NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9828 | 1oq6 | 5768 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -1.995 20.790 16.375 2 2H MET 1 H2 MET 1 -3.503 20.939 15.681 3 3H MET 1 H3 MET 1 -2.957 19.469 16.230 4 HA MET 1 HA MET 1 -2.677 19.434 13.900 5 1HB MET 1 2HB MET 1 -2.701 22.004 13.763 6 2HB MET 1 3HB MET 1 -1.024 21.963 14.319 7 1HG MET 1 2HG MET 1 -0.777 20.287 12.212 8 2HG MET 1 3HG MET 1 -2.199 21.180 11.673 9 1HE MET 1 1HE MET 1 -0.622 24.871 11.678 10 2HE MET 1 2HE MET 1 -2.139 23.950 11.542 11 3HE MET 1 3HE MET 1 -1.321 24.109 13.120 12 H LEU 2 H LEU 2 -1.008 17.874 13.517 13 HA LEU 2 HA LEU 2 1.654 18.437 14.231 14 1HB LEU 2 2HB LEU 2 0.544 17.608 16.488 15 2HB LEU 2 3HB LEU 2 0.727 16.003 15.813 16 HG LEU 2 HG LEU 2 3.008 18.032 16.000 17 1HD1 LEU 2 1HD1 LEU 2 2.101 17.663 18.240 18 2HD1 LEU 2 2HD1 LEU 2 2.211 15.902 18.020 19 3HD1 LEU 2 3HD1 LEU 2 3.686 16.895 18.071 20 1HD2 LEU 2 1HD2 LEU 2 3.450 16.139 14.455 21 2HD2 LEU 2 2HD2 LEU 2 4.444 16.015 15.910 22 3HD2 LEU 2 3HD2 LEU 2 3.008 14.987 15.735 23 H SER 3 H SER 3 -0.156 15.343 14.085 24 HA SER 3 HA SER 3 -0.068 13.595 12.711 25 1HB SER 3 2HB SER 3 -0.086 15.726 10.554 26 2HB SER 3 3HB SER 3 -0.651 14.052 10.409 27 HG SER 3 HG SER 3 -2.291 14.501 11.860 28 H GLU 4 H GLU 4 1.804 12.340 12.706 29 HA GLU 4 HA GLU 4 4.343 13.555 11.768 30 1HB GLU 4 2HB GLU 4 3.603 11.269 13.505 31 2HB GLU 4 3HB GLU 4 5.011 11.070 12.496 32 1HG GLU 4 2HG GLU 4 5.716 13.358 13.456 33 2HG GLU 4 3HG GLU 4 4.517 12.993 14.699 34 H GLN 5 H GLN 5 5.605 11.863 10.334 35 HA GLN 5 HA GLN 5 3.726 10.309 8.649 36 1HB GLN 5 2HB GLN 5 6.055 12.006 7.785 37 2HB GLN 5 3HB GLN 5 5.283 10.865 6.698 38 1HG GLN 5 2HG GLN 5 3.717 13.128 8.069 39 2HG GLN 5 3HG GLN 5 4.632 13.366 6.601 40 1HE2 GLN 5 1HE2 GLN 5 3.288 10.153 6.706 41 2HE2 GLN 5 2HE2 GLN 5 1.981 10.499 5.602 42 H LYS 6 H LYS 6 4.455 8.327 8.206 43 HA LYS 6 HA LYS 6 7.280 7.717 8.517 44 1HB LYS 6 2HB LYS 6 5.099 6.179 10.000 45 2HB LYS 6 3HB LYS 6 6.690 5.522 9.642 46 1HG LYS 6 2HG LYS 6 7.503 7.861 10.789 47 2HG LYS 6 3HG LYS 6 5.918 7.722 11.536 48 1HD LYS 6 2HD LYS 6 7.202 6.556 13.054 49 2HD LYS 6 3HD LYS 6 6.729 5.209 12.023 50 1HE LYS 6 2HE LYS 6 9.363 6.789 12.038 51 2HE LYS 6 3HE LYS 6 9.125 5.104 12.510 52 1HZ LYS 6 1HZ LYS 6 9.019 6.154 9.708 53 2HZ LYS 6 2HZ LYS 6 10.132 5.210 10.368 54 3HZ LYS 6 3HZ LYS 6 8.619 4.634 10.148 55 H GLU 7 H GLU 7 7.865 5.873 7.570 56 HA GLU 7 HA GLU 7 6.496 5.218 5.064 57 1HB GLU 7 2HB GLU 7 9.411 4.672 5.421 58 2HB GLU 7 3HB GLU 7 8.526 5.467 4.128 59 1HG GLU 7 2HG GLU 7 9.943 7.075 4.926 60 2HG GLU 7 3HG GLU 7 8.431 7.540 5.688 61 H ILE 8 H ILE 8 5.489 3.214 5.389 62 HA ILE 8 HA ILE 8 7.004 1.118 6.938 63 HB ILE 8 HB ILE 8 5.173 -0.325 6.705 64 1HG1 ILE 8 2HG1 ILE 8 2.955 0.570 5.945 65 2HG1 ILE 8 3HG1 ILE 8 3.855 1.865 5.103 66 1HG2 ILE 8 1HG2 ILE 8 3.623 0.770 8.107 67 2HG2 ILE 8 2HG2 ILE 8 5.286 1.140 8.611 68 3HG2 ILE 8 3HG2 ILE 8 4.336 2.368 7.741 69 1HD1 ILE 8 1HD1 ILE 8 4.892 0.201 3.697 70 2HD1 ILE 8 2HD1 ILE 8 4.443 -1.090 4.846 71 3HD1 ILE 8 3HD1 ILE 8 3.195 -0.290 3.854 72 H ALA 9 H ALA 9 7.273 -0.983 5.848 73 HA ALA 9 HA ALA 9 7.602 -0.873 2.936 74 1HB ALA 9 1HB ALA 9 9.796 -1.979 3.097 75 2HB ALA 9 2HB ALA 9 9.873 -0.381 3.870 76 3HB ALA 9 3HB ALA 9 9.762 -1.843 4.869 77 H MET 10 H MET 10 6.725 -2.835 2.150 78 HA MET 10 HA MET 10 6.741 -5.206 3.858 79 1HB MET 10 2HB MET 10 4.286 -5.528 3.787 80 2HB MET 10 3HB MET 10 4.761 -4.128 4.765 81 1HG MET 10 2HG MET 10 4.240 -2.685 2.758 82 2HG MET 10 3HG MET 10 3.603 -4.162 1.977 83 1HE MET 10 1HE MET 10 1.495 -2.726 1.410 84 2HE MET 10 2HE MET 10 0.431 -1.993 2.629 85 3HE MET 10 3HE MET 10 2.044 -1.322 2.314 86 H GLN 11 H GLN 11 5.545 -7.043 2.661 87 HA GLN 11 HA GLN 11 6.557 -6.993 -0.132 88 1HB GLN 11 2HB GLN 11 6.047 -9.139 1.975 89 2HB GLN 11 3HB GLN 11 6.034 -9.586 0.277 90 1HG GLN 11 2HG GLN 11 8.335 -8.295 1.804 91 2HG GLN 11 3HG GLN 11 8.248 -9.974 1.248 92 1HE2 GLN 11 1HE2 GLN 11 7.297 -9.792 -1.337 93 2HE2 GLN 11 2HE2 GLN 11 8.190 -8.604 -2.281 94 H VAL 12 H VAL 12 5.279 -8.212 -1.709 95 HA VAL 12 HA VAL 12 2.328 -7.859 -1.387 96 HB VAL 12 HB VAL 12 2.458 -7.418 -3.910 97 1HG1 VAL 12 1HG1 VAL 12 1.733 -5.719 -2.309 98 2HG1 VAL 12 2HG1 VAL 12 3.422 -5.347 -1.904 99 3HG1 VAL 12 3HG1 VAL 12 2.792 -4.974 -3.520 100 1HG2 VAL 12 1HG2 VAL 12 4.443 -6.413 -4.757 101 2HG2 VAL 12 2HG2 VAL 12 5.254 -6.454 -3.186 102 3HG2 VAL 12 3HG2 VAL 12 4.936 -7.969 -4.074 103 H SER 13 H SER 13 1.005 -9.338 -2.591 104 HA SER 13 HA SER 13 2.258 -11.388 -4.232 105 1HB SER 13 2HB SER 13 0.845 -12.029 -1.605 106 2HB SER 13 3HB SER 13 1.050 -13.220 -2.897 107 HG SER 13 HG SER 13 3.343 -11.845 -2.103 108 H GLY 14 H GLY 14 0.493 -12.730 -5.230 109 1HA GLY 14 2HA GLY 14 -1.478 -12.919 -6.395 110 2HA GLY 14 3HA GLY 14 -2.256 -12.031 -5.075 111 H MET 15 H MET 15 -0.275 -11.577 -8.067 112 HA MET 15 HA MET 15 -1.710 -9.079 -8.644 113 1HB MET 15 2HB MET 15 0.277 -7.782 -8.827 114 2HB MET 15 3HB MET 15 0.271 -8.518 -7.211 115 1HG MET 15 2HG MET 15 2.456 -8.912 -7.782 116 2HG MET 15 3HG MET 15 1.747 -10.374 -8.468 117 1HE MET 15 1HE MET 15 4.396 -9.805 -11.178 118 2HE MET 15 2HE MET 15 4.521 -9.841 -9.401 119 3HE MET 15 3HE MET 15 3.466 -11.003 -10.251 120 H THR 16 H THR 16 -1.498 -8.402 -10.843 121 HA THR 16 HA THR 16 -0.887 -10.475 -12.809 122 HB THR 16 HB THR 16 -1.650 -8.327 -14.215 123 HG1 THR 16 1HG THR 16 -2.831 -6.901 -12.932 124 1HG2 THR 16 1HG2 THR 16 -4.020 -8.956 -13.834 125 2HG2 THR 16 2HG2 THR 16 -2.974 -10.376 -14.019 126 3HG2 THR 16 3HG2 THR 16 -3.536 -9.897 -12.402 127 H CYS 17 H CYS 17 -0.050 -7.001 -12.376 128 HA CYS 17 HA CYS 17 2.738 -7.490 -13.196 129 1HB CYS 17 2HB CYS 17 2.311 -5.720 -15.081 130 2HB CYS 17 3HB CYS 17 1.859 -7.409 -15.340 131 H ALA 18 H ALA 18 4.022 -5.616 -13.263 132 HA ALA 18 HA ALA 18 3.808 -4.020 -10.887 133 1HB ALA 18 1HB ALA 18 6.011 -3.204 -11.591 134 2HB ALA 18 2HB ALA 18 5.929 -4.964 -11.820 135 3HB ALA 18 3HB ALA 18 5.779 -3.884 -13.214 136 H ALA 19 H ALA 19 1.604 -3.302 -12.029 137 HA ALA 19 HA ALA 19 1.938 -0.487 -12.872 138 1HB ALA 19 1HB ALA 19 0.529 -2.574 -14.605 139 2HB ALA 19 2HB ALA 19 0.474 -0.814 -14.854 140 3HB ALA 19 3HB ALA 19 2.010 -1.687 -15.014 141 H CYS 20 H CYS 20 -0.411 -3.205 -12.470 142 HA CYS 20 HA CYS 20 -2.520 -1.579 -11.407 143 1HB CYS 20 2HB CYS 20 -1.909 -4.524 -10.825 144 2HB CYS 20 3HB CYS 20 -3.475 -3.702 -10.691 145 H ALA 21 H ALA 21 0.229 -3.302 -10.058 146 HA ALA 21 HA ALA 21 0.214 -2.828 -7.361 147 1HB ALA 21 1HB ALA 21 2.016 -3.873 -8.914 148 2HB ALA 21 2HB ALA 21 2.624 -2.223 -9.116 149 3HB ALA 21 3HB ALA 21 2.577 -2.976 -7.508 150 H ALA 22 H ALA 22 0.636 -0.316 -9.926 151 HA ALA 22 HA ALA 22 1.435 1.739 -8.004 152 1HB ALA 22 1HB ALA 22 1.129 3.271 -9.857 153 2HB ALA 22 2HB ALA 22 2.007 1.840 -10.440 154 3HB ALA 22 3HB ALA 22 0.279 2.046 -10.806 155 H ARG 23 H ARG 23 -1.545 0.780 -9.743 156 HA ARG 23 HA ARG 23 -3.123 2.955 -8.751 157 1HB ARG 23 2HB ARG 23 -3.894 0.286 -9.985 158 2HB ARG 23 3HB ARG 23 -5.065 1.503 -9.463 159 1HG ARG 23 2HG ARG 23 -4.829 2.608 -11.398 160 2HG ARG 23 3HG ARG 23 -3.168 2.982 -10.960 161 1HD ARG 23 2HD ARG 23 -3.061 2.014 -13.082 162 2HD ARG 23 3HD ARG 23 -2.464 0.775 -11.959 163 HE ARG 23 HE ARG 23 -5.232 0.346 -12.259 164 1HH1 ARG 23 2HH2 ARG 23 -2.314 0.177 -14.204 165 2HH1 ARG 23 1HH2 ARG 23 -2.983 -0.838 -15.447 166 1HH2 ARG 23 2HH1 ARG 23 -6.201 -0.970 -13.917 167 2HH2 ARG 23 1HH1 ARG 23 -5.249 -1.520 -15.257 168 H ILE 24 H ILE 24 -2.530 -0.332 -7.402 169 HA ILE 24 HA ILE 24 -4.474 -0.010 -5.374 170 HB ILE 24 HB ILE 24 -3.603 -1.722 -4.149 171 1HG1 ILE 24 2HG1 ILE 24 -0.999 -1.172 -5.463 172 2HG1 ILE 24 3HG1 ILE 24 -1.446 -1.102 -3.741 173 1HG2 ILE 24 1HG2 ILE 24 -3.597 -3.465 -5.700 174 2HG2 ILE 24 2HG2 ILE 24 -4.445 -2.180 -6.564 175 3HG2 ILE 24 3HG2 ILE 24 -2.744 -2.524 -6.933 176 1HD1 ILE 24 1HD1 ILE 24 -1.711 -3.555 -3.729 177 2HD1 ILE 24 2HD1 ILE 24 -1.147 -3.582 -5.429 178 3HD1 ILE 24 3HD1 ILE 24 -0.057 -3.046 -4.147 179 H GLU 25 H GLU 25 -0.977 0.779 -5.043 180 HA GLU 25 HA GLU 25 -1.165 2.159 -2.622 181 1HB GLU 25 2HB GLU 25 0.743 2.157 -4.934 182 2HB GLU 25 3HB GLU 25 0.858 3.515 -3.803 183 1HG GLU 25 2HG GLU 25 2.334 1.608 -3.180 184 2HG GLU 25 3HG GLU 25 1.180 2.023 -1.909 185 H LYS 26 H LYS 26 -1.727 3.454 -5.889 186 HA LYS 26 HA LYS 26 -1.780 6.199 -4.950 187 1HB LYS 26 2HB LYS 26 -2.481 4.928 -7.587 188 2HB LYS 26 3HB LYS 26 -3.034 6.555 -7.201 189 1HG LYS 26 2HG LYS 26 -1.033 6.907 -8.325 190 2HG LYS 26 3HG LYS 26 -0.640 7.202 -6.620 191 1HD LYS 26 2HD LYS 26 0.476 5.092 -6.426 192 2HD LYS 26 3HD LYS 26 -0.125 4.611 -8.029 193 1HE LYS 26 2HE LYS 26 1.208 6.182 -9.198 194 2HE LYS 26 3HE LYS 26 1.592 7.095 -7.730 195 1HZ LYS 26 1HZ LYS 26 2.934 5.319 -6.977 196 2HZ LYS 26 2HZ LYS 26 2.538 4.362 -8.263 197 3HZ LYS 26 3HZ LYS 26 3.415 5.735 -8.493 198 H GLY 27 H GLY 27 -4.303 3.745 -5.666 199 1HA GLY 27 2HA GLY 27 -6.573 5.340 -4.936 200 2HA GLY 27 3HA GLY 27 -6.445 3.569 -4.891 201 H LEU 28 H LEU 28 -4.289 3.251 -3.121 202 HA LEU 28 HA LEU 28 -5.735 3.304 -0.680 203 1HB LEU 28 2HB LEU 28 -4.132 1.599 -1.159 204 2HB LEU 28 3HB LEU 28 -2.812 2.755 -1.261 205 HG LEU 28 HG LEU 28 -3.000 1.260 0.802 206 1HD1 LEU 28 1HD1 LEU 28 -2.024 2.950 2.245 207 2HD1 LEU 28 2HD1 LEU 28 -1.503 3.265 0.586 208 3HD1 LEU 28 3HD1 LEU 28 -2.785 4.242 1.329 209 1HD2 LEU 28 1HD2 LEU 28 -5.276 1.435 1.329 210 2HD2 LEU 28 2HD2 LEU 28 -4.405 2.205 2.660 211 3HD2 LEU 28 3HD2 LEU 28 -5.263 3.187 1.515 212 H LYS 29 H LYS 29 -3.135 5.448 -1.904 213 HA LYS 