2 LEU 99 11.114 -11.092 7.447 753 2HB LEU 99 HB3 LEU 99 10.552 -11.544 9.055 754 HG LEU 99 HG LEU 99 13.027 -12.555 7.626 755 1HD1 LEU 99 HD11 LEU 99 14.176 -11.575 9.560 756 2HD1 LEU 99 HD12 LEU 99 13.190 -10.360 8.733 757 3HD1 LEU 99 HD13 LEU 99 12.625 -11.079 10.257 758 1HD2 LEU 99 HD21 LEU 99 11.834 -13.590 10.223 759 2HD2 LEU 99 HD22 LEU 99 12.120 -14.517 8.732 760 3HD2 LEU 99 HD23 LEU 99 13.488 -13.914 9.666 761 H VAL 100 H VAL 100 9.108 -11.657 5.583 762 HA VAL 100 HA VAL 100 6.680 -10.765 6.759 763 HB VAL 100 HB VAL 100 7.608 -11.141 3.894 764 1HG1 VAL 100 HG11 VAL 100 5.758 -9.646 3.189 765 2HG1 VAL 100 HG12 VAL 100 5.200 -11.219 3.766 766 3HG1 VAL 100 HG13 VAL 100 5.043 -9.788 4.811 767 1HG2 VAL 100 HG21 VAL 100 7.983 -8.790 3.872 768 2HG2 VAL 100 HG22 VAL 100 7.171 -8.561 5.448 769 3HG2 VAL 100 HG23 VAL 100 8.733 -9.374 5.352 770 H ASN 101 H ASN 101 7.355 -13.589 4.647 771 HA ASN 101 HA ASN 101 4.645 -14.410 4.639 772 1HB ASN 101 HB2 ASN 101 5.208 -16.094 3.244 773 2HB ASN 101 HB3 ASN 101 6.453 -14.882 2.945 774 1HD2 ASN 101 HD22 ASN 101 7.921 -16.244 2.005 775 2HD2 ASN 101 HD21 ASN 101 8.779 -17.492 2.885 776 H LYS 102 H LYS 102 7.173 -15.117 6.881 777 HA LYS 102 HA LYS 102 6.035 -17.320 8.273 778 1HB LYS 102 HB2 LYS 102 7.635 -14.940 9.292 779 2HB LYS 102 HB3 LYS 102 7.057 -16.207 10.364 780 1HG LYS 102 HG2 LYS 102 8.288 -17.918 9.092 781 2HG LYS 102 HG3 LYS 102 8.932 -16.668 8.017 782 1HD LYS 102 HD2 LYS 102 9.941 -15.516 9.993 783 2HD LYS 102 HD3 LYS 102 9.398 -16.837 11.028 784 1HE LYS 102 HE2 LYS 102 11.266 -17.135 8.627 785 2HE LYS 102 HE3 LYS 102 11.807 -16.974 10.300 786 1HZ LYS 102 HZ1 LYS 102 11.748 -19.280 9.646 787 2HZ LYS 102 HZ2 LYS 102 10.644 -19.043 10.816 788 3HZ LYS 102 HZ3 LYS 102 10.169 -19.214 9.258 789 H HIS 103 H HIS 103 4.889 -13.978 8.107 790 HA HIS 103 HA HIS 103 2.921 -14.597 10.268 791 1HB HIS 103 HB2 HIS 103 4.319 -11.968 9.694 792 2HB HIS 103 HB3 HIS 103 3.133 -12.267 10.967 793 HD1 HIS 103 HD1 HIS 103 4.012 -14.403 12.754 794 HD2 HIS 103 HD2 HIS 103 6.804 -12.299 10.415 795 HE1 HIS 103 HE1 HIS 103 6.296 -14.852 13.783 796 H LEU 104 H LEU 104 3.216 -13.443 6.960 797 HA LEU 104 HA LEU 104 0.651 -12.213 6.775 798 1HB LEU 104 HB2 LEU 104 2.285 -13.814 4.766 799 2HB LEU 104 HB3 LEU 104 0.696 -13.179 4.379 800 HG LEU 104 HG LEU 104 3.100 -11.483 5.144 801 1HD1 LEU 104 HD11 LEU 104 3.005 -10.793 2.759 802 2HD1 LEU 104 HD12 LEU 104 3.277 -12.537 2.911 803 3HD1 LEU 104 HD13 LEU 104 1.667 -11.923 2.479 804 1HD2 LEU 104 HD21 LEU 104 0.309 -10.646 4.231 805 2HD2 LEU 104 HD22 LEU 104 1.009 -10.355 5.832 806 3HD2 LEU 104 HD23 LEU 104 1.712 -9.564 4.431 Start of MODEL 20 1 1H MET 1 H1 MET 1 1.396 -1.727 1.807 2 2H MET 1 H2 MET 1 -0.249 -1.854 1.800 3 3H MET 1 H3 MET 1 0.622 -2.017 0.412 4 HA MET 1 HA MET 1 -0.443 0.078 0.391 5 1HB MET 1 HB2 MET 1 1.044 0.649 2.991 6 2HB MET 1 HB3 MET 1 0.179 1.831 2.005 7 1HG MET 1 HG2 MET 1 -1.287 1.292 3.735 8 2HG MET 1 HG3 MET 1 -1.919 0.450 2.325 9 1HE MET 1 HE1 MET 1 -2.914 -0.124 5.274 10 2HE MET 1 HE2 MET 1 -3.502 -0.993 3.836 11 3HE MET 1 HE3 MET 1 -2.968 -1.902 5.267 12 H ALA 2 H ALA 2 2.694 1.028 1.833 13 HA ALA 2 HA ALA 2 4.220 0.854 -0.602 14 1HB ALA 2 HB1 ALA 2 4.429 3.303 -0.913 15 2HB ALA 2 HB2 ALA 2 2.748 2.811 -1.137 16 3HB ALA 2 HB3 ALA 2 3.249 3.586 0.384 17 H ILE 3 H ILE 3 6.287 2.496 -0.026 18 HA ILE 3 HA ILE 3 7.148 1.917 2.720 19 HB ILE 3 HB ILE 3 8.378 3.582 0.496 20 1HG1 ILE 3 HG12 ILE 3 9.741 1.075 1.413 21 2HG1 ILE 3 HG13 ILE 3 8.215 0.797 0.590 22 1HG2 ILE 3 HG21 ILE 3 9.559 2.765 3.192 23 2HG2 ILE 3 HG22 ILE 3 10.495 3.447 1.844 24 3HG2 ILE 3 HG23 ILE 3 9.240 4.415 2.617 25 1HD1 ILE 3 HD11 ILE 3 10.484 2.472 -0.543 26 2HD1 ILE 3 HD12 ILE 3 10.098 0.794 -0.969 27 3HD1 ILE 3 HD13 ILE 3 8.928 2.087 -1.335 28 H VAL 4 H VAL 4 7.206 3.456 4.349 29 HA VAL 4 HA VAL 4 5.902 6.096 3.945 30 HB VAL 4 HB VAL 4 5.346 4.101 6.179 31 1HG1 VAL 4 HG11 VAL 4 3.345 5.524 6.650 32 2HG1 VAL 4 HG12 VAL 4 4.858 6.335 6.963 33 3HG1 VAL 4 HG13 VAL 4 3.947 6.710 5.474 34 1HG2 VAL 4 HG21 VAL 4 4.361 3.130 4.191 35 2HG2 VAL 4 HG22 VAL 4 3.061 3.824 5.148 36 3HG2 VAL 4 HG23 VAL 4 3.651 4.692 3.716 37 H LYS 5 H LYS 5 6.350 7.488 5.877 38 HA LYS 5 HA LYS 5 8.935 6.943 7.276 39 1HB LYS 5 HB2 LYS 5 8.424 9.005 5.360 40 2HB LYS 5 HB3 LYS 5 8.302 9.775 6.926 41 1HG LYS 5 HG2 LYS 5 10.654 8.177 5.836 42 2HG LYS 5 HG3 LYS 5 10.561 9.925 5.994 43 1HD LYS 5 HD2 LYS 5 10.876 7.847 8.166 44 2HD LYS 5 HD3 LYS 5 11.957 9.163 7.762 45 1HE LYS 5 HE2 LYS 5 9.173 9.485 8.925 46 2HE LYS 5 HE3 LYS 5 10.641 9.457 9.895 47 1HZ LYS 5 HZ1 LYS 5 10.036 11.514 7.831 48 2HZ LYS 5 HZ2 LYS 5 9.959 11.732 9.442 49 3HZ LYS 5 HZ3 LYS 5 11.397 11.459 8.734 50 H ALA 6 H ALA 6 8.693 7.082 9.437 51 HA ALA 6 HA ALA 6 6.217 8.354 10.535 52 1HB ALA 6 HB1 ALA 6 5.879 6.391 11.992 53 2HB ALA 6 HB2 ALA 6 5.805 5.922 10.288 54 3HB ALA 6 HB3 ALA 6 7.270 5.582 11.244 55 H THR 7 H THR 7 6.329 8.421 12.958 