29 HA LYS 29 -2.731 7.154 0.206 214 1HB LYS 29 2HB LYS 29 -1.768 7.342 -2.123 215 2HB LYS 29 3HB LYS 29 -3.292 8.114 -2.598 216 1HG LYS 29 2HG LYS 29 -2.796 9.793 -0.625 217 2HG LYS 29 3HG LYS 29 -1.172 9.143 -0.674 218 1HD LYS 29 2HD LYS 29 -2.643 10.241 -3.121 219 2HD LYS 29 3HD LYS 29 -1.757 11.290 -2.001 220 1HE LYS 29 2HE LYS 29 0.309 10.485 -2.530 221 2HE LYS 29 3HE LYS 29 -0.267 8.920 -3.152 222 1HZ LYS 29 1HZ LYS 29 -1.048 10.124 -5.074 223 2HZ LYS 29 2HZ LYS 29 -0.518 11.555 -4.431 224 3HZ LYS 29 3HZ LYS 29 0.569 10.379 -4.802 225 H ARG 30 H ARG 30 -5.771 6.828 -1.590 226 HA ARG 30 HA ARG 30 -6.730 9.404 -0.807 227 1HB ARG 30 2HB ARG 30 -7.236 7.897 -2.866 228 2HB ARG 30 3HB ARG 30 -8.465 7.139 -1.858 229 1HG ARG 30 2HG ARG 30 -8.448 10.145 -1.922 230 2HG ARG 30 3HG ARG 30 -8.747 9.377 -3.473 231 1HD ARG 30 2HD ARG 30 -10.700 8.314 -2.791 232 2HD ARG 30 3HD ARG 30 -10.353 8.445 -1.074 233 HE ARG 30 HE ARG 30 -11.554 10.449 -2.823 234 1HH1 ARG 30 2HH2 ARG 30 -9.770 9.969 0.234 235 2HH1 ARG 30 1HH2 ARG 30 -10.263 11.482 0.913 236 1HH2 ARG 30 2HH1 ARG 30 -12.154 12.493 -1.936 237 2HH2 ARG 30 1HH1 ARG 30 -11.636 12.950 -0.347 238 H MET 31 H MET 31 -6.352 6.679 1.177 239 HA MET 31 HA MET 31 -8.740 7.084 2.818 240 1HB MET 31 2HB MET 31 -6.513 5.136 2.512 241 2HB MET 31 3HB MET 31 -6.831 5.502 4.185 242 1HG MET 31 2HG MET 31 -8.095 3.584 3.267 243 2HG MET 31 3HG MET 31 -9.125 4.824 3.980 244 1HE MET 31 1HE MET 31 -10.431 2.653 2.646 245 2HE MET 31 2HE MET 31 -11.362 4.095 3.090 246 3HE MET 31 3HE MET 31 -11.551 3.397 1.465 247 HA PRO 32 HA PRO 32 -7.093 10.044 5.565 248 1HB PRO 32 2HB PRO 32 -7.806 9.279 8.086 249 2HB PRO 32 3HB PRO 32 -9.006 9.741 6.846 250 1HG PRO 32 2HG PRO 32 -8.098 6.952 7.591 251 2HG PRO 32 3HG PRO 32 -9.779 7.541 7.433 252 1HD PRO 32 2HD PRO 32 -8.489 6.215 5.460 253 2HD PRO 32 3HD PRO 32 -9.632 7.524 5.049 254 H GLY 33 H GLY 33 -5.475 10.501 7.264 255 1HA GLY 33 2HA GLY 33 -3.430 10.340 8.154 256 2HA GLY 33 3HA GLY 33 -3.671 8.597 8.271 257 H VAL 34 H VAL 34 -3.926 8.160 5.331 258 HA VAL 34 HA VAL 34 -1.118 8.059 4.705 259 HB VAL 34 HB VAL 34 -3.436 7.623 2.840 260 1HG1 VAL 34 1HG1 VAL 34 -0.512 6.619 2.986 261 2HG1 VAL 34 2HG1 VAL 34 -1.669 6.036 1.802 262 3HG1 VAL 34 3HG1 VAL 34 -1.162 7.725 1.768 263 1HG2 VAL 34 1HG2 VAL 34 -2.161 5.648 4.785 264 2HG2 VAL 34 2HG2 VAL 34 -3.858 6.166 4.739 265 3HG2 VAL 34 3HG2 VAL 34 -3.214 5.187 3.432 266 H THR 35 H THR 35 0.067 9.245 3.269 267 HA THR 35 HA THR 35 -1.260 11.625 2.059 268 HB THR 35 HB THR 35 0.670 11.592 4.246 269 HG1 THR 35 1HG THR 35 -1.399 12.570 4.164 270 1HG2 THR 35 1HG2 THR 35 1.839 13.646 3.489 271 2HG2 THR 35 2HG2 THR 35 2.336 12.172 2.643 272 3HG2 THR 35 3HG2 THR 35 1.252 13.355 1.842 273 H ASP 36 H ASP 36 1.538 9.309 1.928 274 HA ASP 36 HA ASP 36 1.067 9.474 -0.868 275 1HB ASP 36 2HB ASP 36 3.222 11.023 -0.114 276 2HB ASP 36 3HB ASP 36 4.003 9.477 -0.470 277 H ALA 37 H ALA 37 2.357 7.866 -2.077 278 HA ALA 37 HA ALA 37 2.939 5.444 -0.586 279 1HB ALA 37 1HB ALA 37 1.043 4.101 -1.330 280 2HB ALA 37 2HB ALA 37 0.445 5.488 -0.418 281 3HB ALA 37 3HB ALA 37 0.351 5.496 -2.192 282 H ASN 38 H ASN 38 4.043 3.889 -1.809 283 HA ASN 38 HA ASN 38 4.595 4.570 -4.640 284 1HB ASN 38 2HB ASN 38 7.152 4.373 -3.473 285 2HB ASN 38 3HB ASN 38 6.391 5.782 -4.186 286 1HD2 ASN 38 1HD2 ASN 38 5.906 4.125 -0.992 287 2HD2 ASN 38 2HD2 ASN 38 6.281 5.578 -0.066 288 H VAL 39 H VAL 39 4.251 2.597 -5.447 289 HA VAL 39 HA VAL 39 5.007 0.234 -3.939 290 HB VAL 39 HB VAL 39 3.014 0.462 -5.392 291 1HG1 VAL 39 1HG1 VAL 39 4.072 1.559 -7.379 292 2HG1 VAL 39 2HG1 VAL 39 4.926 0.041 -7.741 293 3HG1 VAL 39 3HG1 VAL 39 3.179 0.089 -7.793 294 1HG2 VAL 39 1HG2 VAL 39 4.510 -1.879 -6.431 295 2HG2 VAL 39 2HG2 VAL 39 4.323 -1.751 -4.671 296 3HG2 VAL 39 3HG2 VAL 39 2.892 -1.770 -5.698 297 H ASN 40 H ASN 40 7.049 -0.714 -3.939 298 HA ASN 40 HA ASN 40 9.058 0.349 -5.878 299 1HB ASN 40 2HB ASN 40 9.453 0.809 -3.460 300 2HB ASN 40 3HB ASN 40 9.496 -0.935 -3.159 301 1HD2 ASN 40 1HD2 ASN 40 11.728 0.131 -2.364 302 2HD2 ASN 40 2HD2 ASN 40 13.021 0.016 -3.548 303 H LEU 41 H LEU 41 7.488 -1.226 -7.058 304 HA LEU 41 HA LEU 41 7.752 -4.015 -6.574 305 1HB LEU 41 2HB LEU 41 6.061 -2.387 -8.052 306 2HB LEU 41 3HB LEU 41 6.950 -3.198 -9.323 307 HG LEU 41 HG LEU 41 4.772 -4.219 -8.636 308 1HD1 LEU 41 1HD1 LEU 41 7.123 -6.109 -8.170 309 2HD1 LEU 41 2HD1 LEU 41 5.492 -6.537 -8.715 310 3HD1 LEU 41 3HD1 LEU 41 6.560 -5.581 -9.760 311 1HD2 LEU 41 1HD2 LEU 41 6.014 -5.436 -6.190 312 2HD2 LEU 41 2HD2 LEU 41 5.269 -3.846 -6.068 313 3HD2 LEU 41 3HD2 LEU 41 4.315 -5.220 -6.650 314 H ALA 42 H ALA 42 9.767 -1.776 -8.248 315 HA ALA 42 HA ALA 42 11.339 -3.319 -9.955 316 1HB ALA 42 1HB ALA 42 11.697 -0.902 -9.504 317 2HB ALA 42 2HB ALA 42 12.255 -1.306 -7.858 318 3HB ALA 42 3HB ALA 42 13.187 -1.846 -9.264 319 H THR 43 H THR 43 11.217 -3.340 -6.368 320 HA THR 43 HA THR 43 12.866 -5.815 -6.466 321 HB THR 43 HB THR 43 14.276 -4.023 -5.681 322 HG1 THR 43 1HG THR 43 13.463 -6.015 -3.872 323 1HG2 THR 43 1HG2 THR 43 12.324 -3.685 -3.358 324 2HG2 THR 43 2HG2 THR 43 13.917 -2.930 -3.518 325 3HG2 THR 43 3HG2 THR 43 12.629 -2.514 -4.657 326 H GLU 44 H GLU 44 10.098 -5.593 -6.746 327 HA GLU 44 HA GLU 44 8.135 -6.414 -6.000 328 1HB GLU 44 2HB GLU 44 10.174 -8.338 -4.807 329 2HB GLU 44 3HB GLU 44 8.447 -8.690 -4.965 330 1HG GLU 44 2HG GLU 44 8.518 -8.432 -7.384 331 2HG GLU 44 3HG GLU 44 10.227 -7.965 -7.326 332 H THR 45 H THR 45 9.023 -4.236 -4.233 333 HA THR 45 HA THR 45 7.886 -5.089 -1.607 334 HB THR 45 HB THR 45 10.090 -3.098 -2.327 335 HG1 THR 45 1HG THR 45 10.656 -5.377 -2.371 336 1HG2 THR 45 1HG2 THR 45 8.963 -3.930 0.368 337 2HG2 THR 45 2HG2 THR 45 10.461 -3.007 0.134 338 3HG2 THR 45 3HG2 THR 45 8.917 -2.293 -0.350 339 H VAL 46 H VAL 46 6.672 -3.315 -0.520 340 HA VAL 46 HA VAL 46 5.920 -1.031 -2.297 341 HB VAL 46 HB VAL 46 4.099 -2.600 -2.450 342 1HG1 VAL 46 1HG1 VAL 46 4.475 -3.942 -0.401 343 2HG1 VAL 46 2HG1 VAL 46 3.991 -2.520 0.560 344 3HG1 VAL 46 3HG1 VAL 46 2.820 -3.336 -0.495 345 1HG2 VAL 46 1HG2 VAL 46 3.384 -0.364 -0.487 346 2HG2 VAL 46 2HG2 VAL 46 3.474 -0.227 -2.259 347 3HG2 VAL 46 3HG2 VAL 46 2.281 -1.304 -1.488 348 H ASN 47 H ASN 47 5.641 0.990 -1.264 349 HA ASN 47 HA ASN 47 6.288 1.061 1.632 350 1HB ASN 47 2HB ASN 47 7.471 2.664 -0.682 351 2HB ASN 47 3HB ASN 47 7.493 3.248 0.985 352 1HD2 ASN 47 1HD2 ASN 47 8.475 1.697 2.647 353 2HD2 ASN 47 2HD2 ASN 47 10.009 1.023 2.124 354 H VAL 48 H VAL 48 5.085 2.683 2.752 355 HA VAL 48 HA VAL 48 3.039 4.160 1.206 356 HB VAL 48 HB VAL 48 2.509 2.257 3.517 357 1HG1 VAL 48 1HG1 VAL 48 0.498 3.983 2.056 358 2HG1 VAL 48 2HG1 VAL 48 0.238 2.896 3.450 359 3HG1 VAL 48 3HG1 VAL 48 1.175 4.376 3.645 360 1HG2 VAL 48 1HG2 VAL 48 2.671 1.031 1.410 361 2HG2 VAL 48 2HG2 VAL 48 0.983 1.128 1.921 362 3HG2 VAL 48 3HG2 VAL 48 1.573 2.186 0.624 363 H ILE 49 H ILE 49 3.070 6.209 1.934 364 HA ILE 49 HA ILE 49 4.660 6.842 4.304 365 HB ILE 49 HB ILE 49 3.838 8.711 2.047 366 1HG1 ILE 49 2HG1 ILE 49 5.081 6.992 0.945 367 2HG1 ILE 49 3HG1 ILE 49 6.038 8.460 1.062 368 1HG2 ILE 49 1HG2 ILE 49 5.766 10.041 2.852 369 2HG2 ILE 49 2HG2 ILE 49 4.491 9.862 4.064 370 3HG2 ILE 49 3HG2 ILE 49 5.973 8.902 4.201 371 1HD1 ILE 49 1HD1 ILE 49 7.294 7.489 2.992 372 2HD1 ILE 49 2HD1 ILE 49 6.366 5.983 2.806 373 3HD1 ILE 49 3HD1 ILE 49 7.446 6.529 1.513 374 H TYR 50 H TYR 50 3.212 7.011 6.049 375 HA TYR 50 HA TYR 50 0.763 8.659 5.724 376 1HB TYR 50 2HB TYR 50 -0.689 6.962 6.606 377 2HB TYR 50 3HB TYR 50 0.132 6.295 5.209 378 HD1 TYR 50 HD1 TYR 50 2.105 4.686 5.602 379 HD2 TYR 50 HD2 TYR 50 -0.628 5.887 8.691 380 HE1 TYR 50 HE1 TYR 50 2.324 2.489 6.688 381 HE2 TYR 50 HE2 TYR 50 -0.067 3.846 9.970 382 HH TYR 50 HH TYR 50 1.047 1.849 9.963 383 H ASP 51 H ASP 51 -0.410 8.768 7.826 384 HA ASP 51 HA ASP 51 1.592 9.352 9.977 385 1HB ASP 51 2HB ASP 51 0.152 11.197 9.616 386 2HB ASP 51 3HB ASP 51 -1.276 10.175 9.680 387 HA PRO 52 HA PRO 52 0.099 5.388 11.501 388 1HB PRO 52 2HB PRO 52 2.075 4.683 13.177 389 2HB PRO 52 3HB PRO 52 2.333 4.795 11.419 390 1HG PRO 52 2HG PRO 52 2.918 6.944 13.499 391 2HG PRO 52 3HG PRO 52 4.043 6.295 12.271 392 1HD PRO 52 2HD PRO 52 2.585 8.588 11.877 393 2HD PRO 52 3HD PRO 52 2.940 7.459 10.534 394 H ALA 53 H ALA 53 -0.457 8.297 12.963 395 HA ALA 53 HA ALA 53 -1.427 7.056 15.484 396 1HB ALA 53 1HB ALA 53 -1.984 9.286 16.135 397 2HB ALA 53 2HB ALA 53 -0.300 9.301 15.563 398 3HB ALA 53 3HB ALA 53 -1.604 9.934 14.534 399 H GLU 54 H GLU 54 -2.311 8.243 12.242 400 HA GLU 54 HA GLU 54 -5.181 8.188 12.946 401 1HB GLU 54 2HB GLU 54 -3.728 10.114 11.696 402 2HB GLU 54 3HB GLU 54 -4.238 9.182 10.292 403 1HG GLU 54 2HG GLU 54 -6.627 9.383 11.137 404 2HG GLU 54 3HG GLU 54 -6.006 10.464 12.397 405 H THR 55 H THR 55 -2.942 7.120 10.377 406 HA THR 55 HA THR 55 -4.540 4.711 10.071 407 HB THR 55 HB THR 55 -2.695 4.307 8.053 408 HG1 THR 55 1HG THR 55 -3.825 6.689 7.470 409 1HG2 THR 55 1HG2 THR 55 -5.507 5.522 8.085 410 2HG2 THR 55 2HG2 THR 55 -4.686 4.802 6.672 411 3HG2 THR 55 3HG2 THR 55 -5.121 3.765 8.064 412 H GLY 56 H GLY 56 -3.030 2.912 9.388 413 1HA GLY 56 2HA GLY 56 -0.948 2.085 11.111 414 2HA GLY 56 3HA GLY 56 -2.546 1.554 11.704 415 H THR 57 H THR 57 -2.501 -0.588 10.963 416 HA THR 57 HA THR 57 -1.767 -1.349 8.223 417 HB THR 57 HB THR 57 -2.343 -3.617 9.237 418 HG1 THR 57 1HG THR 57 -3.072 -3.619 11.253 419 1HG2 THR 57 1HG2 THR 57 0.002 -2.746 9.141 420 2HG2 THR 57 2HG2 THR 57 -0.222 -1.930 10.698 421 3HG2 THR 57 3HG2 THR 57 -0.268 -3.702 10.611 422 H ALA 58 H ALA 58 -4.426 -0.762 10.427 423 HA ALA 58 HA ALA 58 -6.345 -2.334 9.550 424 1HB ALA 58 1HB ALA 58 -6.543 -0.923 11.534 425 2HB ALA 58 2HB ALA 58 -6.760 0.515 10.514 426 3HB ALA 58 3HB ALA 58 -7.990 -0.767 10.520 427 H ALA 59 H ALA 59 -6.012 0.903 8.316 428 HA ALA 59 HA ALA 59 -8.380 0.560 6.567 429 1HB ALA 59 1HB ALA 59 -7.914 2.765 5.725 430 2HB ALA 59 2HB ALA 59 -7.708 2.799 7.490 431 3HB ALA 59 3HB ALA 59 -6.281 2.753 6.414 432 H ILE 60 H ILE 60 -4.897 0.347 6.330 433 HA ILE 60 HA ILE 60 -4.689 0.185 3.510 434 HB ILE 60 HB ILE 60 -2.927 -0.373 5.918 435 1HG1 ILE 60 2HG1 ILE 60 -1.394 1.077 4.538 436 2HG1 ILE 60 3HG1 ILE 60 -2.662 1.098 3.307 437 1HG2 ILE 60 1HG2 ILE 60 -2.417 -2.363 4.559 438 2HG2 ILE 60 2HG2 ILE 60 -2.146 -1.320 3.141 439 3HG2 ILE 60 3HG2 ILE 60 -1.099 -1.198 4.579 440 1HD1 ILE 60 1HD1 ILE 60 -2.932 2.121 6.196 441 2HD1 ILE 60 2HD1 ILE 60 -2.544 3.153 4.812 442 3HD1 ILE 60 3HD1 ILE 60 -4.126 2.370 4.907 443 H GLN 61 H GLN 61 -5.010 -2.376 6.007 444 HA GLN 61 HA GLN 61 -4.812 -4.510 4.089 445 1HB GLN 61 2HB GLN 61 -5.308 -4.264 6.957 446 2HB GLN 61 3HB GLN 61 -6.460 -5.364 6.201 447 1HG GLN 61 2HG GLN 61 -4.781 -6.787 6.821 448 2HG GLN 61 3HG GLN 61 -4.482 -6.554 5.101 449 1HE2 GLN 61 1HE2 GLN 61 -3.338 -3.687 6.006 450 2HE2 GLN 61 2HE2 GLN 61 -1.710 -4.143 6.479 451 H GLU 62 H GLU 62 -7.603 -2.780 5.579 452 HA GLU 62 HA GLU 62 -9.735 -4.056 4.282 453 1HB GLU 62 2HB GLU 62 -9.185 -1.300 5.386 454 2HB GLU 62 3HB GLU 62 -10.547 -1.441 4.291 455 1HG GLU 62 2HG GLU 62 -11.418 -3.344 5.722 456 2HG GLU 62 3HG GLU 62 -10.153 -2.930 6.900 457 H LYS 63 H LYS 63 -7.842 -1.226 3.084 458 HA LYS 63 HA LYS 63 -9.225 -1.104 0.632 459 1HB LYS 63 2HB LYS 63 -6.775 0.022 1.889 460 2HB LYS 63 3HB LYS 63 -6.778 0.060 0.152 461 1HG LYS 63 2HG LYS 63 -9.134 1.119 1.730 462 2HG LYS 63 3HG LYS 63 -7.685 2.082 1.487 463 1HD LYS 63 2HD LYS 63 -9.185 2.765 -0.237 464 2HD LYS 63 3HD LYS 63 -7.834 1.916 -0.944 465 1HE LYS 63 2HE LYS 63 -9.924 1.328 -2.066 466 2HE LYS 63 3HE LYS 63 -9.224 -0.091 -1.302 467 1HZ LYS 63 1HZ LYS 63 -10.787 0.232 0.529 468 2HZ LYS 63 2HZ LYS 63 -11.447 1.531 -0.237 469 3HZ LYS 63 3HZ LYS 63 -11.562 0.031 -0.902 470 H ILE 64 H ILE 64 -6.157 -2.702 1.533 471 HA ILE 64 HA ILE 64 -5.038 -3.305 -0.872 472 HB ILE 64 HB ILE 64 -5.046 -4.319 1.886 473 1HG1 ILE 64 2HG1 ILE 64 -3.636 -2.454 0.869 474 2HG1 ILE 64 3HG1 ILE 64 -2.853 -3.671 1.877 475 1HG2 ILE 64 1HG2 ILE 64 -4.003 -6.062 -0.310 476 2HG2 ILE 64 2HG2 ILE 64 -3.525 -6.165 1.409 477 3HG2 ILE 64 3HG2 ILE 64 -5.197 -6.451 0.957 478 1HD1 ILE 64 1HD1 ILE 64 -1.544 -3.157 -0.125 479 2HD1 ILE 64 2HD1 ILE 64 -2.059 -4.858 -0.062 480 3HD1 ILE 64 3HD1 ILE 64 -2.873 -3.726 -1.164 481 H GLU 65 H GLU 65 -7.408 -5.240 1.059 482 HA GLU 65 HA GLU 65 -7.909 -7.323 -0.786 483 1HB GLU 65 2HB GLU 65 -9.646 -6.010 1.355 484 2HB GLU 65 3HB GLU 65 -10.127 -7.469 0.479 485 1HG GLU 65 2HG GLU 65 -7.449 -7.453 1.867 486 2HG GLU 65 3HG GLU 65 -8.929 -7.639 2.815 487 H LYS 66 H LYS 66 -9.812 -4.324 -0.237 488 HA LYS 66 HA LYS 66 -11.661 -4.762 -2.314 489 1HB LYS 66 2HB LYS 66 -10.900 -2.555 -0.530 490 2HB LYS 66 3HB LYS 66 -11.365 -1.940 -2.114 491 1HG LYS 66 2HG LYS 66 -13.055 -3.940 -0.560 492 2HG LYS 66 3HG LYS 66 -13.227 -2.192 -0.375 493 1HD LYS 66 2HD LYS 66 -13.669 -1.947 -2.812 494 2HD LYS 66 3HD LYS 66 -13.534 -3.700 -3.020 495 1HE LYS 66 2HE LYS 66 -15.442 -4.039 -1.453 496 2HE LYS 66 3HE LYS 66 -15.582 -2.287 -1.235 497 1HZ LYS 66 1HZ LYS 66 -16.099 -2.100 -3.576 498 2HZ LYS 66 2HZ LYS 66 -15.964 -3.728 -3.779 499 3HZ LYS 66 3HZ LYS 66 -17.154 -3.112 -2.829 500 H LEU 67 H LEU 67 -8.458 -3.354 -2.498 501 HA LEU 67 HA LEU 67 -8.634 -2.365 -5.212 502 1HB LEU 67 2HB LEU 67 -6.351 -2.920 -3.305 503 2HB LEU 67 3HB LEU 67 -6.113 -2.249 -4.916 504 HG LEU 67 HG LEU 67 -8.034 -0.948 -2.955 505 1HD1 LEU 67 1HD1 LEU 67 -5.869 -1.119 -1.823 506 2HD1 LEU 67 2HD1 LEU 67 -5.076 -0.373 -3.205 507 3HD1 LEU 67 3HD1 LEU 67 -6.241 0.560 -2.257 508 1HD2 LEU 67 1HD2 LEU 67 -6.672 -0.058 -5.507 509 2HD2 LEU 67 2HD2 LEU 67 -8.390 -0.053 -5.096 510 3HD2 LEU 67 3HD2 LEU 67 -7.297 1.105 -4.326 511 H GLY 68 H GLY 68 -8.248 -5.526 -3.815 512 1HA GLY 68 2HA GLY 68 -8.297 -7.523 -4.938 513 2HA GLY 68 3HA GLY 68 -7.970 -6.714 -6.478 514 H TYR 69 H TYR 69 -6.170 -6.610 -3.334 515 HA TYR 69 HA TYR 69 -3.861 -8.030 -4.583 516 1HB TYR 69 2HB TYR 69 -4.046 -5.214 -4.034 517 2HB TYR 69 3HB TYR 69 -2.998 -5.898 -2.817 518 HD1 TYR 69 HD1 TYR 69 -0.729 -6.340 -3.359 519 HD2 TYR 69 HD2 TYR 69 -3.641 -5.938 -6.513 520 HE1 TYR 69 HE1 TYR 69 1.069 -5.973 -4.993 521 HE2 TYR 69 HE2 TYR 69 -1.850 -5.764 -8.160 522 HH TYR 69 HH TYR 69 0.462 -5.590 -8.493 523 H HIS 70 H HIS 70 -2.227 -8.561 -2.777 524 HA HIS 70 HA HIS 70 -3.276 -8.277 -0.084 525 1HB HIS 70 2HB HIS 70 -4.057 -10.567 -0.991 526 2HB HIS 70 3HB HIS 70 -2.358 -11.046 -0.913 527 HD1 HIS 70 1HD HIS 70 -4.290 -8.954 1.741 528 HD2 HIS 70 2HD HIS 70 -2.690 -12.790 1.096 529 HE1 HIS 70 1HE HIS 70 -4.469 -10.199 3.955 530 H VAL 71 H VAL 71 -1.620 -7.799 1.354 531 HA VAL 71 HA VAL 71 1.121 -7.870 0.291 532 HB VAL 71 HB VAL 71 1.517 -6.294 2.174 533 1HG1 VAL 71 1HG1 VAL 71 1.600 -5.292 0.130 534 2HG1 VAL 71 2HG1 VAL 71 -0.058 -5.712 -0.304 535 3HG1 VAL 71 3HG1 VAL 71 0.245 -4.397 0.846 536 1HG2 VAL 71 1HG2 VAL 71 -0.563 -6.770 3.487 537 2HG2 VAL 71 2HG2 VAL 71 -0.279 -5.052 3.172 538 3HG2 VAL 71 3HG2 VAL 71 -1.492 -5.919 2.232 539 H VAL 72 H VAL 72 2.800 -8.303 1.866 540 HA VAL 72 HA VAL 72 2.061 -10.434 3.800 541 HB VAL 72 HB VAL 72 4.362 -10.617 1.923 542 1HG1 VAL 72 1HG1 VAL 72 4.550 -11.898 4.053 543 2HG1 VAL 72 2HG1 VAL 72 3.004 -12.692 3.697 544 3HG1 VAL 72 3HG1 VAL 72 4.416 -12.971 2.657 545 1HG2 VAL 72 1HG2 VAL 72 2.377 -10.799 0.506 546 2HG2 VAL 72 2HG2 VAL 72 3.038 -12.416 0.753 547 3HG2 VAL 72 3HG2 VAL 72 1.609 -11.901 1.672 548 H ILE 73 H ILE 73 3.329 -10.465 5.603 549 HA ILE 73 HA ILE 73 5.172 -8.149 6.051 550 HB ILE 73 HB ILE 73 3.212 -9.381 7.986 551 1HG1 ILE 73 2HG1 ILE 73 2.067 -8.016 6.248 552 2HG1 ILE 73 3HG1 ILE 73 1.989 -7.358 7.873 553 1HG2 ILE 73 1HG2 ILE 73 5.168 -8.575 9.170 554 2HG2 ILE 73 2HG2 ILE 73 5.196 -7.073 8.249 555 3HG2 ILE 73 3HG2 ILE 73 3.877 -7.398 9.398 556 1HD1 ILE 73 1HD1 ILE 73 2.363 -5.624 6.135 557 2HD1 ILE 73 2HD1 ILE 73 3.623 -5.640 7.377 558 3HD1 ILE 73 3HD1 ILE 73 3.935 -6.357 5.784 559 H GLU 74 H GLU 74 6.839 -9.768 5.260 560 HA GLU 74 HA GLU 74 7.476 -11.905 6.940 561 1HB GLU 74 2HB GLU 74 8.894 -10.475 4.681 562 2HB GLU 74 3HB GLU 74 9.546 -11.886 5.498 563 1HG GLU 74 2HG GLU 74 7.550 -13.216 4.879 564 2HG GLU 74 3HG GLU 74 6.836 -11.799 4.088 565 H GLY 75 H GLY 75 7.702 -8.812 7.578 566 1HA GLY 75 2HA GLY 75 10.418 -8.610 8.723 567 2HA GLY 75 3HA GLY 75 9.229 -7.317 8.558 568 H ARG 76 H ARG 76 7.073 -8.906 9.914 569 HA ARG 76 HA ARG 76 7.848 -8.245 12.675 570 1HB ARG 76 2HB ARG 76 5.774 -7.211 11.853 571 2HB ARG 76 3HB ARG 76 5.154 -8.816 11.397 572 1HG ARG 76 2HG ARG 76 5.156 -9.547 13.716 573 2HG ARG 76 3HG ARG 76 5.828 -8.001 14.248 574 1HD ARG 76 2HD ARG 76 3.219 -8.222 12.670 575 2HD ARG 76 3HD ARG 76 3.218 -8.477 14.401 576 HE ARG 76 HE ARG 76 3.441 -5.955 12.973 577 1HH1 ARG 76 2HH2 ARG 76 4.410 -7.567 15.931 578 2HH1 ARG 76 1HH2 ARG 76 4.259 -6.182 16.969 579 1HH2 ARG 76 2HH1 ARG 76 3.224 -4.047 14.296 580 2HH2 ARG 76 1HH1 ARG 76 3.600 -4.112 15.987 Start of MODEL 2 1 1H MET 1 H1 MET 1 3.331 17.682 12.713 2 2H MET 1 H2 MET 1 4.705 17.236 13.523 3 3H MET 1 H3 MET 1 3.385 16.232 13.427 4 HA MET 1 HA MET 1 3.749 17.440 15.594 5 1HB MET 1 2HB MET 1 2.838 19.678 13.746 6 2HB MET 1 3HB MET 1 2.353 19.658 15.447 7 1HG MET 1 2HG MET 1 4.675 19.585 16.177 8 2HG MET 1 3HG MET 1 5.226 19.704 14.494 9 1HE MET 1 1HE MET 1 5.954 21.661 17.046 10 2HE MET 1 2HE MET 1 6.709 21.805 15.436 11 3HE MET 1 3HE MET 1 5.968 23.228 16.207 12 H LEU 2 H LEU 2 0.848 18.679 13.946 13 HA LEU 2 HA LEU 2 -0.924 17.474 15.683 14 1HB LEU 2 2HB LEU 2 -1.138 19.227 13.586 15 2HB LEU 2 3HB LEU 2 -1.807 17.796 12.821 16 HG LEU 2 HG LEU 2 -3.597 19.063 13.680 17 1HD1 LEU 2 1HD1 LEU 2 -3.781 16.607 14.106 18 2HD1 LEU 2 2HD1 LEU 2 -3.205 16.879 15.768 19 3HD1 LEU 2 3HD1 LEU 2 -4.726 17.602 15.228 20 1HD2 LEU 2 1HD2 LEU 2 -2.235 19.170 16.404 21 2HD2 LEU 2 2HD2 LEU 2 -2.336 20.496 15.228 22 3HD2 LEU 2 3HD2 LEU 2 -3.809 19.858 15.975 23 H SER 3 H SER 3 0.267 16.291 12.575 24 HA SER 3 HA SER 3 -0.255 13.480 13.344 25 1HB SER 3 2HB SER 3 -0.208 14.808 10.582 26 2HB SER 3 3HB SER 3 -0.096 13.063 10.839 27 HG SER 3 HG SER 3 -2.103 12.967 11.478 28 H GLU 4 H GLU 4 1.578 12.150 12.619 29 HA GLU 4 HA GLU 4 4.041 13.513 11.765 30 1HB GLU 4 2HB GLU 4 3.529 11.256 13.641 31 2HB GLU 4 3HB GLU 4 4.947 11.209 12.638 32 1HG GLU 4 2HG GLU 4 5.329 13.612 13.510 33 2HG GLU 4 3HG GLU 4 4.169 13.143 14.753 34 H GLN 5 H GLN 5 5.249 11.495 10.502 35 HA GLN 5 HA GLN 5 3.309 9.958 8.893 36 1HB GLN 5 2HB GLN 5 5.644 11.651 7.968 37 2HB GLN 5 3HB GLN 5 4.906 10.460 6.918 38 1HG GLN 5 2HG GLN 5 3.282 12.730 8.199 39 2HG GLN 5 3HG GLN 5 4.244 12.959 6.760 40 1HE2 GLN 5 1HE2 GLN 5 3.022 9.736 6.690 41 2HE2 GLN 5 2HE2 GLN 5 1.677 10.088 5.633 42 H LYS 6 H LYS 6 4.243 7.915 8.250 43 HA LYS 6 HA LYS 6 7.113 7.636 8.451 44 1HB LYS 6 2HB LYS 6 5.264 5.825 10.076 45 2HB LYS 6 3HB LYS 6 6.833 5.294 9.459 46 1HG LYS 6 2HG LYS 6 7.844 7.374 10.529 47 2HG LYS 6 3HG LYS 6 6.350 7.536 11.450 48 1HD LYS 6 2HD LYS 6 6.806 5.691 12.766 49 2HD LYS 6 3HD LYS 6 7.581 4.797 11.446 50 1HE LYS 6 2HE LYS 6 9.565 6.327 11.575 51 2HE LYS 6 3HE LYS 6 8.840 7.107 12.994 52 1HZ LYS 6 1HZ LYS 6 8.949 4.966 14.102 53 2HZ LYS 6 2HZ LYS 6 9.604 4.267 12.760 54 3HZ LYS 6 