56 HA THR 7 HA THR 7 8.997 8.544 14.140 57 HB THR 7 HB THR 7 8.288 10.632 15.380 58 HG1 THR 7 HG1 THR 7 6.404 10.797 13.260 59 1HG2 THR 7 HG21 THR 7 9.957 10.772 13.569 60 2HG2 THR 7 HG22 THR 7 8.665 11.034 12.380 61 3HG2 THR 7 HG23 THR 7 8.962 12.232 13.662 62 H ASP 8 H ASP 8 8.662 8.674 16.590 63 HA ASP 8 HA ASP 8 7.132 6.626 17.573 64 1HB ASP 8 HB2 ASP 8 8.967 8.015 18.736 65 2HB ASP 8 HB3 ASP 8 7.701 9.153 19.161 66 H GLN 9 H GLN 9 6.060 9.859 16.893 67 HA GLN 9 HA GLN 9 3.728 10.136 18.424 68 1HB GLN 9 HB2 GLN 9 4.292 11.151 15.604 69 2HB GLN 9 HB3 GLN 9 3.100 11.810 16.723 70 1HG GLN 9 HG2 GLN 9 4.891 12.523 18.264 71 2HG GLN 9 HG3 GLN 9 6.120 11.836 17.194 72 1HE2 GLN 9 HE22 GLN 9 6.111 12.667 14.856 73 2HE2 GLN 9 HE21 GLN 9 5.807 14.382 14.646 74 H SER 10 H SER 10 4.262 8.354 15.405 75 HA SER 10 HA SER 10 1.393 7.522 15.344 76 1HB SER 10 HB2 SER 10 2.983 8.511 12.947 77 2HB SER 10 HB3 SER 10 1.275 8.047 12.981 78 HG SER 10 HG SER 10 1.561 10.317 13.066 79 H PHE 11 H PHE 11 4.611 6.466 15.293 80 HA PHE 11 HA PHE 11 4.745 4.504 13.362 81 1HB PHE 11 HB2 PHE 11 6.578 5.212 14.852 82 2HB PHE 11 HB3 PHE 11 5.786 4.458 16.229 83 HD1 PHE 11 HD1 PHE 11 7.547 3.859 13.017 84 HD2 PHE 11 HD2 PHE 11 5.932 2.044 16.583 85 HE1 PHE 11 HE1 PHE 11 8.763 1.777 12.503 86 HE2 PHE 11 HE2 PHE 11 7.141 -0.058 16.050 87 HZ PHE 11 HZ PHE 11 8.558 -0.201 14.025 88 H SER 12 H SER 12 3.142 4.235 16.580 89 HA SER 12 HA SER 12 2.533 1.482 16.452 90 1HB SER 12 HB2 SER 12 0.689 2.298 18.114 91 2HB SER 12 HB3 SER 12 2.394 2.483 18.554 92 HG SER 12 HG SER 12 1.184 4.399 18.925 93 H ALA 13 H ALA 13 0.685 4.343 15.384 94 HA ALA 13 HA ALA 13 -1.618 2.882 14.550 95 1HB ALA 13 HB1 ALA 13 -0.589 5.581 13.562 96 2HB ALA 13 HB2 ALA 13 -2.221 4.931 13.323 97 3HB ALA 13 HB3 ALA 13 -1.661 5.324 14.959 98 H GLU 14 H GLU 14 1.328 3.948 12.840 99 HA GLU 14 HA GLU 14 0.507 3.022 10.283 100 1HB GLU 14 HB2 GLU 14 3.274 3.521 11.459 101 2HB GLU 14 HB3 GLU 14 3.043 2.980 9.803 102 1HG GLU 14 HG2 GLU 14 2.015 5.576 11.000 103 2HG GLU 14 HG3 GLU 14 3.346 5.386 9.857 104 H THR 15 H THR 15 2.178 1.330 12.956 105 HA THR 15 HA THR 15 2.572 -1.031 11.358 106 HB THR 15 HB THR 15 3.508 -1.907 13.520 107 HG1 THR 15 HG1 THR 15 3.346 0.784 14.349 108 1HG2 THR 15 HG21 THR 15 5.501 -0.372 13.446 109 2HG2 THR 15 HG22 THR 15 5.004 -0.985 11.862 110 3HG2 THR 15 HG23 THR 15 4.617 0.681 12.334 111 H SER 16 H SER 16 -0.246 0.082 12.526 112 HA SER 16 HA SER 16 -1.187 -2.550 13.480 113 1HB SER 16 HB2 SER 16 -2.386 0.227 13.803 114 2HB SER 16 HB3 SER 16 -3.095 -1.278 14.419 115 HG SER 16 HG SER 16 -0.673 -0.020 15.182 116 H GLU 17 H GLU 17 -0.668 -2.049 10.678 117 HA GLU 17 HA GLU 17 -3.389 -2.551 9.592 118 1HB GLU 17 HB2 GLU 17 -1.356 -0.636 8.395 119 2HB GLU 17 HB3 GLU 17 -2.834 -1.209 7.599 120 1HG GLU 17 HG2 GLU 17 -4.151 -0.272 9.556 121 2HG GLU 17 HG3 GLU 17 -2.661 0.520 10.090 122 H GLY 18 H GLY 18 -2.247 -4.727 10.176 123 1HA GLY 18 HA2 GLY 18 -1.972 -6.741 9.006 124 2HA GLY 18 HA3 GLY 18 -1.431 -5.855 7.575 125 H VAL 19 H VAL 19 0.393 -7.318 7.464 126 HA VAL 19 HA VAL 19 2.475 -7.192 9.520 127 HB VAL 19 HB VAL 19 2.632 -8.165 6.632 128 1HG1 VAL 19 HG11 VAL 19 4.893 -7.523 7.424 129 2HG1 VAL 19 HG12 VAL 19 4.624 -8.393 8.947 130 3HG1 VAL 19 HG13 VAL 19 4.750 -9.283 7.421 131 1HG2 VAL 19 HG21 VAL 19 2.398 -9.693 9.266 132 2HG2 VAL 19 HG22 VAL 19 1.146 -9.588 8.007 133 3HG2 VAL 19 HG23 VAL 19 2.664 -10.423 7.669 134 H VAL 20 H VAL 20 4.075 -5.712 9.607 135 HA VAL 20 HA VAL 20 4.439 -3.755 7.421 136 HB VAL 20 HB VAL 20 4.099 -3.089 10.384 137 1HG1 VAL 20 HG11 VAL 20 4.135 -0.714 9.556 138 2HG1 VAL 20 HG12 VAL 20 5.670 -1.543 9.300 139 3HG1 VAL 20 HG13 VAL 20 4.552 -1.315 7.940 140 1HG2 VAL 20 HG21 VAL 20 1.878 -3.505 9.594 141 2HG2 VAL 20 HG22 VAL 20 2.042 -1.760 9.453 142 3HG2 VAL 20 HG23 VAL 20 2.193 -2.763 8.017 143 H LEU 21 H LEU 21 6.620 -3.228 7.200 144 HA LEU 21 HA LEU 21 8.529 -4.604 9.052 145 1HB LEU 21 HB2 LEU 21 8.386 -5.745 6.900 146 2HB LEU 21 HB3 LEU 21 8.664 -4.216 6.048 147 HG LEU 21 HG LEU 21 10.914 -4.055 7.249 148 1HD1 LEU 21 HD11 LEU 21 10.258 -6.871 8.064 149 2HD1 LEU 21 HD12 LEU 21 11.883 -6.178 8.077 150 3HD1 LEU 21 HD13 LEU 21 10.652 -5.471 9.126 151 1HD2 LEU 21 HD21 LEU 21 10.718 -4.811 4.913 152 2HD2 LEU 21 HD22 LEU 21 12.031 -5.647 5.747 153 3HD2 LEU 21 HD23 LEU 21 10.486 -6.487 5.469 154 H ALA 22 H ALA 22 9.202 -3.010 10.343 155 HA ALA 22 HA ALA 22 9.450 -0.261 9.357 156 1HB ALA 22 HB1 ALA 22 10.111 0.168 11.723 157 2HB ALA 22 HB2 ALA 22 8.505 -0.596 11.578 158 3HB ALA 22 HB3 ALA 22 9.919 -1.566 12.053 159 H ASP 23 H ASP 23 11.426 0.813 9.339 160 HA ASP 23 HA ASP 23 13.942 -0.783 9.355 161 1HB ASP 23 HB2 ASP 23 13.302 -0.569 7.045 162 2HB ASP 23 HB3 ASP 23 12.928 1.145 7.244 163 H PHE 24 H PHE 24 14.668 -0.061 11.212 164 HA PHE 24 HA PHE 24 14.610 2.743 12.077 165 1HB PHE 24 HB2 PHE 24 15.737 0.157 13.238 166 2HB PHE 24 HB3 PHE 24 16.044 1.737 13.933 167 HD1 