3HZ LYS 6 10.439 5.423 13.574 55 H GLU 7 H GLU 7 7.878 5.728 7.445 56 HA GLU 7 HA GLU 7 6.431 5.180 4.936 57 1HB GLU 7 2HB GLU 7 9.441 5.224 5.262 58 2HB GLU 7 3HB GLU 7 8.409 5.507 3.869 59 1HG GLU 7 2HG GLU 7 9.309 7.610 4.405 60 2HG GLU 7 3HG GLU 7 7.735 7.711 5.204 61 H ILE 8 H ILE 8 5.602 3.181 5.695 62 HA ILE 8 HA ILE 8 7.448 1.260 6.956 63 HB ILE 8 HB ILE 8 4.557 1.185 6.285 64 1HG1 ILE 8 2HG1 ILE 8 4.388 0.987 8.885 65 2HG1 ILE 8 3HG1 ILE 8 6.100 1.415 8.951 66 1HG2 ILE 8 1HG2 ILE 8 5.315 -0.999 6.154 67 2HG2 ILE 8 2HG2 ILE 8 6.265 -0.784 7.680 68 3HG2 ILE 8 3HG2 ILE 8 4.469 -0.792 7.695 69 1HD1 ILE 8 1HD1 ILE 8 4.324 3.224 9.334 70 2HD1 ILE 8 2HD1 ILE 8 5.615 3.615 8.182 71 3HD1 ILE 8 3HD1 ILE 8 4.010 3.107 7.581 72 H ALA 9 H ALA 9 7.476 -0.872 5.932 73 HA ALA 9 HA ALA 9 7.633 -0.827 2.958 74 1HB ALA 9 1HB ALA 9 9.671 -2.077 4.849 75 2HB ALA 9 2HB ALA 9 9.654 -2.214 3.080 76 3HB ALA 9 3HB ALA 9 9.940 -0.639 3.844 77 H MET 10 H MET 10 6.522 -2.581 2.113 78 HA MET 10 HA MET 10 5.886 -4.874 3.870 79 1HB MET 10 2HB MET 10 4.100 -2.705 3.195 80 2HB MET 10 3HB MET 10 3.605 -4.103 2.235 81 1HG MET 10 2HG MET 10 3.473 -5.463 4.122 82 2HG MET 10 3HG MET 10 4.103 -4.238 5.228 83 1HE MET 10 1HE MET 10 2.713 -1.655 4.992 84 2HE MET 10 2HE MET 10 1.200 -1.883 5.903 85 3HE MET 10 3HE MET 10 2.713 -2.590 6.510 86 H GLN 11 H GLN 11 4.988 -6.676 2.555 87 HA GLN 11 HA GLN 11 6.411 -6.847 -0.060 88 1HB GLN 11 2HB GLN 11 5.664 -8.835 2.117 89 2HB GLN 11 3HB GLN 11 5.711 -9.405 0.458 90 1HG GLN 11 2HG GLN 11 7.989 -8.115 2.021 91 2HG GLN 11 3HG GLN 11 7.850 -9.824 1.567 92 1HE2 GLN 11 1HE2 GLN 11 6.974 -9.658 -1.104 93 2HE2 GLN 11 2HE2 GLN 11 8.018 -8.602 -2.036 94 H VAL 12 H VAL 12 5.293 -7.602 -1.883 95 HA VAL 12 HA VAL 12 2.337 -7.150 -1.754 96 HB VAL 12 HB VAL 12 4.293 -7.020 -4.092 97 1HG1 VAL 12 1HG1 VAL 12 1.338 -6.318 -3.831 98 2HG1 VAL 12 2HG1 VAL 12 2.360 -5.872 -5.213 99 3HG1 VAL 12 3HG1 VAL 12 2.044 -7.577 -4.875 100 1HG2 VAL 12 1HG2 VAL 12 4.725 -5.162 -2.561 101 2HG2 VAL 12 2HG2 VAL 12 3.826 -4.544 -3.948 102 3HG2 VAL 12 3HG2 VAL 12 2.980 -4.833 -2.419 103 H SER 13 H SER 13 0.904 -8.728 -2.775 104 HA SER 13 HA SER 13 2.100 -10.991 -4.171 105 1HB SER 13 2HB SER 13 0.616 -11.356 -1.533 106 2HB SER 13 3HB SER 13 0.861 -12.662 -2.699 107 HG SER 13 HG SER 13 3.164 -11.286 -2.061 108 H GLY 14 H GLY 14 0.384 -12.388 -5.089 109 1HA GLY 14 2HA GLY 14 -1.555 -12.704 -6.272 110 2HA GLY 14 3HA GLY 14 -2.371 -11.691 -5.072 111 H MET 15 H MET 15 -0.251 -11.499 -8.005 112 HA MET 15 HA MET 15 -1.672 -9.153 -8.993 113 1HB MET 15 2HB MET 15 0.321 -7.758 -9.013 114 2HB MET 15 3HB MET 15 -0.051 -8.259 -7.351 115 1HG MET 15 2HG MET 15 2.240 -8.507 -7.413 116 2HG MET 15 3HG MET 15 1.706 -10.143 -7.776 117 1HE MET 15 1HE MET 15 2.863 -11.449 -9.541 118 2HE MET 15 2HE MET 15 4.271 -10.753 -10.371 119 3HE MET 15 3HE MET 15 4.167 -10.683 -8.593 120 H THR 16 H THR 16 -0.630 -8.468 -11.105 121 HA THR 16 HA THR 16 0.731 -10.736 -12.510 122 HB THR 16 HB THR 16 -0.198 -9.394 -14.588 123 HG1 THR 16 1HG THR 16 -2.203 -8.931 -12.630 124 1HG2 THR 16 1HG2 THR 16 -0.679 -11.744 -14.142 125 2HG2 THR 16 2HG2 THR 16 -1.886 -11.304 -12.915 126 3HG2 THR 16 3HG2 THR 16 -2.160 -10.901 -14.627 127 H CYS 17 H CYS 17 0.571 -7.097 -12.169 128 HA CYS 17 HA CYS 17 3.432 -7.054 -12.862 129 1HB CYS 17 2HB CYS 17 3.121 -5.536 -14.720 130 2HB CYS 17 3HB CYS 17 2.121 -6.961 -15.010 131 H ALA 18 H ALA 18 4.146 -4.676 -12.913 132 HA ALA 18 HA ALA 18 3.637 -3.590 -10.293 133 1HB ALA 18 1HB ALA 18 5.203 -2.433 -12.631 134 2HB ALA 18 2HB ALA 18 5.271 -1.891 -10.939 135 3HB ALA 18 3HB ALA 18 5.849 -3.513 -11.375 136 H ALA 19 H ALA 19 2.211 -3.029 -13.466 137 HA ALA 19 HA ALA 19 1.533 -0.280 -13.106 138 1HB ALA 19 1HB ALA 19 1.551 -1.443 -15.306 139 2HB ALA 19 2HB ALA 19 0.082 -2.325 -14.829 140 3HB ALA 19 3HB ALA 19 0.044 -0.563 -14.985 141 H CYS 20 H CYS 20 -0.379 -3.301 -12.491 142 HA CYS 20 HA CYS 20 -2.542 -1.756 -11.340 143 1HB CYS 20 2HB CYS 20 -3.283 -3.994 -10.403 144 2HB CYS 20 3HB CYS 20 -3.251 -3.833 -12.162 145 H ALA 21 H ALA 21 0.308 -3.414 -10.008 146 HA ALA 21 HA ALA 21 -0.116 -2.799 -7.326 147 1HB ALA 21 1HB ALA 21 1.818 -4.103 -8.587 148 2HB ALA 21 2HB ALA 21 2.671 -2.556 -8.404 149 3HB ALA 21 3HB ALA 21 2.045 -3.429 -6.983 150 H ALA 22 H ALA 22 0.877 -0.560 -9.914 151 HA ALA 22 HA ALA 22 1.452 1.656 -8.153 152 1HB ALA 22 1HB ALA 22 1.328 3.010 -10.148 153 2HB ALA 22 2HB ALA 22 2.190 1.506 -10.543 154 3HB ALA 22 3HB ALA 22 0.501 1.728 -11.042 155 H ARG 23 H ARG 23 -1.418 0.642 -10.077 156 HA ARG 23 HA ARG 23 -3.188 2.696 -9.305 157 1HB ARG 23 2HB ARG 23 -3.659 -0.193 -10.101 158 2HB ARG 23 3HB ARG 23 -4.937 0.696 -9.311 159 1HG ARG 23 2HG ARG 23 -5.474 1.006 -11.443 160 2HG ARG 23 3HG ARG 23 -4.689 2.533 -11.048 161 1HD ARG 23 2HD ARG 23 -2.745 1.938 -12.402 162 2HD ARG 23 3HD ARG 23 -3.166 0.237 -12.340 163 HE ARG 23 HE ARG 23 -4.532 0.390 -14.098 164 1HH1 ARG 23 2HH2 ARG 23 -3.973 3.654 -12.939 165 2HH1 ARG 23 1HH2 ARG 23 -5.009 4.437 -14.097 166 1HH2 ARG 23 2HH1 ARG 23 -5.998 1.355 -15.602 167 2HH2 ARG 23 1HH1 ARG 23 -6.190 3.075 -15.656 168 H ILE 24 H ILE 24 -2.581 -0.437 -7.559 169 HA ILE 24 HA ILE 24 -4.488 0.166 -5.587 170 HB ILE 24 HB ILE 24 -3.709 -1.522 -4.200 171 1HG1 ILE 24 2HG1 ILE 24 -1.161 -1.248 -5.691 172 2HG1 ILE 24 3HG1 ILE 24 -1.458 -1.093 -3.947 173 1HG2 ILE 24 1HG2 ILE 24 -3.985 -3.303 -5.616 174 2HG2 ILE 24 2HG2 ILE 24 -4.734 -2.001 -6.532 175 3HG2 ILE 24 3HG2 ILE 24 -3.107 -2.563 -6.967 176 1HD1 ILE 24 1HD1 ILE 24 -0.245 -3.141 -4.395 177 2HD1 ILE 24 2HD1 ILE 24 -1.894 -3.534 -3.841 178 3HD1 ILE 24 3HD1 ILE 24 -1.467 -3.617 -5.577 179 H GLU 25 H GLU 25 -0.919 0.709 -5.210 180 HA GLU 25 HA GLU 25 -1.066 2.135 -2.825 181 1HB GLU 25 2HB GLU 25 0.835 2.065 -5.150 182 2HB GLU 25 3HB GLU 25 0.987 3.427 -4.028 183 1HG GLU 25 2HG GLU 25 2.438 1.486 -3.431 184 2HG GLU 25 3HG GLU 25 1.347 1.973 -2.139 185 H LYS 26 H LYS 26 -1.625 3.434 -6.122 186 HA LYS 26 HA LYS 26 -1.730 6.142 -5.091 187 1HB LYS 26 2HB LYS 26 -2.445 5.040 -7.776 188 2HB LYS 26 3HB LYS 26 -2.919 6.665 -7.277 189 1HG LYS 26 2HG LYS 26 -0.874 7.003 -8.334 190 2HG LYS 26 3HG LYS 26 -0.495 7.143 -6.612 191 1HD LYS 26 2HD LYS 26 0.331 4.743 -6.658 192 2HD LYS 26 3HD LYS 26 -0.173 4.717 -8.339 193 1HE LYS 26 2HE LYS 26 2.041 5.153 -8.710 194 2HE LYS 26 3HE LYS 26 1.494 6.820 -8.536 195 1HZ LYS 26 1HZ LYS 26 3.424 6.419 -7.210 196 2HZ LYS 26 2HZ LYS 26 2.183 6.638 -6.154 197 3HZ LYS 26 3HZ LYS 26 2.741 5.135 -6.453 198 H GLY 27 H GLY 27 -4.196 3.641 -5.757 199 1HA GLY 27 2HA GLY 27 -6.473 5.284 -5.040 200 2HA GLY 27 3HA GLY 27 -6.425 3.525 -5.154 201 H LEU 28 H LEU 28 -4.062 3.427 -3.247 202 HA LEU 28 HA LEU 28 -5.484 3.356 -0.730 203 1HB LEU 28 2HB LEU 28 -3.294 2.085 -1.697 204 2HB LEU 28 3HB LEU 28 -2.479 3.349 -0.777 205 HG LEU 28 HG LEU 28 -4.640 1.472 0.299 206 1HD1 LEU 28 1HD1 LEU 28 -2.814 0.209 1.343 207 2HD1 LEU 28 2HD1 LEU 28 -2.658 0.192 -0.420 208 3HD1 LEU 28 3HD1 LEU 28 -1.612 1.251 0.547 209 1HD2 LEU 28 1HD2 LEU 28 -4.313 3.612 1.586 210 2HD2 LEU 28 2HD2 LEU 28 -3.836 2.188 2.503 211 3HD2 LEU 28 3HD2 LEU 28 -2.589 3.188 1.715 212 H LYS 29 H LYS 29 -3.059 5.466 -2.222 213 HA LYS 29 HA LYS 29 -2.707 7.435 -0.331 214 1HB LYS 29 2HB LYS 29 -1.932 7.079 -2.930 215 2HB LYS 29 3HB LYS 29 -3.140 8.361 -3.159 216 1HG LYS 29 2HG LYS 29 -1.918 9.558 -1.225 217 2HG LYS 29 3HG LYS 29 -0.703 8.287 -1.432 218 1HD LYS 29 2HD LYS 29 0.262 9.714 -3.005 219 2HD LYS 29 3HD LYS 29 -1.020 9.133 -4.051 220 1HE LYS 29 2HE LYS 29 -0.999 11.535 -4.155 221 2HE LYS 29 3HE LYS 29 -2.461 11.073 -3.260 222 1HZ LYS 29 1HZ LYS 29 -1.190 11.580 -1.209 223 2HZ LYS 29 2HZ LYS 29 0.115 11.937 -2.074 224 3HZ LYS 29 3HZ LYS 29 -1.214 12.902 -2.196 225 H ARG 30 H ARG 30 -5.632 6.814 -2.116 226 HA ARG 30 HA ARG 30 -6.764 9.469 -1.614 227 1HB ARG 30 2HB ARG 30 -7.402 7.080 -3.266 228 2HB ARG 30 3HB ARG 30 -8.825 7.875 -2.625 229 1HG ARG 30 2HG ARG 30 -6.560 9.363 -4.001 230 2HG ARG 30 3HG ARG 30 -7.945 8.715 -4.891 231 1HD ARG 30 2HD ARG 30 -9.440 10.245 -4.061 232 2HD ARG 30 3HD ARG 30 -8.636 10.354 -2.487 233 HE ARG 30 HE ARG 30 -7.008 11.495 -4.577 234 1HH1 ARG 30 2HH2 ARG 30 -9.820 12.149 -2.561 235 2HH1 ARG 30 1HH2 ARG 30 -9.568 13.864 -2.458 236 1HH2 ARG 30 2HH1 ARG 30 -6.617 13.782 -4.460 237 2HH2 ARG 30 1HH1 ARG 30 -7.702 14.809 -3.584 238 H MET 31 H MET 31 -6.257 6.949 0.491 239 HA MET 31 HA MET 31 -8.918 7.113 1.740 240 1HB MET 31 2HB MET 31 -8.511 5.100 2.556 241 2HB MET 31 3HB MET 31 -7.257 5.017 1.326 242 1HG MET 31 2HG MET 31 -5.550 5.588 2.910 243 2HG MET 31 3HG MET 31 -6.753 5.760 4.192 244 1HE MET 31 1HE MET 31 -8.039 2.217 4.894 245 2HE MET 31 2HE MET 31 -8.089 3.931 5.386 246 3HE MET 31 3HE MET 31 -8.779 3.407 3.837 247 HA PRO 32 HA PRO 32 -7.634 9.918 4.976 248 1HB PRO 32 2HB PRO 32 -8.858 8.908 7.223 249 2HB PRO 32 3HB PRO 32 -9.749 9.738 5.914 250 1HG PRO 32 2HG PRO 32 -9.367 6.758 6.297 251 2HG PRO 32 3HG PRO 32 -10.898 7.630 5.994 252 1HD PRO 32 2HD PRO 32 -9.552 6.436 3.990 253 2HD PRO 32 3HD PRO 32 -10.303 8.031 3.712 254 H GLY 33 H GLY 33 -5.725 10.022 6.133 255 1HA GLY 33 2HA GLY 33 -4.224 9.278 7.769 256 2HA GLY 33 3HA GLY 33 -4.711 7.600 7.532 257 H VAL 34 H VAL 34 -4.444 7.575 4.547 258 HA VAL 34 HA VAL 34 -1.477 7.431 4.531 259 HB VAL 34 HB VAL 34 -3.450 6.471 2.456 260 1HG1 VAL 34 1HG1 VAL 34 -1.220 7.007 1.521 261 2HG1 VAL 34 2HG1 VAL 34 -0.443 6.067 2.804 262 3HG1 VAL 34 3HG1 VAL 34 -1.467 5.264 1.592 263 1HG2 VAL 34 1HG2 VAL 34 -2.172 5.287 4.944 264 2HG2 VAL 34 2HG2 VAL 34 -3.801 5.061 4.320 265 3HG2 VAL 34 3HG2 VAL 34 -2.428 4.247 3.554 266 H THR 35 H THR 35 -0.266 9.052 3.857 267 HA THR 35 HA THR 35 -1.567 11.321 2.516 268 HB THR 35 HB THR 35 1.120 10.980 3.737 269 HG1 THR 35 1HG THR 35 0.110 12.262 5.336 270 1HG2 THR 35 1HG2 THR 35 -0.232 13.435 2.547 271 2HG2 THR 35 2HG2 THR 35 1.186 13.493 3.616 272 3HG2 THR 35 3HG2 THR 35 1.311 12.703 2.038 273 H ASP 36 H ASP 36 1.302 9.105 1.950 274 HA ASP 36 HA ASP 36 0.924 9.472 -0.916 275 1HB ASP 36 2HB ASP 36 3.364 10.344 0.607 276 2HB ASP 36 3HB ASP 36 3.492 9.695 -1.027 277 H ALA 37 H ALA 37 2.212 7.829 -2.102 278 HA ALA 37 HA ALA 37 2.900 5.417 -0.640 279 1HB ALA 37 1HB ALA 37 0.401 5.362 -0.516 280 2HB ALA 37 2HB ALA 37 0.338 5.453 -2.288 281 3HB ALA 37 3HB ALA 37 1.050 4.037 -1.483 282 H ASN 38 H ASN 38 4.019 3.871 -1.871 283 HA ASN 38 HA ASN 38 4.580 4.535 -4.698 284 1HB ASN 38 2HB ASN 38 7.129 4.360 -3.490 285 2HB ASN 38 3HB ASN 38 6.380 5.751 -4.250 286 1HD2 ASN 38 1HD2 ASN 38 5.920 4.135 -1.033 287 2HD2 ASN 38 2HD2 ASN 38 6.224 5.616 -0.129 288 H VAL 39 H VAL 39 4.321 2.537 -5.527 289 HA VAL 39 HA VAL 39 5.023 0.198 -3.950 290 HB VAL 39 HB VAL 39 3.068 0.335 -5.469 291 1HG1 VAL 39 1HG1 VAL 39 3.340 -0.029 -7.871 292 2HG1 VAL 39 2HG1 VAL 39 4.088 1.508 -7.412 293 3HG1 VAL 39 3HG1 VAL 39 5.093 0.080 -7.742 294 1HG2 VAL 39 1HG2 VAL 39 4.308 -1.806 -4.679 295 2HG2 VAL 39 2HG2 VAL 39 3.127 -1.895 -5.978 296 3HG2 VAL 39 3HG2 VAL 39 4.864 -1.903 -6.368 297 H ASN 40 H ASN 40 6.922 -1.078 -4.235 298 HA ASN 40 HA ASN 40 9.010 0.036 -6.063 299 1HB ASN 40 2HB ASN 40 9.316 0.729 -3.673 300 2HB ASN 40 3HB ASN 40 9.403 -0.981 -3.221 301 1HD2 ASN 40 1HD2 ASN 40 11.574 0.142 -2.430 302 2HD2 ASN 40 2HD2 ASN 40 12.908 0.004 -3.564 303 H LEU 41 H LEU 41 7.447 -1.688 -7.052 304 HA LEU 41 HA LEU 41 7.897 -4.424 -6.452 305 1HB LEU 41 2HB LEU 41 6.193 -2.882 -8.140 306 2HB LEU 41 3HB LEU 41 7.039 -3.966 -9.220 307 HG LEU 41 HG LEU 41 4.801 -4.690 -8.319 308 1HD1 LEU 41 1HD1 LEU 41 6.320 -6.279 -9.400 309 2HD1 LEU 41 2HD1 LEU 41 7.154 -6.573 -7.862 310 3HD1 LEU 41 3HD1 LEU 41 5.458 -7.060 -8.063 311 1HD2 LEU 41 1HD2 LEU 41 5.329 -4.023 -5.883 312 2HD2 LEU 41 2HD2 LEU 41 4.462 -5.537 -6.194 313 3HD2 LEU 41 3HD2 LEU 41 6.171 -5.578 -5.770 314 H ALA 42 H ALA 42 9.766 -2.157 -8.231 315 HA ALA 42 HA ALA 42 11.488 -3.686 -9.800 316 1HB ALA 42 1HB ALA 42 13.220 -2.077 -9.143 317 2HB ALA 42 2HB ALA 42 11.685 -1.227 -9.448 318 3HB ALA 42 3HB ALA 42 12.232 -1.535 -7.778 319 H THR 43 H THR 43 11.273 -3.513 -6.216 320 HA THR 43 HA THR 43 12.992 -5.928 -6.133 321 HB THR 43 HB THR 43 14.364 -4.078 -5.440 322 HG1 THR 43 1HG THR 43 14.283 -6.210 -4.267 323 1HG2 THR 43 1HG2 THR 43 12.698 -2.493 -4.620 324 2HG2 THR 43 2HG2 THR 43 12.323 -3.551 -3.241 325 3HG2 THR 43 3HG2 THR 43 13.924 -2.805 -3.381 326 H GLU 44 H GLU 44 10.251 -5.833 -6.506 327 HA GLU 44 HA GLU 44 8.299 -6.692 -5.772 328 1HB GLU 44 2HB GLU 44 10.371 -8.392 -4.329 329 2HB GLU 44 3HB GLU 44 8.671 -8.844 -4.515 330 1HG GLU 44 2HG GLU 44 8.824 -8.798 -6.942 331 2HG GLU 44 3HG GLU 44 10.501 -8.231 -6.871 332 H THR 45 H THR 45 9.210 -4.360 -4.034 333 HA THR 45 HA THR 45 7.902 -5.083 -1.451 334 HB THR 45 HB THR 45 10.063 -3.046 -2.162 335 HG1 THR 45 1HG THR 45 10.718 -5.296 -2.119 336 1HG2 THR 45 1HG2 THR 45 8.800 -2.253 -0.217 337 2HG2 THR 45 2HG2 THR 45 8.927 -3.872 0.530 338 3HG2 THR 45 3HG2 THR 45 10.373 -2.877 0.289 339 H VAL 46 H VAL 46 6.676 -3.246 -0.479 340 HA VAL 46 HA VAL 46 5.905 -1.061 -2.347 341 HB VAL 46 HB VAL 46 3.970 -2.453 -2.347 342 1HG1 VAL 46 1HG1 VAL 46 2.827 -3.190 -0.255 343 2HG1 VAL 46 2HG1 VAL 46 4.391 -3.968 -0.483 344 3HG1 VAL 46 3HG1 VAL 46 4.230 -2.618 0.669 345 1HG2 VAL 46 1HG2 VAL 46 2.296 -1.107 -1.230 346 2HG2 VAL 46 2HG2 VAL 46 3.493 -0.335 -0.197 347 3HG2 VAL 46 3HG2 VAL 46 3.528 -0.042 -1.952 348 H ASN 47 H ASN 47 5.726 1.024 -1.335 349 HA ASN 47 HA ASN 47 6.353 1.068 1.555 350 1HB ASN 47 2HB ASN 47 7.616 2.671 -0.703 351 2HB ASN 47 3HB ASN 47 7.466 3.347 0.924 352 1HD2 ASN 47 1HD2 ASN 47 8.207 1.728 2.764 353 2HD2 ASN 47 2HD2 ASN 47 9.843 1.171 2.459 354 H VAL 48 H VAL 48 5.060 2.533 2.693 355 HA VAL 48 HA VAL 48 3.049 4.033 1.126 356 HB VAL 48 HB VAL 48 2.082 1.860 1.467 357 1HG1 VAL 48 1HG1 VAL 48 2.654 2.181 4.431 358 2HG1 VAL 48 2HG1 VAL 48 1.584 0.962 3.716 359 3HG1 VAL 48 3HG1 VAL 48 3.307 0.964 3.329 360 1HG2 VAL 48 1HG2 VAL 48 0.041 2.552 2.722 361 2HG2 VAL 48 2HG2 VAL 48 0.879 4.047 3.187 362 3HG2 VAL 48 3HG2 VAL 48 0.581 3.695 1.483 363 H ILE 49 H ILE 49 2.859 6.024 1.921 364 HA ILE 49 HA ILE 49 4.514 6.655 4.267 365 HB ILE 49 HB ILE 49 3.607 8.543 2.071 366 1HG1 ILE 49 2HG1 ILE 49 4.822 6.886 0.870 367 2HG1 ILE 49 3HG1 ILE 49 5.812 8.329 1.047 368 1HG2 ILE 49 1HG2 ILE 49 4.297 9.659 4.086 369 2HG2 ILE 49 2HG2 ILE 49 5.793 8.721 4.166 370 3HG2 ILE 49 3HG2 ILE 49 5.536 9.879 2.844 371 1HD1 ILE 49 1HD1 ILE 49 7.244 6.437 1.417 372 2HD1 ILE 49 2HD1 ILE 49 6.993 7.212 2.981 373 3HD1 ILE 49 3HD1 ILE 49 6.119 5.717 2.580 374 H TYR 50 H TYR 50 3.052 6.600 6.000 375 HA TYR 50 HA TYR 50 0.470 8.092 5.691 376 1HB TYR 50 2HB TYR 50 -0.754 6.344 6.682 377 2HB TYR 50 3HB TYR 50 0.027 5.779 5.239 378 HD1 TYR 50 HD1 TYR 50 1.239 3.729 5.303 379 HD2 TYR 50 HD2 TYR 50 0.201 5.681 8.975 380 HE1 TYR 50 HE1 TYR 50 1.631 1.615 6.545 381 HE2 TYR 50 HE2 TYR 50 0.824 3.654 10.239 382 HH TYR 50 HH TYR 50 1.642 1.493 10.087 383 H ASP 51 H ASP 51 -0.635 8.453 7.655 384 HA ASP 51 HA ASP 51 1.215 9.400 9.757 385 1HB ASP 51 2HB ASP 51 -0.501 10.926 9.165 386 2HB ASP 51 3HB ASP 51 -1.756 9.703 9.383 387 HA PRO 52 HA PRO 52 0.372 5.374 11.658 388 1HB PRO 52 2HB PRO 52 2.365 5.237 13.470 389 2HB PRO 52 3HB PRO 52 2.679 5.149 11.713 390 1HG PRO 52 2HG PRO 52 2.831 7.619 13.481 391 2HG PRO 52 3HG PRO 52 4.096 6.996 12.379 392 1HD PRO 52 2HD PRO 52 2.342 8.943 11.625 393 2HD PRO 52 3HD PRO 52 2.892 7.683 10.477 394 H ALA 53 H ALA 53 -0.423 8.443 12.859 395 HA ALA 53 HA ALA 53 -1.346 7.445 15.487 396 1HB ALA 53 1HB ALA 53 -2.239 9.690 15.697 397 2HB ALA 53 2HB ALA 53 -0.542 9.806 15.175 398 3HB ALA 53 3HB ALA 53 -1.859 10.049 14.002 399 H GLU 54 H GLU 54 -2.267 7.786 12.100 400 HA GLU 54 HA GLU 54 -5.125 7.657 12.778 401 1HB GLU 54 2HB GLU 54 -3.921 9.514 11.363 402 2HB GLU 54 3HB GLU 54 -4.042 8.363 10.036 403 1HG GLU 54 2HG GLU 54 -6.414 9.292 11.738 404 2HG GLU 54 3HG GLU 54 -5.871 10.127 10.284 405 H THR 55 H THR 55 -2.795 6.475 10.375 406 HA THR 55 HA THR 55 -4.063 3.818 10.324 407 HB THR 55 HB THR 55 -2.231 3.577 8.305 408 HG1 THR 55 1HG THR 55 -3.158 6.220 8.248 409 1HG2 THR 55 1HG2 THR 55 -4.166 4.175 6.839 410 2HG2 THR 55 2HG2 THR 55 -4.543 3.071 8.185 411 3HG2 THR 55 3HG2 THR 55 -5.044 4.790 8.270 412 H GLY 56 H GLY 56 -2.062 2.254 9.747 413 1HA GLY 56 2HA GLY 56 -0.337 1.358 11.595 414 2HA GLY 56 3HA GLY 56 -1.756 1.771 12.589 415 H THR 57 H THR 57 -0.637 0.000 10.080 416 HA THR 57 HA THR 57 -1.398 -0.785 8.201 417 HB THR 57 HB THR 57 -1.008 -3.251 8.401 418 HG1 THR 57 1HG THR 57 -2.003 -3.598 10.427 419 1HG2 THR 57 1HG2 THR 57 0.906 -1.607 8.370 420 2HG2 THR 57 2HG2 THR 57 0.895 -1.612 10.146 421 3HG2 THR 57 3HG2 THR 57 1.253 -3.102 9.264 422 H ALA 58 H ALA 58 -3.635 -1.511 10.719 423 HA ALA 58 HA ALA 58 -5.722 -2.956 9.816 424 1HB ALA 58 1HB ALA 58 -5.692 -0.107 10.878 425 2HB ALA 58 2HB ALA 58 -7.063 -1.240 11.014 426 3HB ALA 58 3HB ALA 58 -5.522 -1.553 11.867 427 H ALA 59 H ALA 59 -5.078 0.418 8.756 428 HA ALA 59 HA ALA 59 -7.581 0.184 7.189 429 1HB ALA 59 1HB ALA 59 -6.095 2.651 6.729 430 2HB ALA 59 2HB ALA 59 -7.783 2.357 7.147 431 3HB ALA 59 3HB ALA 59 -6.597 2.347 8.432 432 H ILE 60 H ILE 60 -4.140 0.071 6.689 433 HA ILE 60 HA ILE 60 -4.124 0.232 3.834 434 HB ILE 60 HB ILE 60 -2.192 -0.619 5.994 435 1HG1 ILE 60 2HG1 ILE 60 -0.758 0.936 4.617 436 2HG1 ILE 60 3HG1 ILE 60 -2.148 1.153 3.539 437 1HG2 ILE 60 1HG2 ILE 60 -1.847 -2.462 4.449 438 2HG2 ILE 60 2HG2 ILE 60 -1.772 -1.333 3.073 439 3HG2 ILE 60 3HG2 ILE 60 -0.525 -1.307 4.338 440 1HD1 ILE 60 1HD1 ILE 60 -3.364 2.304 5.327 441 2HD1 ILE 60 2HD1 ILE 60 -2.202 1.733 6.554 442 3HD1 ILE 60 3HD1 ILE 60 -1.709 2.945 5.367 443 H GLN 61 H GLN 61 -4.275 -2.587 6.091 444 HA GLN 61 HA GLN 61 -4.328 -4.507 3.977 445 1HB GLN 61 2HB GLN 61 -4.763 -4.514 6.873 446 2HB GLN 61 3HB GLN 61 -5.919 -5.536 6.002 447 1HG GLN 61 2HG GLN 61 -4.352 -7.084 6.370 448 2HG GLN 61 3HG GLN 61 -3.824 -6.534 4.783 449 1HE2 GLN 61 1HE2 GLN 61 -2.456 -4.163 5.410 450 2HE2 GLN 61 2HE2 GLN 61 -1.074 -4.576 6.416 451 H GLU 62 H GLU 62 -7.004 -2.906 5.803 452 HA GLU 62 HA GLU 62 -9.236 -3.911 4.489 453 1HB GLU 62 2HB GLU 62 -8.500 -1.310 5.795 454 2HB GLU 62 3HB GLU 62 -9.936 -1.284 4.780 455 1HG GLU 62 2HG GLU 62 -9.516 -3.330 6.993 456 2HG GLU 62 3HG GLU 62 -10.338 -1.779 7.225 457 H LYS 63 H LYS 63 -7.399 -0.969 3.431 458 HA LYS 63 HA LYS 63 -8.929 -0.805 1.038 459 1HB LYS 63 2HB LYS 63 -6.613 0.598 2.276 460 2HB LYS 63 3HB LYS 63 -6.705 0.651 0.540 461 1HG LYS 63 2HG LYS 63 -9.079 1.286 2.337 462 2HG LYS 63 3HG LYS 63 -7.914 2.510 1.825 463 1HD LYS 63 2HD LYS 63 -9.493 0.917 -0.225 464 2HD LYS 63 3HD LYS 63 -10.057 2.430 0.510 465 1HE LYS 63 2HE LYS 63 -7.888 3.530 -0.191 466 2HE LYS 63 3HE LYS 63 -7.460 2.049 -1.051 467 1HZ LYS 63 1HZ LYS 63 -9.291 2.412 -2.499 468 2HZ LYS 63 2HZ LYS 63 -9.819 3.711 -1.614 469 3HZ LYS 63 3HZ LYS 63 -8.367 3.787 -2.385 470 H ILE 64 H ILE 64 -5.878 -2.518 1.784 471 HA ILE 64 HA ILE 64 -4.899 -2.939 -0.778 472 HB ILE 64 HB ILE 64 -4.697 -4.149 1.889 473 1HG1 ILE 64 2HG1 ILE 64 -3.245 -2.337 0.916 474 2HG1 ILE 64 3HG1 ILE 64 -2.441 -3.729 1.636 475 1HG2 ILE 64 1HG2 ILE 