PHE 24 HD1 PHE 24 14.584 2.548 15.601 168 HD2 PHE 24 HD2 PHE 24 13.129 -0.425 12.832 169 HE1 PHE 24 HE1 PHE 24 12.368 2.612 16.687 170 HE2 PHE 24 HE2 PHE 24 10.923 -0.358 13.943 171 HZ PHE 24 HZ PHE 24 10.507 1.204 15.809 172 H TRP 25 H TRP 25 15.990 4.107 11.183 173 HA TRP 25 HA TRP 25 18.687 3.319 10.444 174 1HB TRP 25 HB2 TRP 25 18.344 3.064 8.266 175 2HB TRP 25 HB3 TRP 25 16.629 3.086 8.538 176 HD1 TRP 25 HD1 TRP 25 19.281 4.824 6.679 177 HE1 TRP 25 HE1 TRP 25 18.363 6.880 5.472 178 HE3 TRP 25 HE3 TRP 25 14.863 5.355 9.179 179 HZ2 TRP 25 HZ2 TRP 25 16.272 8.821 5.898 180 HZ3 TRP 25 HZ3 TRP 25 13.486 7.405 8.854 181 HH2 TRP 25 HH2 TRP 25 14.211 9.158 7.237 182 H ALA 26 H ALA 26 19.510 5.573 9.131 183 HA ALA 26 HA ALA 26 18.239 7.957 10.076 184 1HB ALA 26 HB1 ALA 26 20.194 8.939 11.180 185 2HB ALA 26 HB2 ALA 26 19.721 7.482 12.053 186 3HB ALA 26 HB3 ALA 26 21.129 7.434 10.963 187 HA PRO 27 HA PRO 27 19.944 8.633 6.040 188 1HB PRO 27 HB2 PRO 27 20.047 11.368 5.765 189 2HB PRO 27 HB3 PRO 27 18.556 10.387 5.698 190 1HG PRO 27 HG2 PRO 27 19.679 11.930 8.057 191 2HG PRO 27 HG3 PRO 27 17.980 11.860 7.485 192 1HD PRO 27 HD2 PRO 27 18.898 10.347 9.576 193 2HD PRO 27 HD3 PRO 27 17.643 9.743 8.451 194 H TRP 28 H TRP 28 21.705 9.719 8.835 195 HA TRP 28 HA TRP 28 24.120 10.378 7.427 196 1HB TRP 28 HB2 TRP 28 24.247 9.480 10.251 197 2HB TRP 28 HB3 TRP 28 25.002 10.858 9.468 198 HD1 TRP 28 HD1 TRP 28 22.282 9.877 11.664 199 HE1 TRP 28 HE1 TRP 28 20.512 11.687 12.053 200 HE3 TRP 28 HE3 TRP 28 23.755 13.160 8.051 201 HZ2 TRP 28 HZ2 TRP 28 19.844 14.287 10.926 202 HZ3 TRP 28 HZ3 TRP 28 22.520 15.284 7.698 203 HH2 TRP 28 HH2 TRP 28 20.568 15.856 9.128 204 H CYS 29 H CYS 29 22.529 7.420 8.034 205 HA CYS 29 HA CYS 29 24.623 5.649 8.699 206 1HB CYS 29 HB2 CYS 29 22.111 5.296 8.889 207 2HB CYS 29 HB3 CYS 29 22.068 5.133 7.159 208 H GLY 30 H GLY 30 25.713 4.094 7.371 209 1HA GLY 30 HA2 GLY 30 26.014 4.775 4.475 210 2HA GLY 30 HA3 GLY 30 27.188 3.909 5.467 211 HA PRO 31 HA PRO 31 25.559 -0.052 4.454 212 1HB PRO 31 HB2 PRO 31 24.576 -0.482 7.283 213 2HB PRO 31 HB3 PRO 31 25.484 -1.611 6.235 214 1HG PRO 31 HG2 PRO 31 26.784 -0.202 8.136 215 2HG PRO 31 HG3 PRO 31 27.495 -0.327 6.494 216 1HD PRO 31 HD2 PRO 31 25.944 1.967 7.702 217 2HD PRO 31 HD3 PRO 31 27.427 2.005 6.701 218 H CYS 32 H CYS 32 23.191 1.844 6.364 219 HA CYS 32 HA CYS 32 20.838 0.491 5.634 220 1HB CYS 32 HB2 CYS 32 21.110 3.496 5.885 221 2HB CYS 32 HB3 CYS 32 19.675 2.522 6.127 222 H LYS 33 H LYS 33 22.827 2.778 3.741 223 HA LYS 33 HA LYS 33 20.842 3.290 1.731 224 1HB LYS 33 HB2 LYS 33 23.866 3.496 1.473 225 2HB LYS 33 HB3 LYS 33 22.666 4.324 0.493 226 1HG LYS 33 HG2 LYS 33 23.140 4.810 3.473 227 2HG LYS 33 HG3 LYS 33 23.791 5.779 2.160 228 1HD LYS 33 HD2 LYS 33 21.595 6.555 1.513 229 2HD LYS 33 HD3 LYS 33 20.794 5.407 2.587 230 1HE LYS 33 HE2 LYS 33 20.815 7.747 3.482 231 2HE LYS 33 HE3 LYS 33 21.523 6.544 4.563 232 1HZ LYS 33 HZ1 LYS 33 23.175 8.257 2.798 233 2HZ LYS 33 HZ2 LYS 33 22.790 8.639 4.346 234 3HZ LYS 33 HZ3 LYS 33 23.671 7.303 4.065 235 H MET 34 H MET 34 23.031 0.593 2.329 236 HA MET 34 HA MET 34 23.039 -0.395 -0.370 237 1HB MET 34 HB2 MET 34 23.443 -1.956 2.205 238 2HB MET 34 HB3 MET 34 23.897 -2.460 0.577 239 1HG MET 34 HG2 MET 34 25.469 -0.487 0.484 240 2HG MET 34 HG3 MET 34 25.099 -0.174 2.178 241 1HE MET 34 HE1 MET 34 26.470 -3.580 3.829 242 2HE MET 34 HE2 MET 34 25.263 -2.282 3.992 243 3HE MET 34 HE3 MET 34 24.947 -3.661 2.921 244 H ILE 35 H ILE 35 21.045 -1.013 2.557 245 HA ILE 35 HA ILE 35 19.487 -2.992 1.129 246 HB ILE 35 HB ILE 35 20.116 -3.326 3.460 247 1HG1 ILE 35 HG12 ILE 35 17.106 -3.268 3.041 248 2HG1 ILE 35 HG13 ILE 35 18.209 -4.507 2.434 249 1HG2 ILE 35 HG21 ILE 35 18.160 -1.093 4.122 250 2HG2 ILE 35 HG22 ILE 35 18.983 -2.147 5.294 251 3HG2 ILE 35 HG23 ILE 35 19.933 -1.051 4.311 252 1HD1 ILE 35 HD11 ILE 35 17.145 -5.345 4.404 253 2HD1 ILE 35 HD12 ILE 35 18.828 -5.010 4.836 254 3HD1 ILE 35 HD13 ILE 35 17.535 -3.896 5.338 255 H ALA 36 H ALA 36 19.135 0.473 1.749 256 HA ALA 36 HA ALA 36 16.440 0.841 1.543 257 1HB ALA 36 HB1 ALA 36 17.993 2.660 1.894 258 2HB ALA 36 HB2 ALA 36 18.605 2.528 0.234 259 3HB ALA 36 HB3 ALA 36 16.930 3.035 0.527 260 HA PRO 37 HA PRO 37 16.148 0.533 -3.199 261 1HB PRO 37 HB2 PRO 37 18.064 -0.805 -4.666 262 2HB PRO 37 HB3 PRO 37 18.069 0.962 -4.378 263 1HG PRO 37 HG2 PRO 37 19.573 -1.180 -2.846 264 2HG PRO 37 HG3 PRO 37 20.206 0.367 -3.495 265 1HD PRO 37 HD2 PRO 37 19.485 0.143 -0.910 266 2HD PRO 37 HD3 PRO 37 19.099 1.626 -1.825 267 H VAL 38 H VAL 38 17.552 -2.064 -1.251 268 HA VAL 38 HA VAL 38 16.211 -4.184 -2.665 269 HB VAL 38 HB VAL 38 17.277 -4.285 0.175 270 1HG1 VAL 38 HG11 VAL 38 15.928 -6.221 -0.599 271 2HG1 VAL 38 HG12 VAL 38 17.010 -6.412 -1.998 272 3HG1 VAL 38 HG13 VAL 38 17.618 -6.650 -0.334 273 1HG2 VAL 38 HG21 VAL 38 19.133 -3.452 -1.228 274 2HG2 VAL 38 HG22 VAL 38 19.402 -5.140 -0.806 275 3HG2 VAL 38 HG23 VAL 38 18.819 -4.719 -2.431 276 H LEU 39 H LEU 39 15.486 -2.094 0.204 277 HA LEU 39 HA LEU 39 12.954 -3.308 0.727 278 1HB LEU 39 HB2 LEU 39 14.026 -0.523 1.295 279 2HB LEU 39 HB3 LEU 39 12.441 -1.064 1.832 280 HG LEU 39 HG LEU 39 14.996 -2.547 2.533 281 1HD1 LEU 39 HD11 LEU 39 15.150 -0.272 3.407 282 2HD1 LEU 39 HD12 LEU 39 13.549 -0.423 4.164 283 3HD1 LEU 39 HD13 LEU 39 14.909 -1.426 4.727 284 1HD2 LEU 39 HD21 LEU 39 12.888 -3.864 2.778 285 2HD2 LEU 39 HD22 LEU 39 13.650 -3.539 4.339 286 3HD2 LEU 39 HD23 LEU 39 12.232 -2.597 3.832 287 H GLU 40 H GLU 40 13.910 -0.635 -1.494 288 HA GLU 40 HA GLU 40 11.263 -0.180 -2.443 289 1HB GLU 40 HB2 GLU 40 13.924 0.138 -3.871 290 2HB GLU 40 HB3 GLU 40 12.370 0.612 -4.556 291 1HG GLU 40 HG2 GLU 40 11.970 2.127 -2.634 292 2HG GLU 40 HG3 GLU 40 13.543 1.703 -1.964 293 H GLU 41 H GLU 41 13.694 -2.600 -3.499 294 HA GLU 41 HA GLU 41 12.047 -3.774 -5.502 295 1HB GLU 41 HB2 GLU 41 14.339 -4.818 -3.821 296 2HB GLU 41 HB3 GLU 41 13.458 -5.871 -4.913 297 1HG GLU 41 HG2 GLU 41 14.720 -3.272 -5.860 298 2HG GLU 41 HG3 GLU 41 15.603 -4.795 -5.793 299 H LEU 42 H LEU 42 12.313 -4.425 -2.003 300 HA LEU 42 HA LEU 42 10.519 -6.604 -1.904 301 1HB LEU 42 HB2 LEU 42 12.067 -5.903 -0.068 302 2HB LEU 42 HB3 LEU 42 11.066 -4.481 0.213 303 HG LEU 42 HG LEU 42 9.134 -5.971 0.780 304 1HD1 LEU 42 HD11 LEU 42 9.726 -8.017 -0.379 305 2HD1 LEU 42 HD12 LEU 42 11.240 -8.163 0.547 306 3HD1 LEU 42 HD13 LEU 42 9.664 -8.356 1.352 307 1HD2 LEU 42 HD21 LEU 42 10.444 -4.996 2.540 308 2HD2 LEU 42 HD22 LEU 42 10.105 -6.674 2.991 309 3HD2 LEU 42 HD23 LEU 42 11.708 -6.218 2.371 310 H ASP 43 H ASP 43 9.917 -3.069 -1.663 311 HA ASP 43 HA ASP 43 7.124 -3.185 -1.235 312 1HB ASP 43 HB2 ASP 43 8.546 -1.115 -1.090 313 2HB ASP 43 HB3 ASP 43 8.648 -1.111 -2.863 314 H GLN 44 H GLN 44 9.061 -3.205 -4.224 315 HA GLN 44 HA GLN 44 6.747 -3.299 -5.942 316 1HB GLN 44 HB2 GLN 44 9.710 -3.731 -6.426 317 2HB GLN 44 HB3 GLN 44 8.499 -3.741 -7.716 318 1HG GLN 44 HG2 GLN 44 7.859 -1.459 -7.288 319 2HG GLN 44 HG3 GLN 44 8.781 -1.384 -5.788 320 1HE2 GLN 44 HE22 GLN 44 11.096 -1.407 -5.881 321 2HE2 GLN 44 HE21 GLN 44 11.962 -0.888 -7.327 322 H GLU 45 H GLU 45 8.217 -5.727 -4.023 323 HA GLU 45 HA GLU 45 7.407 -7.978 -5.745 324 1HB GLU 45 HB2 GLU 45 8.883 -7.731 -3.123 325 2HB GLU 45 HB3 GLU 45 8.311 -9.280 -3.724 326 1HG GLU 45 HG2 GLU 45 10.003 -7.531 -5.521 327 2HG GLU 45 HG3 GLU 45 10.760 -8.444 -4.222 328 H MET 46 H MET 46 6.648 -6.678 -2.459 329 HA MET 46 HA MET 46 3.973 -7.993 -2.681 330 1HB MET 46 HB2 MET 46 5.760 -8.144 -0.236 331 2HB MET 46 HB3 MET 46 4.197 -8.932 -0.486 332 1HG MET 46 HG2 MET 46 5.299 -10.121 -2.492 333 2HG MET 46 HG3 MET 46 6.831 -9.537 -1.831 334 1HE MET 46 HE1 MET 46 7.325 -9.877 0.752 335 2HE MET 46 HE2 MET 46 5.673 -9.928 1.417 336 3HE MET 46 HE3 MET 46 6.789 -11.297 1.703 337 H GLY 47 H GLY 47 4.976 -4.996 -2.653 338 1HA GLY 47 HA2 GLY 47 3.990 -3.741 -0.348 339 2HA GLY 47 HA3 GLY 47 3.957 -3.073 -1.986 340 H ASP 48 H ASP 48 2.119 -5.644 -2.507 341 HA ASP 48 HA ASP 48 -0.442 -4.341 -2.127 342 1HB ASP 48 HB2 ASP 48 -0.019 -5.764 -4.078 343 2HB ASP 48 HB3 ASP 48 0.302 -7.148 -3.028 344 H LYS 49 H LYS 49 1.545 -6.675 -0.415 345 HA LYS 49 HA LYS 49 -0.608 -7.306 1.556 346 1HB LYS 49 HB2 LYS 49 2.067 -8.703 1.002 347 2HB LYS 49 HB3 LYS 49 0.853 -9.217 2.155 348 1HG LYS 49 HG2 LYS 49 0.572 -9.189 -0.878 349 2HG LYS 49 HG3 LYS 49 0.785 -10.599 0.149 350 1HD LYS 49 HD2 LYS 49 -1.661 -8.774 0.101 351 2HD LYS 49 HD3 LYS 49 -1.528 -10.383 -0.615 352 1HE LYS 49 HE2 LYS 49 -1.119 -11.359 1.643 353 2HE LYS 49 HE3 LYS 49 -1.301 -9.754 2.365 354 1HZ LYS 49 HZ1 LYS 49 -3.417 -11.203 0.878 355 2HZ LYS 49 HZ2 LYS 49 -3.351 -11.017 2.494 356 3HZ LYS 49 HZ3 LYS 49 -3.588 -9.718 1.541 357 H LEU 50 H LEU 50 2.530 -5.802 1.090 358 HA LEU 50 HA LEU 50 2.989 -5.652 4.007 359 1HB LEU 50 HB2 LEU 50 4.585 -6.859 2.501 360 2HB LEU 50 HB3 LEU 50 4.826 -5.378 1.588 361 HG LEU 50 HG LEU 50 5.869 -4.297 3.554 362 1HD1 LEU 50 HD11 LEU 50 4.739 -5.474 5.409 363 2HD1 LEU 50 HD12 LEU 50 5.469 -7.006 4.900 364 3HD1 LEU 50 HD13 LEU 50 6.480 -5.689 5.528 365 1HD2 LEU 50 HD21 LEU 50 7.048 -6.981 2.783 366 2HD2 LEU 50 HD22 LEU 50 7.239 -5.436 1.932 367 3HD2 LEU 50 HD23 LEU 50 7.926 -5.634 3.553 368 H LYS 51 H LYS 51 3.942 -3.729 4.898 369 HA LYS 51 HA LYS 51 3.882 -1.230 3.308 370 1HB LYS 51 HB2 LYS 51 1.884 -1.201 4.840 371 2HB LYS 51 HB3 LYS 51 2.944 -1.580 6.198 372 1HG LYS 51 HG2 LYS 51 4.212 0.602 5.647 373 2HG LYS 51 HG3 LYS 51 2.888 0.985 4.553 374 1HD LYS 51 HD2 LYS 51 2.653 0.447 7.551 375 2HD LYS 51 HD3 LYS 51 2.745 2.043 6.805 376 1HE LYS 51 HE2 LYS 51 0.634 1.576 5.554 377 2HE LYS 51 HE3 LYS 51 0.513 0.004 6.372 378 1HZ LYS 51 HZ1 LYS 51 0.428 1.191 8.477 379 2HZ LYS 51 HZ2 LYS 51 0.561 2.645 7.720 380 3HZ LYS 51 HZ3 LYS 51 -0.789 1.729 7.501 381 H ILE 52 H ILE 52 5.777 0.017 3.832 382 HA ILE 52 HA ILE 52 7.702 -1.334 5.666 383 HB ILE 52 HB ILE 52 8.266 0.020 3.013 