64 -4.060 -5.843 -0.482 476 2HG2 ILE 64 2HG2 ILE 64 -3.317 -6.031 1.128 477 3HG2 ILE 64 3HG2 ILE 64 -5.060 -6.208 0.945 478 1HD1 ILE 64 1HD1 ILE 64 -2.139 -4.716 -0.628 479 2HD1 ILE 64 2HD1 ILE 64 -2.838 -3.259 -1.342 480 3HD1 ILE 64 3HD1 ILE 64 -1.327 -3.154 -0.407 481 H GLU 65 H GLU 65 -7.151 -4.867 1.294 482 HA GLU 65 HA GLU 65 -7.972 -6.809 -0.600 483 1HB GLU 65 2HB GLU 65 -9.339 -5.594 1.843 484 2HB GLU 65 3HB GLU 65 -10.033 -6.928 0.924 485 1HG GLU 65 2HG GLU 65 -7.227 -7.099 2.043 486 2HG GLU 65 3HG GLU 65 -8.648 -7.495 3.013 487 H LYS 66 H LYS 66 -9.606 -3.727 0.348 488 HA LYS 66 HA LYS 66 -11.675 -4.039 -1.524 489 1HB LYS 66 2HB LYS 66 -10.736 -1.918 0.269 490 2HB LYS 66 3HB LYS 66 -11.393 -1.229 -1.215 491 1HG LYS 66 2HG LYS 66 -12.820 -3.363 0.413 492 2HG LYS 66 3HG LYS 66 -13.042 -1.635 0.703 493 1HD LYS 66 2HD LYS 66 -13.944 -1.232 -1.470 494 2HD LYS 66 3HD LYS 66 -13.439 -2.810 -2.087 495 1HE LYS 66 2HE LYS 66 -14.997 -3.948 -0.519 496 2HE LYS 66 3HE LYS 66 -15.549 -2.374 0.080 497 1HZ LYS 66 1HZ LYS 66 -16.350 -1.890 -2.132 498 2HZ LYS 66 2HZ LYS 66 -15.798 -3.335 -2.700 499 3HZ LYS 66 3HZ LYS 66 -17.009 -3.295 -1.590 500 H LEU 67 H LEU 67 -8.485 -2.681 -2.070 501 HA LEU 67 HA LEU 67 -9.020 -1.667 -4.734 502 1HB LEU 67 2HB LEU 67 -6.493 -2.316 -3.203 503 2HB LEU 67 3HB LEU 67 -6.483 -1.664 -4.842 504 HG LEU 67 HG LEU 67 -8.006 -0.221 -2.636 505 1HD1 LEU 67 1HD1 LEU 67 -5.748 -0.462 -1.765 506 2HD1 LEU 67 2HD1 LEU 67 -5.066 -0.038 -3.330 507 3HD1 LEU 67 3HD1 LEU 67 -5.916 1.188 -2.394 508 1HD2 LEU 67 1HD2 LEU 67 -8.430 0.481 -4.989 509 2HD2 LEU 67 2HD2 LEU 67 -7.602 1.734 -4.056 510 3HD2 LEU 67 3HD2 LEU 67 -6.691 0.749 -5.211 511 H GLY 68 H GLY 68 -8.562 -4.830 -3.390 512 1HA GLY 68 2HA GLY 68 -9.065 -6.774 -4.518 513 2HA GLY 68 3HA GLY 68 -8.729 -6.016 -6.078 514 H TYR 69 H TYR 69 -6.626 -6.073 -3.114 515 HA TYR 69 HA TYR 69 -4.639 -7.741 -4.601 516 1HB TYR 69 2HB TYR 69 -4.568 -4.914 -3.998 517 2HB TYR 69 3HB TYR 69 -3.360 -5.707 -3.015 518 HD1 TYR 69 HD1 TYR 69 -4.686 -5.550 -6.518 519 HD2 TYR 69 HD2 TYR 69 -1.304 -6.428 -3.992 520 HE1 TYR 69 HE1 TYR 69 -3.205 -5.398 -8.458 521 HE2 TYR 69 HE2 TYR 69 0.182 -6.174 -5.920 522 HH TYR 69 HH TYR 69 0.361 -5.709 -8.204 523 H HIS 70 H HIS 70 -2.747 -8.236 -3.054 524 HA HIS 70 HA HIS 70 -3.577 -8.401 -0.235 525 1HB HIS 70 2HB HIS 70 -3.015 -10.695 -2.025 526 2HB HIS 70 3HB HIS 70 -1.967 -10.661 -0.615 527 HD1 HIS 70 1HD HIS 70 -4.404 -9.527 1.407 528 HD2 HIS 70 2HD HIS 70 -4.178 -12.926 -1.069 529 HE1 HIS 70 1HE HIS 70 -5.794 -11.332 2.518 530 H VAL 71 H VAL 71 -1.906 -8.276 1.226 531 HA VAL 71 HA VAL 71 0.754 -7.513 0.213 532 HB VAL 71 HB VAL 71 -0.776 -5.531 0.847 533 1HG1 VAL 71 1HG1 VAL 71 -1.741 -6.531 2.930 534 2HG1 VAL 71 2HG1 VAL 71 -0.139 -6.408 3.691 535 3HG1 VAL 71 3HG1 VAL 71 -0.992 -4.945 3.183 536 1HG2 VAL 71 1HG2 VAL 71 1.607 -5.288 0.548 537 2HG2 VAL 71 2HG2 VAL 71 1.022 -4.278 1.871 538 3HG2 VAL 71 3HG2 VAL 71 1.890 -5.789 2.234 539 H VAL 72 H VAL 72 2.402 -8.025 1.807 540 HA VAL 72 HA VAL 72 1.612 -9.973 3.911 541 HB VAL 72 HB VAL 72 3.961 -10.294 2.112 542 1HG1 VAL 72 1HG1 VAL 72 3.958 -12.608 3.007 543 2HG1 VAL 72 2HG1 VAL 72 4.109 -11.426 4.309 544 3HG1 VAL 72 3HG1 VAL 72 2.546 -12.216 4.008 545 1HG2 VAL 72 1HG2 VAL 72 2.675 -12.170 1.016 546 2HG2 VAL 72 2HG2 VAL 72 1.215 -11.590 1.845 547 3HG2 VAL 72 3HG2 VAL 72 2.035 -10.570 0.639 548 H ILE 73 H ILE 73 2.896 -9.788 5.762 549 HA ILE 73 HA ILE 73 4.664 -7.382 5.859 550 HB ILE 73 HB ILE 73 2.865 -8.443 8.053 551 1HG1 ILE 73 2HG1 ILE 73 2.043 -5.949 7.765 552 2HG1 ILE 73 3HG1 ILE 73 2.755 -6.090 6.163 553 1HG2 ILE 73 1HG2 ILE 73 4.997 -7.422 8.872 554 2HG2 ILE 73 2HG2 ILE 73 4.659 -5.982 7.893 555 3HG2 ILE 73 3HG2 ILE 73 3.580 -6.428 9.233 556 1HD1 ILE 73 1HD1 ILE 73 1.190 -7.931 5.673 557 2HD1 ILE 73 2HD1 ILE 73 0.617 -7.849 7.367 558 3HD1 ILE 73 3HD1 ILE 73 0.346 -6.484 6.247 559 H GLU 74 H GLU 74 6.394 -8.859 5.127 560 HA GLU 74 HA GLU 74 7.380 -10.801 6.875 561 1HB GLU 74 2HB GLU 74 8.386 -9.394 4.401 562 2HB GLU 74 3HB GLU 74 9.393 -10.534 5.287 563 1HG GLU 74 2HG GLU 74 6.624 -11.313 4.286 564 2HG GLU 74 3HG GLU 74 8.099 -11.525 3.330 565 H GLY 75 H GLY 75 7.255 -7.658 7.315 566 1HA GLY 75 2HA GLY 75 9.622 -7.519 9.148 567 2HA GLY 75 3HA GLY 75 9.211 -6.160 8.080 568 H ARG 76 H ARG 76 7.514 -8.460 10.219 569 HA ARG 76 HA ARG 76 5.478 -6.500 10.886 570 1HB ARG 76 2HB ARG 76 5.395 -9.217 10.640 571 2HB ARG 76 3HB ARG 76 5.713 -9.090 12.377 572 1HG ARG 76 2HG ARG 76 3.755 -7.234 12.162 573 2HG ARG 76 3HG ARG 76 3.343 -8.202 10.745 574 1HD ARG 76 2HD ARG 76 3.309 -10.245 12.195 575 2HD ARG 76 3HD ARG 76 3.575 -9.230 13.617 576 HE ARG 76 HE ARG 76 1.116 -9.685 12.184 577 1HH1 ARG 76 2HH2 ARG 76 2.843 -7.169 13.965 578 2HH1 ARG 76 1HH2 ARG 76 1.434 -6.231 14.344 579 1HH2 ARG 76 2HH1 ARG 76 -0.775 -8.435 12.600 580 2HH2 ARG 76 1HH1 ARG 76 -0.684 -6.978 13.532 Start of MODEL 3 1 1H MET 1 H1 MET 1 1.089 18.258 18.805 2 2H MET 1 H2 MET 1 2.691 18.715 18.945 3 3H MET 1 H3 MET 1 1.551 19.723 18.265 4 HA MET 1 HA MET 1 2.648 18.833 16.446 5 1HB MET 1 2HB MET 1 2.969 16.579 18.237 6 2HB MET 1 3HB MET 1 2.147 15.993 16.794 7 1HG MET 1 2HG MET 1 3.925 16.829 15.367 8 2HG MET 1 3HG MET 1 4.715 17.629 16.743 9 1HE MET 1 1HE MET 1 6.194 15.653 14.669 10 2HE MET 1 2HE MET 1 6.992 16.532 16.001 11 3HE MET 1 3HE MET 1 7.221 14.776 15.824 12 H LEU 2 H LEU 2 1.458 17.701 14.584 13 HA LEU 2 HA LEU 2 -1.508 17.698 15.038 14 1HB LEU 2 2HB LEU 2 0.196 18.398 12.619 15 2HB LEU 2 3HB LEU 2 -1.540 18.091 12.513 16 HG LEU 2 HG LEU 2 -0.438 20.177 14.435 17 1HD1 LEU 2 1HD1 LEU 2 -0.810 21.873 12.676 18 2HD1 LEU 2 2HD1 LEU 2 0.474 20.737 12.230 19 3HD1 LEU 2 3HD1 LEU 2 -1.138 20.582 11.499 20 1HD2 LEU 2 1HD2 LEU 2 -3.107 19.898 12.972 21 2HD2 LEU 2 2HD2 LEU 2 -2.835 19.505 14.681 22 3HD2 LEU 2 3HD2 LEU 2 -2.676 21.175 14.123 23 H SER 3 H SER 3 0.702 16.377 12.552 24 HA SER 3 HA SER 3 -0.022 13.585 13.239 25 1HB SER 3 2HB SER 3 -0.282 15.030 10.555 26 2HB SER 3 3HB SER 3 -0.093 13.278 10.674 27 HG SER 3 HG SER 3 -1.963 13.071 11.655 28 H GLU 4 H GLU 4 1.790 12.236 12.952 29 HA GLU 4 HA GLU 4 4.306 13.410 11.931 30 1HB GLU 4 2HB GLU 4 3.574 11.116 13.675 31 2HB GLU 4 3HB GLU 4 5.004 10.987 12.688 32 1HG GLU 4 2HG GLU 4 5.733 13.165 13.647 33 2HG GLU 4 3HG GLU 4 4.389 13.011 14.780 34 H GLN 5 H GLN 5 5.454 11.523 10.582 35 HA GLN 5 HA GLN 5 3.564 10.017 8.883 36 1HB GLN 5 2HB GLN 5 5.997 11.659 8.115 37 2HB GLN 5 3HB GLN 5 5.272 10.525 6.999 38 1HG GLN 5 2HG GLN 5 3.776 12.898 8.269 39 2HG GLN 5 3HG GLN 5 4.657 12.974 6.769 40 1HE2 GLN 5 1HE2 GLN 5 3.431 9.865 6.629 41 2HE2 GLN 5 2HE2 GLN 5 1.939 10.232 5.808 42 H LYS 6 H LYS 6 4.443 7.962 8.375 43 HA LYS 6 HA LYS 6 7.304 7.550 8.751 44 1HB LYS 6 2HB LYS 6 5.304 5.643 10.020 45 2HB LYS 6 3HB LYS 6 7.047 5.385 9.851 46 1HG LYS 6 2HG LYS 6 7.370 7.586 11.162 47 2HG LYS 6 3HG LYS 6 5.643 7.524 11.502 48 1HD LYS 6 2HD LYS 6 6.555 6.544 13.389 49 2HD LYS 6 3HD LYS 6 6.133 5.117 12.415 50 1HE LYS 6 2HE LYS 6 8.536 5.073 11.573 51 2HE LYS 6 3HE LYS 6 8.884 6.481 12.587 52 1HZ LYS 6 1HZ LYS 6 8.066 3.828 13.558 53 2HZ LYS 6 2HZ LYS 6 9.572 4.487 13.646 54 3HZ LYS 6 3HZ LYS 6 8.338 5.149 14.510 55 H GLU 7 H GLU 7 8.096 5.806 7.576 56 HA GLU 7 HA GLU 7 6.599 5.269 5.090 57 1HB GLU 7 2HB GLU 7 9.609 5.169 5.453 58 2HB GLU 7 3HB GLU 7 8.615 5.410 4.018 59 1HG GLU 7 2HG GLU 7 9.721 7.467 4.534 60 2HG GLU 7 3HG GLU 7 8.038 7.721 5.016 61 H ILE 8 H ILE 8 5.661 3.256 5.697 62 HA ILE 8 HA ILE 8 7.344 1.277 7.055 63 HB ILE 8 HB ILE 8 4.522 1.168 6.120 64 1HG1 ILE 8 2HG1 ILE 8 3.921 1.306 8.567 65 2HG1 ILE 8 3HG1 ILE 8 5.620 1.549 8.983 66 1HG2 ILE 8 1HG2 ILE 8 4.381 -0.641 7.772 67 2HG2 ILE 8 2HG2 ILE 8 5.463 -1.000 6.413 68 3HG2 ILE 8 3HG2 ILE 8 6.154 -0.470 7.987 69 1HD1 ILE 8 1HD1 ILE 8 5.600 3.717 8.183 70 2HD1 ILE 8 2HD1 ILE 8 4.136 3.441 7.186 71 3HD1 ILE 8 3HD1 ILE 8 4.020 3.538 8.965 72 H ALA 9 H ALA 9 7.432 -0.880 5.988 73 HA ALA 9 HA ALA 9 7.557 -0.827 3.019 74 1HB ALA 9 1HB ALA 9 9.879 -0.534 3.911 75 2HB ALA 9 2HB ALA 9 9.683 -2.025 4.847 76 3HB ALA 9 3HB ALA 9 9.647 -2.082 3.072 77 H MET 10 H MET 10 6.338 -2.545 2.273 78 HA MET 10 HA MET 10 6.199 -5.018 3.921 79 1HB MET 10 2HB MET 10 3.762 -3.778 2.581 80 2HB MET 10 3HB MET 10 3.857 -5.283 3.501 81 1HG MET 10 2HG MET 10 3.064 -4.027 5.170 82 2HG MET 10 3HG MET 10 4.755 -3.654 5.423 83 1HE MET 10 1HE MET 10 1.242 -2.581 4.404 84 2HE MET 10 2HE MET 10 1.422 -0.933 3.775 85 3HE MET 10 3HE MET 10 1.986 -2.296 2.806 86 H GLN 11 H GLN 11 5.178 -6.794 2.484 87 HA GLN 11 HA GLN 11 6.568 -6.709 -0.148 88 1HB GLN 11 2HB GLN 11 5.867 -8.875 1.880 89 2HB GLN 11 3HB GLN 11 5.995 -9.314 0.182 90 1HG GLN 11 2HG GLN 11 8.177 -7.972 1.850 91 2HG GLN 11 3HG GLN 11 8.140 -9.676 1.342 92 1HE2 GLN 11 1HE2 GLN 11 7.538 -9.819 -1.192 93 2HE2 GLN 11 2HE2 GLN 11 8.252 -8.584 -2.209 94 H VAL 12 H VAL 12 5.477 -7.334 -2.035 95 HA VAL 12 HA VAL 12 2.507 -7.029 -1.838 96 HB VAL 12 HB VAL 12 4.387 -6.716 -4.214 97 1HG1 VAL 12 1HG1 VAL 12 1.383 -6.257 -3.916 98 2HG1 VAL 12 2HG1 VAL 12 2.354 -5.704 -5.293 99 3HG1 VAL 12 3HG1 VAL 12 2.179 -7.431 -4.993 100 1HG2 VAL 12 1HG2 VAL 12 3.665 -4.282 -3.942 101 2HG2 VAL 12 2HG2 VAL 12 2.937 -4.739 -2.399 102 3HG2 VAL 12 3HG2 VAL 12 4.695 -4.890 -2.642 103 H SER 13 H SER 13 1.139 -8.540 -2.932 104 HA SER 13 HA SER 13 2.371 -10.866 -4.191 105 1HB SER 13 2HB SER 13 2.014 -11.492 -1.749 106 2HB SER 13 3HB SER 13 0.276 -11.214 -2.006 107 HG SER 13 HG SER 13 1.987 -13.168 -3.134 108 H GLY 14 H GLY 14 0.340 -12.232 -4.932 109 1HA GLY 14 