384 1HG1 ILE 52 HG12 ILE 52 8.644 -2.883 3.884 385 2HG1 ILE 52 HG13 ILE 52 7.375 -2.293 2.812 386 1HG2 ILE 52 HG21 ILE 52 10.031 0.554 4.682 387 2HG2 ILE 52 HG22 ILE 52 10.251 -1.183 4.995 388 3HG2 ILE 52 HG23 ILE 52 10.643 -0.482 3.409 389 1HD1 ILE 52 HD11 ILE 52 9.149 -1.523 1.201 390 2HD1 ILE 52 HD12 ILE 52 10.337 -2.398 2.197 391 3HD1 ILE 52 HD13 ILE 52 9.010 -3.275 1.422 392 H VAL 53 H VAL 53 8.651 0.106 7.168 393 HA VAL 53 HA VAL 53 7.668 2.944 7.028 394 HB VAL 53 HB VAL 53 7.419 1.009 9.366 395 1HG1 VAL 53 HG11 VAL 53 6.318 2.911 10.543 396 2HG1 VAL 53 HG12 VAL 53 8.016 3.257 10.216 397 3HG1 VAL 53 HG13 VAL 53 6.758 3.987 9.195 398 1HG2 VAL 53 HG21 VAL 53 5.009 1.471 9.159 399 2HG2 VAL 53 HG22 VAL 53 5.307 2.488 7.738 400 3HG2 VAL 53 HG23 VAL 53 5.641 0.750 7.675 401 H LYS 54 H LYS 54 9.564 3.985 6.616 402 HA LYS 54 HA LYS 54 12.050 3.247 7.989 403 1HB LYS 54 HB2 LYS 54 11.336 5.790 6.464 404 2HB LYS 54 HB3 LYS 54 12.960 5.283 6.963 405 1HG LYS 54 HG2 LYS 54 12.701 3.212 5.553 406 2HG LYS 54 HG3 LYS 54 11.192 3.874 4.917 407 1HD LYS 54 HD2 LYS 54 13.945 5.164 4.677 408 2HD LYS 54 HD3 LYS 54 13.111 4.249 3.410 409 1HE LYS 54 HE2 LYS 54 11.242 5.917 3.461 410 2HE LYS 54 HE3 LYS 54 12.135 6.855 4.666 411 1HZ LYS 54 HZ1 LYS 54 13.075 6.299 1.910 412 2HZ LYS 54 HZ2 LYS 54 12.486 7.721 2.441 413 3HZ LYS 54 HZ3 LYS 54 13.901 7.162 3.027 414 H ILE 55 H ILE 55 12.840 4.205 9.884 415 HA ILE 55 HA ILE 55 11.484 6.601 10.912 416 HB ILE 55 HB ILE 55 10.183 4.889 11.913 417 1HG1 ILE 55 HG12 ILE 55 12.103 5.913 14.036 418 2HG1 ILE 55 HG13 ILE 55 10.910 6.924 13.215 419 1HG2 ILE 55 HG21 ILE 55 11.743 2.951 11.756 420 2HG2 ILE 55 HG22 ILE 55 12.685 3.631 13.099 421 3HG2 ILE 55 HG23 ILE 55 11.011 3.109 13.347 422 1HD1 ILE 55 HD11 ILE 55 9.080 5.482 14.055 423 2HD1 ILE 55 HD12 ILE 55 10.274 4.510 14.952 424 3HD1 ILE 55 HD13 ILE 55 10.025 6.211 15.362 425 H ASP 56 H ASP 56 12.895 8.025 11.594 426 HA ASP 56 HA ASP 56 15.735 7.432 11.295 427 1HB ASP 56 HB2 ASP 56 14.850 9.414 10.253 428 2HB ASP 56 HB3 ASP 56 14.231 10.007 11.798 429 H VAL 57 H VAL 57 16.702 6.503 13.062 430 HA VAL 57 HA VAL 57 15.606 6.599 15.668 431 HB VAL 57 HB VAL 57 17.641 5.513 16.418 432 1HG1 VAL 57 HG11 VAL 57 16.817 4.411 13.702 433 2HG1 VAL 57 HG12 VAL 57 17.475 3.511 15.086 434 3HG1 VAL 57 HG13 VAL 57 15.870 4.262 15.192 435 1HG2 VAL 57 HG21 VAL 57 19.509 4.980 14.913 436 2HG2 VAL 57 HG22 VAL 57 18.803 5.992 13.640 437 3HG2 VAL 57 HG23 VAL 57 19.379 6.726 15.150 438 H ASP 58 H ASP 58 17.688 8.952 14.065 439 HA ASP 58 HA ASP 58 18.933 9.991 16.437 440 1HB ASP 58 HB2 ASP 58 19.773 10.371 14.132 441 2HB ASP 58 HB3 ASP 58 18.357 11.376 13.795 442 H GLU 59 H GLU 59 15.711 10.281 15.199 443 HA GLU 59 HA GLU 59 15.096 12.469 17.152 444 1HB GLU 59 HB2 GLU 59 13.777 11.791 14.494 445 2HB GLU 59 HB3 GLU 59 13.192 13.003 15.643 446 1HG GLU 59 HG2 GLU 59 15.444 14.164 15.435 447 2HG GLU 59 HG3 GLU 59 15.798 13.090 14.079 448 H ASN 60 H ASN 60 15.004 9.221 16.931 449 HA ASN 60 HA ASN 60 12.362 8.927 18.277 450 1HB ASN 60 HB2 ASN 60 13.250 7.332 15.842 451 2HB ASN 60 HB3 ASN 60 11.877 6.938 16.868 452 1HD2 ASN 60 HD22 ASN 60 12.995 9.035 14.320 453 2HD2 ASN 60 HD21 ASN 60 11.481 9.887 14.084 454 H GLN 61 H GLN 61 14.885 9.050 19.448 455 HA GLN 61 HA GLN 61 16.145 6.587 19.969 456 1HB GLN 61 HB2 GLN 61 15.726 9.047 21.716 457 2HB GLN 61 HB3 GLN 61 16.757 7.695 22.181 458 1HG GLN 61 HG2 GLN 61 17.157 9.319 19.632 459 2HG GLN 61 HG3 GLN 61 17.977 9.643 21.156 460 1HE2 GLN 61 HE22 GLN 61 17.957 7.675 18.299 461 2HE2 GLN 61 HE21 GLN 61 19.329 6.657 18.720 462 H GLU 62 H GLU 62 13.100 7.936 21.284 463 HA GLU 62 HA GLU 62 12.816 6.055 23.397 464 1HB GLU 62 HB2 GLU 62 10.712 7.595 21.804 465 2HB GLU 62 HB3 GLU 62 10.389 6.707 23.293 466 1HG GLU 62 HG2 GLU 62 12.253 9.107 23.024 467 2HG GLU 62 HG3 GLU 62 10.623 9.134 23.677 468 H THR 63 H THR 63 11.541 5.992 19.980 469 HA THR 63 HA THR 63 10.231 3.506 20.305 470 HB THR 63 HB THR 63 11.304 4.382 17.677 471 HG1 THR 63 HG1 THR 63 9.229 5.749 19.054 472 1HG2 THR 63 HG21 THR 63 9.034 3.862 16.872 473 2HG2 THR 63 HG22 THR 63 9.724 2.493 17.747 474 3HG2 THR 63 HG23 THR 63 8.513 3.518 18.535 475 H ALA 64 H ALA 64 13.510 4.378 19.146 476 HA ALA 64 HA ALA 64 14.399 1.753 18.515 477 1HB ALA 64 HB1 ALA 64 16.687 2.755 18.879 478 2HB ALA 64 HB2 ALA 64 15.646 3.789 17.881 479 3HB ALA 64 HB3 ALA 64 15.929 4.181 19.590 480 H GLY 65 H GLY 65 14.613 3.581 21.624 481 1HA GLY 65 HA2 GLY 65 15.831 1.541 23.158 482 2HA GLY 65 HA3 GLY 65 14.834 2.875 23.771 483 H LYS 66 H LYS 66 12.461 2.034 22.206 484 HA LYS 66 HA LYS 66 11.053 0.471 24.024 485 1HB LYS 66 HB2 LYS 66 10.431 1.964 21.874 486 2HB LYS 66 HB3 LYS 66 10.229 0.370 21.169 487 1HG LYS 66 HG2 LYS 66 8.670 -0.264 22.966 488 2HG LYS 66 HG3 LYS 66 8.988 1.243 23.841 489 1HD LYS 66 HD2 LYS 66 7.773 1.086 21.081 490 2HD LYS 66 HD3 LYS 66 6.846 1.213 22.592 491 1HE LYS 66 HE2 LYS 66 7.861 3.399 23.090 492 2HE LYS 66 HE3 LYS 66 8.900 3.274 21.679 493 1HZ LYS 66 HZ1 LYS 66 5.997 3.717 21.708 494 2HZ LYS 66 HZ2 LYS 66 7.175 4.630 21.001 495 3HZ LYS 66 HZ3 LYS 66 6.757 3.195 20.355 496 H TYR 67 H TYR 67 13.040 -0.585 21.271 497 HA TYR 67 HA TYR 67 12.544 -3.424 22.091 498 1HB TYR 67 HB2 TYR 67 13.472 -2.715 19.341 499 2HB TYR 67 HB3 TYR 67 12.556 -4.111 19.882 500 HD1 TYR 67 HD1 TYR 67 12.455 -0.859 18.375 501 HD2 TYR 67 HD2 TYR 67 10.057 -3.630 20.655 502 HE1 TYR 67 HE1 TYR 67 10.467 0.431 17.823 503 HE2 TYR 67 HE2 TYR 67 8.017 -2.360 20.053 504 HH TYR 67 HH TYR 67 7.158 -0.499 18.944 505 H GLY 68 H GLY 68 14.751 -1.208 22.723 506 1HA GLY 68 HA2 GLY 68 16.965 -1.220 23.225 507 2HA GLY 68 HA3 GLY 68 16.931 -2.985 23.093 508 H VAL 69 H VAL 69 16.122 -0.809 20.371 509 HA VAL 69 HA VAL 69 18.154 -1.936 18.632 510 HB VAL 69 HB VAL 69 16.491 0.603 18.356 511 1HG1 VAL 69 HG11 VAL 69 18.401 0.665 16.838 512 2HG1 VAL 69 HG12 VAL 69 18.052 -0.983 16.281 513 3HG1 VAL 69 HG13 VAL 69 16.929 0.346 15.920 514 1HG2 VAL 69 HG21 VAL 69 14.979 -1.275 18.529 515 2HG2 VAL 69 HG22 VAL 69 15.036 -0.752 16.851 516 3HG2 VAL 69 HG23 VAL 69 15.925 -2.211 17.350 517 H MET 70 H MET 70 20.247 -1.381 18.596 518 HA MET 70 HA MET 70 21.158 1.216 19.730 519 1HB MET 70 HB2 MET 70 21.240 -0.772 21.339 520 2HB MET 70 HB3 MET 70 22.454 -1.484 20.270 521 1HG MET 70 HG2 MET 70 23.957 0.421 20.703 522 2HG MET 70 HG3 MET 70 22.679 1.250 21.593 523 1HE MET 70 HE1 MET 70 25.053 -2.444 23.104 524 2HE MET 70 HE2 MET 70 23.880 -2.595 21.782 525 3HE MET 70 HE3 MET 70 25.342 -1.605 21.565 526 H SER 71 H SER 71 20.975 -0.580 16.991 527 HA SER 71 HA SER 71 23.337 0.577 15.767 528 1HB SER 71 HB2 SER 71 22.677 -2.401 15.567 529 2HB SER 71 HB3 SER 71 23.987 -1.560 14.725 530 HG SER 71 HG SER 71 24.713 -2.684 16.586 531 H ILE 72 H ILE 72 23.062 0.392 13.329 532 HA ILE 72 HA ILE 72 20.380 -0.250 12.392 533 HB ILE 72 HB ILE 72 20.204 1.890 11.152 534 1HG1 ILE 72 HG12 ILE 72 22.359 2.970 13.018 535 2HG1 ILE 72 HG13 ILE 72 22.619 2.577 11.316 536 1HG2 ILE 72 HG21 ILE 72 19.173 3.124 12.936 537 2HG2 ILE 72 HG22 ILE 72 18.982 1.412 13.308 538 3HG2 ILE 72 HG23 ILE 72 20.214 2.366 14.154 539 1HD1 ILE 72 HD11 ILE 72 20.897 4.222 10.659 540 2HD1 ILE 72 HD12 ILE 72 20.702 4.699 12.361 541 3HD1 ILE 72 HD13 ILE 72 22.250 4.957 11.538 542 HA PRO 73 HA PRO 73 19.472 0.241 9.973 543 1HB PRO 73 HB2 PRO 73 18.965 -1.680 8.098 544 2HB PRO 73 HB3 PRO 73 19.672 -0.090 7.701 545 1HG PRO 73 HG2 PRO 73 21.103 -2.727 8.111 546 2HG PRO 73 HG3 PRO 73 21.350 -1.532 6.803 547 1HD PRO 73 HD2 PRO 73 22.966 -1.641 9.007 548 2HD PRO 73 HD3 PRO 73 22.553 -0.087 8.228 549 H THR 74 H THR 74 17.831 -0.720 11.100 550 HA THR 74 HA THR 74 18.105 -3.592 11.844 551 HB THR 74 HB THR 74 17.555 -1.263 13.722 552 HG1 THR 74 HG1 THR 74 19.531 -1.629 14.255 553 1HG2 THR 74 HG21 THR 74 15.985 -2.971 14.368 554 2HG2 THR 74 HG22 THR 74 17.183 -4.261 14.154 555 3HG2 THR 74 HG23 THR 74 17.354 -3.093 15.479 556 H LEU 75 H LEU 75 16.194 -4.695 11.830 557 HA LEU 75 HA LEU 75 13.937 -3.289 10.502 558 1HB LEU 75 HB2 LEU 75 15.087 -6.076 10.149 559 2HB LEU 75 HB3 LEU 75 13.542 -5.576 9.481 560 HG LEU 75 HG LEU 75 16.205 -4.261 8.775 561 1HD1 LEU 75 HD11 LEU 75 16.173 -6.603 8.047 562 2HD1 LEU 75 HD12 LEU 75 14.594 -6.364 7.268 563 3HD1 LEU 75 HD13 LEU 75 16.035 -5.519 6.659 564 1HD2 LEU 75 HD21 LEU 75 13.446 -4.051 7.478 565 2HD2 LEU 75 HD22 LEU 75 14.281 -2.773 8.379 566 3HD2 LEU 75 HD23 LEU 75 14.946 -3.335 6.844 567 H LEU 76 H LEU 76 11.979 -3.546 11.488 568 HA LEU 76 HA LEU 76 11.728 -5.558 13.714 569 1HB LEU 76 HB2 LEU 76 10.907 -2.629 13.638 570 2HB LEU 76 HB3 LEU 76 9.979 -3.793 14.554 571 HG LEU 76 HG LEU 76 11.552 -2.427 15.910 572 1HD1 LEU 76 HD11 LEU 76 10.720 -4.553 16.758 573 2HD1 LEU 76 HD12 LEU 76 12.021 -5.439 15.935 574 3HD1 LEU 76 HD13 LEU 76 12.400 -4.322 17.261 575 1HD2 LEU 76 HD21 LEU 76 13.777 -4.096 14.683 576 2HD2 LEU 76 HD22 LEU 76 13.435 -2.420 14.231 577 3HD2 LEU 76 HD23 LEU 76 13.911 -2.811 15.896 578 H VAL 77 H VAL 77 10.087 -6.920 13.200 579 HA VAL 77 HA VAL 77 8.375 -6.107 10.898 580 HB VAL 77 HB VAL 77 8.632 -8.945 11.815 581 1HG1 VAL 77 HG11 VAL 77 8.225 -9.348 9.396 582 2HG1 VAL 77 HG12 VAL 77 6.997 -8.266 10.079 583 3HG1 VAL 77 HG13 VAL 77 8.310 -7.595 9.089 584 1HG2 VAL 77 HG21 VAL 77 10.756 -7.569 10.124 585 2HG2 VAL 77 HG22 VAL 77 10.996 -8.433 11.640 586 3HG2 VAL 77 HG23 VAL 77 10.507 -9.326 10.201 587 H LEU 78 H LEU 78 6.314 -5.693 11.460 588 HA LEU 78 HA LEU 78 5.402 -6.557 14.150 589 1HB LEU 78 HB2 LEU 78 4.833 -3.891 12.771 590 2HB LEU 78 HB3 LEU 78 4.111 -4.465 14.264 591 HG LEU 78 HG LEU 78 6.733 -4.690 14.961 592 1HD1 LEU 78 HD11 LEU 78 7.961 -2.687 14.206 593 2HD1 LEU 78 HD12 LEU 78 7.611 -3.784 12.863 594 3HD1 LEU 78 HD13 LEU 78 6.660 -2.315 13.063 595 1HD2 LEU 78 HD21 LEU 78 6.507 -2.588 16.179 596 2HD2 LEU 78 HD22 LEU 78 5.131 -2.115 15.168 597 3HD2 LEU 78 HD23 LEU 78 5.003 -3.512 16.254 