2HA GLY 14 -1.222 -12.308 -6.651 110 2HA GLY 14 3HA GLY 14 -2.098 -11.141 -5.644 111 H MET 15 H MET 15 0.819 -11.101 -7.799 112 HA MET 15 HA MET 15 -0.359 -8.881 -9.352 113 1HB MET 15 2HB MET 15 1.603 -7.525 -9.156 114 2HB MET 15 3HB MET 15 1.046 -7.926 -7.522 115 1HG MET 15 2HG MET 15 3.290 -8.271 -7.247 116 2HG MET 15 3HG MET 15 2.823 -9.892 -7.738 117 1HE MET 15 1HE MET 15 6.280 -9.803 -9.386 118 2HE MET 15 2HE MET 15 5.741 -9.389 -7.742 119 3HE MET 15 3HE MET 15 5.056 -10.805 -8.575 120 H THR 16 H THR 16 -0.072 -9.240 -11.477 121 HA THR 16 HA THR 16 2.539 -10.329 -12.381 122 HB THR 16 HB THR 16 0.969 -11.487 -14.247 123 HG1 THR 16 1HG THR 16 -0.777 -12.473 -13.078 124 1HG2 THR 16 1HG2 THR 16 1.289 -13.612 -13.129 125 2HG2 THR 16 2HG2 THR 16 2.728 -12.612 -12.889 126 3HG2 THR 16 3HG2 THR 16 1.558 -12.819 -11.569 127 H CYS 17 H CYS 17 0.683 -7.703 -12.422 128 HA CYS 17 HA CYS 17 0.873 -7.098 -15.303 129 1HB CYS 17 2HB CYS 17 -0.498 -5.538 -13.092 130 2HB CYS 17 3HB CYS 17 -0.817 -5.487 -14.830 131 H ALA 18 H ALA 18 2.374 -6.339 -12.274 132 HA ALA 18 HA ALA 18 3.723 -4.764 -11.461 133 1HB ALA 18 1HB ALA 18 4.245 -3.821 -14.315 134 2HB ALA 18 2HB ALA 18 5.181 -3.445 -12.861 135 3HB ALA 18 3HB ALA 18 5.116 -5.111 -13.465 136 H ALA 19 H ALA 19 2.095 -3.118 -14.182 137 HA ALA 19 HA ALA 19 1.838 -0.576 -13.168 138 1HB ALA 19 1HB ALA 19 -0.078 -0.325 -14.716 139 2HB ALA 19 2HB ALA 19 1.255 -1.228 -15.463 140 3HB ALA 19 3HB ALA 19 -0.183 -2.091 -14.879 141 H CYS 20 H CYS 20 -0.604 -3.176 -12.732 142 HA CYS 20 HA CYS 20 -2.484 -1.764 -11.295 143 1HB CYS 20 2HB CYS 20 -1.591 -4.691 -11.104 144 2HB CYS 20 3HB CYS 20 -3.091 -4.122 -10.395 145 H ALA 21 H ALA 21 0.567 -3.044 -10.032 146 HA ALA 21 HA ALA 21 -0.178 -2.840 -7.274 147 1HB ALA 21 1HB ALA 21 2.099 -3.273 -6.824 148 2HB ALA 21 2HB ALA 21 1.713 -4.188 -8.277 149 3HB ALA 21 3HB ALA 21 2.621 -2.667 -8.421 150 H ALA 22 H ALA 22 0.668 -0.441 -9.694 151 HA ALA 22 HA ALA 22 1.363 1.688 -7.815 152 1HB ALA 22 1HB ALA 22 1.170 3.124 -9.757 153 2HB ALA 22 2HB ALA 22 2.055 1.658 -10.240 154 3HB ALA 22 3HB ALA 22 0.344 1.859 -10.684 155 H ARG 23 H ARG 23 -1.473 0.674 -9.736 156 HA ARG 23 HA ARG 23 -3.236 2.773 -9.053 157 1HB ARG 23 2HB ARG 23 -3.704 -0.131 -9.793 158 2HB ARG 23 3HB ARG 23 -5.037 0.984 -9.503 159 1HG ARG 23 2HG ARG 23 -4.694 2.209 -11.379 160 2HG ARG 23 3HG ARG 23 -2.943 2.001 -11.380 161 1HD ARG 23 2HD ARG 23 -2.964 0.104 -12.598 162 2HD ARG 23 3HD ARG 23 -4.435 -0.540 -11.900 163 HE ARG 23 HE ARG 23 -4.138 1.128 -14.274 164 1HH1 ARG 23 2HH2 ARG 23 -6.377 0.097 -11.765 165 2HH1 ARG 23 1HH2 ARG 23 -7.811 0.225 -12.734 166 1HH2 ARG 23 2HH1 ARG 23 -6.025 1.376 -15.603 167 2HH2 ARG 23 1HH1 ARG 23 -7.597 1.019 -14.969 168 H ILE 24 H ILE 24 -2.744 -0.415 -7.410 169 HA ILE 24 HA ILE 24 -4.684 0.128 -5.452 170 HB ILE 24 HB ILE 24 -3.830 -1.602 -4.081 171 1HG1 ILE 24 2HG1 ILE 24 -1.407 -1.355 -5.793 172 2HG1 ILE 24 3HG1 ILE 24 -1.521 -1.175 -4.026 173 1HG2 ILE 24 1HG2 ILE 24 -5.012 -1.999 -6.362 174 2HG2 ILE 24 2HG2 ILE 24 -3.422 -2.524 -6.941 175 3HG2 ILE 24 3HG2 ILE 24 -4.200 -3.351 -5.573 176 1HD1 ILE 24 1HD1 ILE 24 -0.467 -3.289 -4.484 177 2HD1 ILE 24 2HD1 ILE 24 -2.106 -3.605 -3.867 178 3HD1 ILE 24 3HD1 ILE 24 -1.755 -3.731 -5.613 179 H GLU 25 H GLU 25 -1.144 0.725 -5.152 180 HA GLU 25 HA GLU 25 -1.181 1.959 -2.648 181 1HB GLU 25 2HB GLU 25 0.590 2.133 -5.090 182 2HB GLU 25 3HB GLU 25 0.886 3.230 -3.736 183 1HG GLU 25 2HG GLU 25 0.561 0.254 -3.214 184 2HG GLU 25 3HG GLU 25 2.103 0.937 -3.737 185 H LYS 26 H LYS 26 -1.831 3.450 -5.838 186 HA LYS 26 HA LYS 26 -1.955 6.133 -4.677 187 1HB LYS 26 2HB LYS 26 -2.966 5.127 -7.353 188 2HB LYS 26 3HB LYS 26 -2.798 6.826 -6.888 189 1HG LYS 26 2HG LYS 26 -0.486 4.838 -7.033 190 2HG LYS 26 3HG LYS 26 -0.962 5.933 -8.333 191 1HD LYS 26 2HD LYS 26 -0.363 7.878 -6.947 192 2HD LYS 26 3HD LYS 26 -0.106 6.846 -5.536 193 1HE LYS 26 2HE LYS 26 2.040 7.458 -6.465 194 2HE LYS 26 3HE LYS 26 1.779 5.716 -6.543 195 1HZ LYS 26 1HZ LYS 26 1.446 7.585 -8.802 196 2HZ LYS 26 2HZ LYS 26 2.725 6.581 -8.563 197 3HZ LYS 26 3HZ LYS 26 1.239 5.950 -8.867 198 H GLY 27 H GLY 27 -4.470 3.758 -5.672 199 1HA GLY 27 2HA GLY 27 -6.701 5.368 -4.833 200 2HA GLY 27 3HA GLY 27 -6.686 3.610 -5.012 201 H LEU 28 H LEU 28 -4.411 3.293 -3.142 202 HA LEU 28 HA LEU 28 -5.735 3.124 -0.579 203 1HB LEU 28 2HB LEU 28 -4.259 1.524 -1.391 204 2HB LEU 28 3HB LEU 28 -2.915 2.655 -1.478 205 HG LEU 28 HG LEU 28 -4.267 2.161 1.172 206 1HD1 LEU 28 1HD1 LEU 28 -2.651 0.231 1.432 207 2HD1 LEU 28 2HD1 LEU 28 -3.991 -0.018 0.300 208 3HD1 LEU 28 3HD1 LEU 28 -2.354 0.337 -0.310 209 1HD2 LEU 28 1HD2 LEU 28 -2.127 2.894 1.998 210 2HD2 LEU 28 2HD2 LEU 28 -1.326 2.536 0.450 211 3HD2 LEU 28 3HD2 LEU 28 -2.416 3.917 0.600 212 H LYS 29 H LYS 29 -3.128 5.291 -1.886 213 HA LYS 29 HA LYS 29 -2.849 6.959 0.309 214 1HB LYS 29 2HB LYS 29 -1.504 7.068 -1.826 215 2HB LYS 29 3HB LYS 29 -2.856 7.938 -2.556 216 1HG LYS 29 2HG LYS 29 -2.394 9.351 -0.158 217 2HG LYS 29 3HG LYS 29 -0.797 8.853 -0.609 218 1HD LYS 29 2HD LYS 29 -2.657 10.169 -2.636 219 2HD LYS 29 3HD LYS 29 -1.881 11.151 -1.406 220 1HE LYS 29 2HE LYS 29 0.009 9.350 -2.835 221 2HE LYS 29 3HE LYS 29 -0.774 10.531 -3.885 222 1HZ LYS 29 1HZ LYS 29 1.364 11.194 -2.764 223 2HZ LYS 29 2HZ LYS 29 0.141 12.298 -2.638 224 3HZ LYS 29 3HZ LYS 29 0.552 11.342 -1.378 225 H ARG 30 H ARG 30 -5.480 6.973 -2.040 226 HA ARG 30 HA ARG 30 -6.617 9.435 -1.206 227 1HB ARG 30 2HB ARG 30 -7.392 7.151 -2.903 228 2HB ARG 30 3HB ARG 30 -8.779 7.912 -2.157 229 1HG ARG 30 2HG ARG 30 -6.610 9.439 -3.671 230 2HG ARG 30 3HG ARG 30 -8.084 8.801 -4.413 231 1HD ARG 30 2HD ARG 30 -9.467 10.109 -2.798 232 2HD ARG 30 3HD ARG 30 -8.038 10.894 -2.168 233 HE ARG 30 HE ARG 30 -9.426 11.331 -4.709 234 1HH1 ARG 30 2HH2 ARG 30 -6.375 11.837 -3.020 235 2HH1 ARG 30 1HH2 ARG 30 -5.885 13.207 -3.968 236 1HH2 ARG 30 2HH1 ARG 30 -8.793 13.107 -6.028 237 2HH2 ARG 30 1HH1 ARG 30 -7.291 13.921 -5.749 238 H MET 31 H MET 31 -6.379 6.729 0.828 239 HA MET 31 HA MET 31 -8.887 7.164 2.275 240 1HB MET 31 2HB MET 31 -6.323 5.629 2.666 241 2HB MET 31 3HB MET 31 -7.251 5.964 4.101 242 1HG MET 31 2HG MET 31 -9.299 4.999 3.030 243 2HG MET 31 3HG MET 31 -8.272 4.516 1.676 244 1HE MET 31 1HE MET 31 -5.860 2.010 3.389 245 2HE MET 31 2HE MET 31 -6.148 3.116 2.036 246 3HE MET 31 3HE MET 31 -5.559 3.740 3.599 247 HA PRO 32 HA PRO 32 -7.295 10.274 5.227 248 1HB PRO 32 2HB PRO 32 -8.040 9.222 7.651 249 2HB PRO 32 3HB PRO 32 -9.199 9.990 6.533 250 1HG PRO 32 2HG PRO 32 -8.597 7.033 6.819 251 2HG PRO 32 3HG PRO 32 -10.201 7.823 6.834 252 1HD PRO 32 2HD PRO 32 -9.253 6.699 4.586 253 2HD PRO 32 3HD PRO 32 -10.092 8.254 4.486 254 H GLY 33 H GLY 33 -5.669 10.251 7.064 255 1HA GLY 33 2HA GLY 33 -3.783 9.714 8.061 256 2HA GLY 33 3HA GLY 33 -4.235 8.005 7.819 257 H VAL 34 H VAL 34 -4.105 8.076 4.958 258 HA VAL 34 HA VAL 34 -1.222 7.734 4.688 259 HB VAL 34 HB VAL 34 -3.452 7.355 2.699 260 1HG1 VAL 34 1HG1 VAL 34 -1.090 7.350 1.739 261 2HG1 VAL 34 2HG1 VAL 34 -0.583 6.219 3.001 262 3HG1 VAL 34 3HG1 VAL 34 -1.701 5.687 1.749 263 1HG2 VAL 34 1HG2 VAL 34 -3.248 4.895 3.364 264 2HG2 VAL 34 2HG2 VAL 34 -2.351 5.466 4.798 265 3HG2 VAL 34 3HG2 VAL 34 -4.039 5.943 4.538 266 H THR 35 H THR 35 0.171 9.037 3.602 267 HA THR 35 HA THR 35 -0.946 11.559 2.439 268 HB THR 35 HB THR 35 1.607 11.021 3.855 269 HG1 THR 35 1HG THR 35 0.505 12.335 5.426 270 1HG2 THR 35 1HG2 THR 35 1.827 13.504 3.858 271 2HG2 THR 35 2HG2 THR 35 1.947 12.817 2.229 272 3HG2 THR 35 3HG2 THR 35 0.438 13.608 2.754 273 H ASP 36 H ASP 36 1.647 9.041 2.041 274 HA ASP 36 HA ASP 36 1.358 9.374 -0.816 275 1HB ASP 36 2HB ASP 36 3.740 10.461 0.547 276 2HB ASP 36 3HB ASP 36 4.151 9.214 -0.641 277 H ALA 37 H ALA 37 2.626 7.734 -1.981 278 HA ALA 37 HA ALA 37 2.919 5.193 -0.619 279 1HB ALA 37 1HB ALA 37 0.383 5.581 -0.680 280 2HB ALA 37 2HB ALA 37 0.501 5.592 -2.451 281 3HB ALA 37 3HB ALA 37 0.901 4.135 -1.524 282 H ASN 38 H ASN 38 3.864 3.594 -1.955 283 HA ASN 38 HA ASN 38 4.689 4.403 -4.622 284 1HB ASN 38 2HB ASN 38 7.197 4.226 -3.233 285 2HB ASN 38 3HB ASN 38 6.565 5.484 -4.287 286 1HD2 ASN 38 1HD2 ASN 38 5.886 4.421 -0.879 287 2HD2 ASN 38 2HD2 ASN 38 6.233 6.011 -0.204 288 H VAL 39 H VAL 39 4.591 2.508 -5.588 289 HA VAL 39 HA VAL 39 5.076 0.078 -4.083 290 HB VAL 39 HB VAL 39 3.140 0.558 -5.604 291 1HG1 VAL 39 1HG1 VAL 39 4.393 1.420 -7.581 292 2HG1 VAL 39 2HG1 VAL 39 4.924 -0.248 -7.913 293 3HG1 VAL 39 3HG1 VAL 39 3.219 0.144 -7.928 294 1HG2 VAL 39 1HG2 VAL 39 2.727 -1.600 -5.520 295 2HG2 VAL 39 2HG2 VAL 39 4.089 -2.008 -6.589 296 3HG2 VAL 39 3HG2 VAL 39 4.330 -1.817 -4.839 297 H ASN 40 H ASN 40 7.203 -0.532 -3.802 298 HA ASN 40 HA ASN 40 9.195 0.166 -5.882 299 1HB ASN 40 2HB ASN 40 9.605 0.673 -3.480 300 2HB ASN 40 3HB ASN 40 9.586 -1.063 -3.133 301 1HD2 ASN 40 1HD2 ASN 40 11.851 -0.095 -2.355 302 2HD2 ASN 40 2HD2 ASN 40 13.141 -0.270 -3.534 303 H LEU 41 H LEU 41 7.570 -1.414 -7.034 304 HA LEU 41 HA LEU 41 7.899 -4.232 -6.549 305 1HB LEU 41 2HB LEU 41 6.326 -2.517 -8.295 306 2HB LEU 41 3HB LEU 41 7.016 -3.816 -9.250 307 HG LEU 41 HG LEU 41 4.733 -4.176 -8.246 308 1HD1 LEU 41 1HD1 LEU 41 5.164 -6.568 -7.699 309 2HD1 LEU 41 2HD1 LEU 41 5.925 -6.035 -9.211 310 3HD1 LEU 41 3HD1 LEU 41 6.906 -6.243 -7.750 311 1HD2 LEU 41 1HD2 LEU 41 4.362 -4.616 -6.039 312 2HD2 LEU 41 2HD2 LEU 41 6.019 -5.126 -5.692 313 3HD2 LEU 41 3HD2 LEU 41 5.653 -3.406 -5.850 314 H ALA 42 H ALA 42 9.813 -1.945 -8.239 315 HA ALA 42 HA ALA 42 11.431 -3.468 -9.912 316 1HB ALA 42 1HB ALA 42 13.248 -1.970 -9.241 317 2HB ALA 42 2HB ALA 42 