598 H LYS 79 H LYS 79 3.141 -6.980 14.263 599 HA LYS 79 HA LYS 79 1.681 -6.929 11.693 600 1HB LYS 79 HB2 LYS 79 2.549 -9.247 11.938 601 2HB LYS 79 HB3 LYS 79 1.705 -9.375 13.500 602 1HG LYS 79 HG2 LYS 79 -0.454 -9.028 12.398 603 2HG LYS 79 HG3 LYS 79 0.359 -8.767 10.839 604 1HD LYS 79 HD2 LYS 79 1.211 -11.095 10.911 605 2HD LYS 79 HD3 LYS 79 0.361 -11.358 12.450 606 1HE LYS 79 HE2 LYS 79 -1.804 -10.919 11.358 607 2HE LYS 79 HE3 LYS 79 -0.986 -10.514 9.842 608 1HZ LYS 79 HZ1 LYS 79 -1.822 -12.764 9.790 609 2HZ LYS 79 HZ2 LYS 79 -0.186 -12.788 9.721 610 3HZ LYS 79 HZ3 LYS 79 -0.965 -13.186 11.113 611 H ASP 80 H ASP 80 -0.078 -5.798 12.027 612 HA ASP 80 HA ASP 80 -1.818 -4.754 12.995 613 1HB ASP 80 HB2 ASP 80 -2.642 -7.057 12.735 614 2HB ASP 80 HB3 ASP 80 -2.150 -7.427 14.389 615 H GLY 81 H GLY 81 0.617 -4.137 14.242 616 1HA GLY 81 HA2 GLY 81 0.924 -2.467 15.788 617 2HA GLY 81 HA3 GLY 81 -0.466 -3.013 16.721 618 H GLU 82 H GLU 82 1.518 -5.780 16.228 619 HA GLU 82 HA GLU 82 3.132 -5.166 18.664 620 1HB GLU 82 HB2 GLU 82 2.732 -7.247 19.559 621 2HB GLU 82 HB3 GLU 82 1.152 -6.765 18.942 622 1HG GLU 82 HG2 GLU 82 1.563 -8.229 16.923 623 2HG GLU 82 HG3 GLU 82 3.076 -8.761 17.643 624 H VAL 83 H VAL 83 5.287 -5.982 18.676 625 HA VAL 83 HA VAL 83 6.535 -6.469 16.083 626 HB VAL 83 HB VAL 83 7.624 -6.826 18.906 627 1HG1 VAL 83 HG11 VAL 83 9.848 -6.691 17.799 628 2HG1 VAL 83 HG12 VAL 83 8.942 -8.094 17.239 629 3HG1 VAL 83 HG13 VAL 83 9.055 -6.652 16.208 630 1HG2 VAL 83 HG21 VAL 83 7.009 -4.456 18.479 631 2HG2 VAL 83 HG22 VAL 83 8.758 -4.675 18.540 632 3HG2 VAL 83 HG23 VAL 83 7.956 -4.485 16.975 633 H VAL 84 H VAL 84 6.676 -8.306 15.072 634 HA VAL 84 HA VAL 84 6.212 -10.846 16.545 635 HB VAL 84 HB VAL 84 5.268 -11.734 14.490 636 1HG1 VAL 84 HG11 VAL 84 3.117 -10.732 14.621 637 2HG1 VAL 84 HG12 VAL 84 3.819 -10.737 16.241 638 3HG1 VAL 84 HG13 VAL 84 3.772 -9.230 15.299 639 1HG2 VAL 84 HG21 VAL 84 6.368 -10.196 12.826 640 2HG2 VAL 84 HG22 VAL 84 4.614 -10.311 12.610 641 3HG2 VAL 84 HG23 VAL 84 5.315 -8.887 13.388 642 H GLU 85 H GLU 85 8.556 -9.018 14.605 643 HA GLU 85 HA GLU 85 10.429 -11.177 15.174 644 1HB GLU 85 HB2 GLU 85 9.275 -10.957 12.492 645 2HB GLU 85 HB3 GLU 85 10.991 -10.635 12.425 646 1HG GLU 85 HG2 GLU 85 9.848 -13.123 13.748 647 2HG GLU 85 HG3 GLU 85 10.280 -13.009 12.048 648 H THR 86 H THR 86 12.715 -10.505 14.512 649 HA THR 86 HA THR 86 13.087 -7.634 13.974 650 HB THR 86 HB THR 86 14.379 -9.040 16.340 651 HG1 THR 86 HG1 THR 86 11.960 -7.912 16.119 652 1HG2 THR 86 HG21 THR 86 15.001 -6.721 17.052 653 2HG2 THR 86 HG22 THR 86 15.773 -7.218 15.541 654 3HG2 THR 86 HG23 THR 86 14.385 -6.116 15.498 655 H SER 87 H SER 87 15.022 -7.275 12.861 656 HA SER 87 HA SER 87 17.048 -9.404 12.635 657 1HB SER 87 HB2 SER 87 15.635 -8.192 10.214 658 2HB SER 87 HB3 SER 87 17.046 -9.258 10.169 659 HG SER 87 HG SER 87 15.143 -10.428 9.823 660 H VAL 88 H VAL 88 19.100 -8.495 11.743 661 HA VAL 88 HA VAL 88 19.269 -5.528 11.938 662 HB VAL 88 HB VAL 88 21.078 -7.523 13.346 663 1HG1 VAL 88 HG11 VAL 88 20.969 -4.476 13.455 664 2HG1 VAL 88 HG12 VAL 88 21.980 -5.500 14.496 665 3HG1 VAL 88 HG13 VAL 88 22.273 -5.463 12.759 666 1HG2 VAL 88 HG21 VAL 88 18.936 -5.716 14.549 667 2HG2 VAL 88 HG22 VAL 88 18.919 -7.491 14.541 668 3HG2 VAL 88 HG23 VAL 88 20.137 -6.634 15.476 669 H GLY 89 H GLY 89 20.858 -4.620 10.588 670 1HA GLY 89 HA2 GLY 89 22.574 -4.531 9.059 671 2HA GLY 89 HA3 GLY 89 22.862 -6.260 9.264 672 H PHE 90 H PHE 90 23.183 -5.775 6.837 673 HA PHE 90 HA PHE 90 20.985 -5.339 5.096 674 1HB PHE 90 HB2 PHE 90 23.360 -5.023 4.498 675 2HB PHE 90 HB3 PHE 90 23.646 -6.752 4.650 676 HD1 PHE 90 HD1 PHE 90 22.853 -8.334 2.922 677 HD2 PHE 90 HD2 PHE 90 22.160 -4.089 2.565 678 HE1 PHE 90 HE1 PHE 90 22.202 -8.637 0.547 679 HE2 PHE 90 HE2 PHE 90 21.530 -4.400 0.183 680 HZ PHE 90 HZ PHE 90 21.537 -6.672 -0.824 681 H LYS 91 H LYS 91 19.771 -6.804 3.808 682 HA LYS 91 HA LYS 91 20.223 -9.649 3.938 683 1HB LYS 91 HB2 LYS 91 17.664 -8.418 5.059 684 2HB LYS 91 HB3 LYS 91 17.600 -9.927 4.166 685 1HG LYS 91 HG2 LYS 91 17.939 -10.937 6.120 686 2HG LYS 91 HG3 LYS 91 19.630 -10.553 5.857 687 1HD LYS 91 HD2 LYS 91 19.045 -8.313 7.179 688 2HD LYS 91 HD3 LYS 91 17.585 -9.193 7.638 689 1HE LYS 91 HE2 LYS 91 19.026 -9.786 9.388 690 2HE LYS 91 HE3 LYS 91 19.232 -11.140 8.273 691 1HZ LYS 91 HZ1 LYS 91 21.392 -10.539 8.753 692 2HZ LYS 91 HZ2 LYS 91 21.176 -9.608 7.404 693 3HZ LYS 91 HZ3 LYS 91 21.056 -8.949 8.907 694 HA PRO 92 HA PRO 92 18.968 -8.685 -0.260 695 1HB PRO 92 HB2 PRO 92 18.690 -11.189 -1.331 696 2HB PRO 92 HB3 PRO 92 20.280 -10.494 -0.896 697 1HG PRO 92 HG2 PRO 92 18.564 -12.382 0.746 698 2HG PRO 92 HG3 PRO 92 20.313 -12.518 0.375 699 1HD PRO 92 HD2 PRO 92 19.407 -11.449 2.719 700 2HD PRO 92 HD3 PRO 92 20.865 -10.813 1.904 701 H LYS 93 H LYS 93 17.083 -8.891 -1.681 702 HA LYS 93 HA LYS 93 14.662 -8.574 -0.307 703 1HB LYS 93 HB2 LYS 93 13.596 -8.520 -2.522 704 2HB LYS 93 HB3 LYS 93 15.035 -7.522 -2.420 705 1HG LYS 93 HG2 LYS 93 16.273 -9.577 -3.515 706 2HG LYS 93 HG3 LYS 93 14.636 -10.132 -3.913 707 1HD LYS 93 HD2 LYS 93 14.227 -7.928 -5.037 708 2HD LYS 93 HD3 LYS 93 15.906 -7.455 -4.651 709 1HE LYS 93 HE2 LYS 93 16.620 -9.570 -5.931 710 2HE LYS 93 HE3 LYS 93 14.932 -9.733 -6.435 711 1HZ LYS 93 HZ1 LYS 93 16.771 -7.512 -7.099 712 2HZ LYS 93 HZ2 LYS 93 16.109 -8.582 -8.132 713 3HZ LYS 93 HZ3 LYS 93 15.166 -7.443 -7.418 714 H GLU 94 H GLU 94 15.939 -11.544 -1.740 715 HA GLU 94 HA GLU 94 13.519 -13.040 -1.555 716 1HB GLU 94 HB2 GLU 94 15.504 -13.738 -2.856 717 2HB GLU 94 HB3 GLU 94 16.412 -13.988 -1.358 718 1HG GLU 94 HG2 GLU 94 14.808 -15.752 -0.672 719 2HG GLU 94 HG3 GLU 94 13.842 -15.452 -2.119 720 H ALA 95 H ALA 95 16.261 -12.619 0.771 721 HA ALA 95 HA ALA 95 15.121 -14.255 2.805 722 1HB ALA 95 HB1 ALA 95 16.788 -13.186 4.281 723 2HB ALA 95 HB2 ALA 95 17.522 -13.691 2.746 724 3HB ALA 95 HB3 ALA 95 17.131 -11.976 3.030 725 H LEU 96 H LEU 96 14.914 -10.763 2.091 726 HA LEU 96 HA LEU 96 13.386 -10.054 4.381 727 1HB LEU 96 HB2 LEU 96 13.427 -8.858 1.595 728 2HB LEU 96 HB3 LEU 96 12.594 -8.145 2.970 729 HG LEU 96 HG LEU 96 15.606 -8.577 2.813 730 1HD1 LEU 96 HD11 LEU 96 15.789 -6.193 2.527 731 2HD1 LEU 96 HD12 LEU 96 14.684 -6.800 1.289 732 3HD1 LEU 96 HD13 LEU 96 14.037 -5.974 2.720 733 1HD2 LEU 96 HD21 LEU 96 13.882 -7.251 4.942 734 2HD2 LEU 96 HD22 LEU 96 14.913 -8.689 5.135 735 3HD2 LEU 96 HD23 LEU 96 15.649 -7.117 4.840 736 H GLN 97 H GLN 97 12.307 -11.130 1.123 737 HA GLN 97 HA GLN 97 9.534 -10.931 1.743 738 1HB GLN 97 HB2 GLN 97 11.114 -12.648 -0.233 739 2HB GLN 97 HB3 GLN 97 9.366 -12.849 -0.052 740 1HG GLN 97 HG2 GLN 97 8.924 -10.587 -0.679 741 2HG GLN 97 HG3 GLN 97 10.642 -10.171 -0.636 742 1HE2 GLN 97 HE22 GLN 97 11.977 -10.682 -2.369 743 2HE2 GLN 97 HE21 GLN 97 11.266 -11.068 -3.946 744 H GLU 98 H GLU 98 11.891 -13.572 2.235 745 HA GLU 98 HA GLU 98 9.962 -15.438 3.194 746 1HB GLU 98 HB2 GLU 98 12.963 -15.201 3.590 747 2HB GLU 98 HB3 GLU 98 12.037 -16.502 4.328 748 1HG GLU 98 HG2 GLU 98 12.048 -15.951 1.330 749 2HG GLU 98 HG3 GLU 98 13.142 -17.070 2.132 750 H LEU 99 H LEU 99 11.912 -12.991 4.914 751 HA LEU 99 HA LEU 99 11.145 -13.616 7.552 752 1HB LEU 99 HB2 LEU 99 13.043 -12.213 6.951 753 2HB LEU 99 HB3 LEU 99 11.996 -11.071 6.121 754 HG LEU 99 HG LEU 99 10.914 -10.478 8.249 755 1HD1 LEU 99 HD11 LEU 99 13.061 -12.308 9.423 756 2HD1 LEU 99 HD12 LEU 99 12.140 -11.129 10.376 757 3HD1 LEU 99 HD13 LEU 99 11.299 -12.475 9.595 758 1HD2 LEU 99 HD21 LEU 99 12.880 -9.171 9.090 759 2HD2 LEU 99 HD22 LEU 99 13.934 -10.165 8.050 760 3HD2 LEU 99 HD23 LEU 99 12.698 -9.120 7.329 761 H VAL 100 H VAL 100 9.670 -11.361 5.131 762 HA VAL 100 HA VAL 100 7.474 -10.549 6.746 763 HB VAL 100 HB VAL 100 7.850 -10.794 3.737 764 1HG1 VAL 100 HG11 VAL 100 5.653 -9.357 5.262 765 2HG1 VAL 100 HG12 VAL 100 6.025 -9.081 3.548 766 3HG1 VAL 100 HG13 VAL 100 5.476 -10.670 4.081 767 1HG2 VAL 100 HG21 VAL 100 7.896 -8.183 5.256 768 2HG2 VAL 100 HG22 VAL 100 9.360 -9.156 5.112 769 3HG2 VAL 100 HG23 VAL 100 8.559 -8.613 3.647 770 H ASN 101 H ASN 101 7.930 -13.272 4.501 771 HA ASN 101 HA ASN 101 5.280 -14.174 4.391 772 1HB ASN 101 HB2 ASN 101 7.295 -14.776 2.900 773 2HB ASN 101 HB3 ASN 101 7.691 -15.999 4.110 774 1HD2 ASN 101 HD22 ASN 101 5.569 -15.026 1.504 775 2HD2 ASN 101 HD21 ASN 101 4.627 -16.493 1.430 776 H LYS 102 H LYS 102 7.687 -14.710 6.912 777 HA LYS 102 HA LYS 102 6.570 -16.931 8.259 778 1HB LYS 102 HB2 LYS 102 7.765 -14.401 9.463 779 2HB LYS 102 HB3 LYS 102 7.461 -15.898 10.336 780 1HG LYS 102 HG2 LYS 102 9.101 -17.062 8.814 781 2HG LYS 102 HG3 LYS 102 9.484 -15.476 8.111 782 1HD LYS 102 HD2 LYS 102 10.065 -14.634 10.397 783 2HD LYS 102 HD3 LYS 102 9.776 -16.263 11.038 784 1HE LYS 102 HE2 LYS 102 11.543 -17.107 9.411 785 2HE LYS 102 HE3 LYS 102 11.898 -15.420 9.016 786 1HZ LYS 102 HZ1 LYS 102 12.198 -16.694 11.673 787 2HZ LYS 102 HZ2 LYS 102 13.404 -16.202 10.698 788 3HZ LYS 102 HZ3 LYS 102 12.436 -15.094 11.424 789 H HIS 103 H HIS 103 5.281 -13.653 7.933 790 HA HIS 103 HA HIS 103 3.261 -14.225 10.058 791 1HB HIS 103 HB2 HIS 103 4.461 -11.563 9.229 792 2HB HIS 103 HB3 HIS 103 3.362 -11.857 10.578 793 HD1 HIS 103 HD1 HIS 103 4.517 -13.765 12.467 794 HD2 HIS 103 HD2 HIS 103 6.994 -11.620 9.820 795 HE1 HIS 103 HE1 HIS 103 6.883 -13.931 13.395 796 H LEU 104 H LEU 104 3.554 -13.620 6.677 797 HA LEU 104 HA LEU 104 1.093 -12.248 6.218 798 1HB LEU 104 HB2 LEU 104 2.532 -14.322 4.509 799 2HB LEU 104 HB3 LEU 104 1.127 -13.404 3.992 800 HG LEU 104 HG LEU 104 3.855 -12.250 4.671 801 1HD1 LEU 104 HD11 LEU 104 3.959 -11.724 2.275 802 2HD1 LEU 104 HD12 LEU 104 3.727 -13.462 2.516 803 3HD1 LEU 104 HD13 LEU 104 2.357 -12.447 2.025 804 1HD2 LEU 104 HD21 LEU 104 2.221 -10.579 5.306 805 2HD2 LEU 104 HD22 LEU 104 2.904 -10.097 3.757 806 3HD2 LEU 104 HD23 LEU 104 1.291 -10.845 3.817
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