11.742 -1.043 -9.449 318 3HB ALA 42 3HB ALA 42 12.332 -1.455 -7.815 319 H THR 43 H THR 43 11.308 -3.507 -6.313 320 HA THR 43 HA THR 43 12.974 -5.968 -6.443 321 HB THR 43 HB THR 43 14.379 -4.217 -5.570 322 HG1 THR 43 1HG THR 43 13.464 -6.130 -3.709 323 1HG2 THR 43 1HG2 THR 43 13.943 -3.137 -3.421 324 2HG2 THR 43 2HG2 THR 43 12.661 -2.732 -4.574 325 3HG2 THR 43 3HG2 THR 43 12.362 -3.929 -3.295 326 H GLU 44 H GLU 44 10.116 -5.627 -6.632 327 HA GLU 44 HA GLU 44 8.229 -6.516 -5.917 328 1HB GLU 44 2HB GLU 44 10.224 -8.401 -5.854 329 2HB GLU 44 3HB GLU 44 9.507 -8.636 -4.265 330 1HG GLU 44 2HG GLU 44 7.286 -8.937 -5.342 331 2HG GLU 44 3HG GLU 44 7.997 -8.572 -6.930 332 H THR 45 H THR 45 9.174 -4.341 -4.130 333 HA THR 45 HA THR 45 7.855 -5.122 -1.562 334 HB THR 45 HB THR 45 10.134 -3.207 -2.221 335 HG1 THR 45 1HG THR 45 10.014 -5.796 -1.082 336 1HG2 THR 45 1HG2 THR 45 8.950 -2.334 -0.280 337 2HG2 THR 45 2HG2 THR 45 8.978 -3.949 0.486 338 3HG2 THR 45 3HG2 THR 45 10.486 -3.059 0.206 339 H VAL 46 H VAL 46 6.745 -3.259 -0.473 340 HA VAL 46 HA VAL 46 5.990 -1.017 -2.269 341 HB VAL 46 HB VAL 46 4.122 -2.502 -2.378 342 1HG1 VAL 46 1HG1 VAL 46 4.403 -3.912 -0.389 343 2HG1 VAL 46 2HG1 VAL 46 4.103 -2.514 0.671 344 3HG1 VAL 46 3HG1 VAL 46 2.811 -3.151 -0.359 345 1HG2 VAL 46 1HG2 VAL 46 3.419 -0.299 -0.411 346 2HG2 VAL 46 2HG2 VAL 46 3.715 -0.069 -2.149 347 3HG2 VAL 46 3HG2 VAL 46 2.366 -1.082 -1.602 348 H ASN 47 H ASN 47 5.801 0.991 -1.229 349 HA ASN 47 HA ASN 47 6.442 1.028 1.663 350 1HB ASN 47 2HB ASN 47 7.701 2.594 -0.630 351 2HB ASN 47 3HB ASN 47 7.623 3.271 0.998 352 1HD2 ASN 47 1HD2 ASN 47 8.363 1.667 2.816 353 2HD2 ASN 47 2HD2 ASN 47 9.972 1.045 2.475 354 H VAL 48 H VAL 48 5.089 2.459 2.821 355 HA VAL 48 HA VAL 48 3.243 4.109 1.218 356 HB VAL 48 HB VAL 48 2.044 2.059 1.538 357 1HG1 VAL 48 1HG1 VAL 48 3.115 0.996 3.379 358 2HG1 VAL 48 2HG1 VAL 48 2.722 2.315 4.490 359 3HG1 VAL 48 3HG1 VAL 48 1.430 1.297 3.848 360 1HG2 VAL 48 1HG2 VAL 48 1.072 4.304 3.346 361 2HG2 VAL 48 2HG2 VAL 48 0.768 4.095 1.615 362 3HG2 VAL 48 3HG2 VAL 48 0.096 2.940 2.780 363 H ILE 49 H ILE 49 3.067 6.058 2.054 364 HA ILE 49 HA ILE 49 4.678 6.613 4.432 365 HB ILE 49 HB ILE 49 3.800 8.601 2.295 366 1HG1 ILE 49 2HG1 ILE 49 4.956 7.042 0.985 367 2HG1 ILE 49 3HG1 ILE 49 6.038 8.397 1.295 368 1HG2 ILE 49 1HG2 ILE 49 5.763 9.872 3.115 369 2HG2 ILE 49 2HG2 ILE 49 4.519 9.627 4.347 370 3HG2 ILE 49 3HG2 ILE 49 5.996 8.657 4.389 371 1HD1 ILE 49 1HD1 ILE 49 6.173 5.604 2.477 372 2HD1 ILE 49 2HD1 ILE 49 7.405 6.491 1.569 373 3HD1 ILE 49 3HD1 ILE 49 6.995 6.984 3.220 374 H TYR 50 H TYR 50 3.227 6.688 6.199 375 HA TYR 50 HA TYR 50 0.740 8.304 5.887 376 1HB TYR 50 2HB TYR 50 -0.655 6.617 6.797 377 2HB TYR 50 3HB TYR 50 0.108 6.008 5.360 378 HD1 TYR 50 HD1 TYR 50 1.620 4.063 5.479 379 HD2 TYR 50 HD2 TYR 50 -0.081 5.749 9.041 380 HE1 TYR 50 HE1 TYR 50 1.939 1.900 6.668 381 HE2 TYR 50 HE2 TYR 50 0.471 3.688 10.284 382 HH TYR 50 HH TYR 50 1.365 1.556 10.139 383 H ASP 51 H ASP 51 -0.377 8.635 7.854 384 HA ASP 51 HA ASP 51 1.486 9.352 10.030 385 1HB ASP 51 2HB ASP 51 -0.085 11.039 9.423 386 2HB ASP 51 3HB ASP 51 -1.441 9.927 9.580 387 HA PRO 52 HA PRO 52 0.214 5.359 11.774 388 1HB PRO 52 2HB PRO 52 2.029 5.077 13.754 389 2HB PRO 52 3HB PRO 52 2.472 4.952 12.027 390 1HG PRO 52 2HG PRO 52 2.670 7.417 13.791 391 2HG PRO 52 3HG PRO 52 3.967 6.675 12.814 392 1HD PRO 52 2HD PRO 52 2.475 8.748 11.889 393 2HD PRO 52 3HD PRO 52 2.966 7.423 10.786 394 H ALA 53 H ALA 53 -0.451 8.473 12.965 395 HA ALA 53 HA ALA 53 -1.642 7.501 15.491 396 1HB ALA 53 1HB ALA 53 -2.249 9.823 15.779 397 2HB ALA 53 2HB ALA 53 -0.523 9.742 15.357 398 3HB ALA 53 3HB ALA 53 -1.723 10.221 14.135 399 H GLU 54 H GLU 54 -2.318 8.027 12.059 400 HA GLU 54 HA GLU 54 -5.209 8.141 12.638 401 1HB GLU 54 2HB GLU 54 -3.691 9.871 11.067 402 2HB GLU 54 3HB GLU 54 -4.442 8.774 9.900 403 1HG GLU 54 2HG GLU 54 -6.674 9.256 10.919 404 2HG GLU 54 3HG GLU 54 -5.881 10.407 12.009 405 H THR 55 H THR 55 -2.787 6.715 10.451 406 HA THR 55 HA THR 55 -4.415 4.259 10.321 407 HB THR 55 HB THR 55 -2.748 3.657 8.299 408 HG1 THR 55 1HG THR 55 -3.058 6.430 8.209 409 1HG2 THR 55 1HG2 THR 55 -5.141 3.608 8.258 410 2HG2 THR 55 2HG2 THR 55 -5.240 5.403 8.176 411 3HG2 THR 55 3HG2 THR 55 -4.525 4.480 6.826 412 H GLY 56 H GLY 56 -2.721 2.435 9.830 413 1HA GLY 56 2HA GLY 56 -0.732 1.660 11.538 414 2HA GLY 56 3HA GLY 56 -2.128 1.983 12.596 415 H THR 57 H THR 57 -1.129 0.418 9.877 416 HA THR 57 HA THR 57 -1.809 -0.432 8.110 417 HB THR 57 HB THR 57 -1.545 -2.949 8.237 418 HG1 THR 57 1HG THR 57 -1.327 -2.327 10.997 419 1HG2 THR 57 1HG2 THR 57 0.549 -1.329 9.762 420 2HG2 THR 57 2HG2 THR 57 0.777 -2.912 9.004 421 3HG2 THR 57 3HG2 THR 57 0.442 -1.492 7.996 422 H ALA 58 H ALA 58 -4.090 -1.228 10.610 423 HA ALA 58 HA ALA 58 -6.170 -2.537 9.687 424 1HB ALA 58 1HB ALA 58 -6.056 0.320 10.705 425 2HB ALA 58 2HB ALA 58 -7.538 -0.683 10.725 426 3HB ALA 58 3HB ALA 58 -6.114 -1.141 11.695 427 H ALA 59 H ALA 59 -5.565 0.782 8.497 428 HA ALA 59 HA ALA 59 -8.058 0.493 6.903 429 1HB ALA 59 1HB ALA 59 -7.216 2.686 7.997 430 2HB ALA 59 2HB ALA 59 -6.214 2.821 6.512 431 3HB ALA 59 3HB ALA 59 -7.977 2.724 6.411 432 H ILE 60 H ILE 60 -4.601 0.472 6.456 433 HA ILE 60 HA ILE 60 -4.451 0.376 3.628 434 HB ILE 60 HB ILE 60 -2.639 -0.238 5.945 435 1HG1 ILE 60 2HG1 ILE 60 -1.155 1.176 4.445 436 2HG1 ILE 60 3HG1 ILE 60 -2.525 1.246 3.322 437 1HG2 ILE 60 1HG2 ILE 60 -2.200 -2.250 4.649 438 2HG2 ILE 60 2HG2 ILE 60 -2.047 -1.292 3.156 439 3HG2 ILE 60 3HG2 ILE 60 -0.882 -1.099 4.488 440 1HD1 ILE 60 1HD1 ILE 60 -2.634 2.185 6.236 441 2HD1 ILE 60 2HD1 ILE 60 -2.193 3.236 4.884 442 3HD1 ILE 60 3HD1 ILE 60 -3.820 2.538 4.954 443 H GLN 61 H GLN 61 -4.591 -2.354 5.988 444 HA GLN 61 HA GLN 61 -4.591 -4.322 3.932 445 1HB GLN 61 2HB GLN 61 -4.940 -4.327 6.810 446 2HB GLN 61 3HB GLN 61 -6.167 -5.322 6.022 447 1HG GLN 61 2HG GLN 61 -4.620 -6.915 6.272 448 2HG GLN 61 3HG GLN 61 -4.142 -6.357 4.676 449 1HE2 GLN 61 1HE2 GLN 61 -2.860 -3.854 5.710 450 2HE2 GLN 61 2HE2 GLN 61 -1.402 -4.401 6.534 451 H GLU 62 H GLU 62 -7.323 -2.720 5.672 452 HA GLU 62 HA GLU 62 -9.504 -3.896 4.450 453 1HB GLU 62 2HB GLU 62 -8.905 -1.182 5.587 454 2HB GLU 62 3HB GLU 62 -10.343 -1.310 4.589 455 1HG GLU 62 2HG GLU 62 -11.195 -3.133 6.019 456 2HG GLU 62 3HG GLU 62 -9.722 -3.049 7.008 457 H LYS 63 H LYS 63 -7.786 -0.983 3.132 458 HA LYS 63 HA LYS 63 -9.358 -1.072 0.747 459 1HB LYS 63 2HB LYS 63 -7.031 0.471 1.810 460 2HB LYS 63 3HB LYS 63 -7.189 0.407 0.087 461 1HG LYS 63 2HG LYS 63 -9.375 1.262 2.027 462 2HG LYS 63 3HG LYS 63 -8.304 2.360 1.145 463 1HD LYS 63 2HD LYS 63 -10.254 0.542 -0.301 464 2HD LYS 63 3HD LYS 63 -10.663 2.154 0.277 465 1HE LYS 63 2HE LYS 63 -8.176 1.796 -1.413 466 2HE LYS 63 3HE LYS 63 -9.749 1.760 -2.211 467 1HZ LYS 63 1HZ LYS 63 -8.936 3.955 -0.433 468 2HZ LYS 63 2HZ LYS 63 -8.611 3.971 -2.019 469 3HZ LYS 63 3HZ LYS 63 -10.184 3.935 -1.513 470 H ILE 64 H ILE 64 -6.131 -2.353 1.580 471 HA ILE 64 HA ILE 64 -5.117 -3.059 -0.872 472 HB ILE 64 HB ILE 64 -4.793 -3.805 1.886 473 1HG1 ILE 64 2HG1 ILE 64 -3.345 -2.330 0.499 474 2HG1 ILE 64 3HG1 ILE 64 -2.542 -3.553 1.479 475 1HG2 ILE 64 1HG2 ILE 64 -3.480 -5.853 1.544 476 2HG2 ILE 64 2HG2 ILE 64 -5.225 -6.049 1.469 477 3HG2 ILE 64 3HG2 ILE 64 -4.276 -6.039 -0.037 478 1HD1 ILE 64 1HD1 ILE 64 -1.538 -3.445 -0.740 479 2HD1 ILE 64 2HD1 ILE 64 -2.303 -5.023 -0.471 480 3HD1 ILE 64 3HD1 ILE 64 -3.104 -3.818 -1.498 481 H GLU 65 H GLU 65 -7.278 -4.949 1.311 482 HA GLU 65 HA GLU 65 -7.913 -7.120 -0.393 483 1HB GLU 65 2HB GLU 65 -9.274 -5.797 1.981 484 2HB GLU 65 3HB GLU 65 -10.030 -7.155 1.144 485 1HG GLU 65 2HG GLU 65 -7.170 -7.407 2.071 486 2HG GLU 65 3HG GLU 65 -8.504 -7.610 3.213 487 H LYS 66 H LYS 66 -9.878 -4.154 0.268 488 HA LYS 66 HA LYS 66 -11.912 -4.808 -1.585 489 1HB LYS 66 2HB LYS 66 -11.087 -2.378 -0.084 490 2HB LYS 66 3HB LYS 66 -11.881 -2.029 -1.617 491 1HG LYS 66 2HG LYS 66 -13.554 -2.100 0.056 492 2HG LYS 66 3HG LYS 66 -13.763 -3.497 -1.019 493 1HD LYS 66 2HD LYS 66 -12.456 -4.878 0.723 494 2HD LYS 66 3HD LYS 66 -12.552 -3.490 1.801 495 1HE LYS 66 2HE LYS 66 -14.880 -5.078 0.584 496 2HE LYS 66 3HE LYS 66 -14.320 -5.173 2.258 497 1HZ LYS 66 1HZ LYS 66 -16.250 -3.792 2.063 498 2HZ LYS 66 2HZ LYS 66 -14.971 -2.874 2.542 499 3HZ LYS 66 3HZ LYS 66 -15.511 -2.798 0.986 500 H LEU 67 H LEU 67 -8.828 -3.248 -2.221 501 HA LEU 67 HA LEU 67 -9.408 -2.446 -4.928 502 1HB LEU 67 2HB LEU 67 -6.855 -2.848 -3.354 503 2HB LEU 67 3HB LEU 67 -6.871 -2.280 -5.023 504 HG LEU 67 HG LEU 67 -8.539 -0.842 -2.925 505 1HD1 LEU 67 1HD1 LEU 67 -6.258 -0.925 -2.010 506 2HD1 LEU 67 2HD1 LEU 67 -5.610 -0.392 -3.556 507 3HD1 LEU 67 3HD1 LEU 67 -6.611 0.707 -2.610 508 1HD2 LEU 67 1HD2 LEU 67 -8.934 -0.270 -5.309 509 2HD2 LEU 67 2HD2 LEU 67 -8.184 1.075 -4.441 510 3HD2 LEU 67 3HD2 LEU 67 -7.204 0.061 -5.517 511 H GLY 68 H GLY 68 -8.791 -5.528 -3.490 512 1HA GLY 68 2HA GLY 68 -9.011 -7.561 -4.551 513 2HA GLY 68 3HA GLY 68 -8.741 -6.819 -6.136 514 H TYR 69 H TYR 69 -6.799 -6.633 -3.085 515 HA TYR 69 HA TYR 69 -4.537 -8.062 -4.384 516 1HB TYR 69 2HB TYR 69 -4.790 -5.178 -3.911 517 2HB TYR 69 3HB TYR 69 -3.474 -5.846 -2.970 518 HD1 TYR 69 HD1 TYR 69 -4.865 -5.611 -6.428 519 HD2 TYR 69 HD2 TYR 69 -1.455 -6.641 -3.999 520 HE1 TYR 69 HE1 TYR 69 -3.437 -5.556 -8.416 521 HE2 TYR 69 HE2 TYR 69 -0.024 -6.563 -5.969 522 HH TYR 69 HH TYR 69 0.097 -6.168 -8.248 523 H HIS 70 H HIS 70 -2.748 -8.347 -2.699 524 HA HIS 70 HA HIS 70 -3.670 -8.301 0.091 525 1HB HIS 70 2HB HIS 70 -4.226 -10.566 -0.964 526 2HB HIS 70 3HB HIS 70 -2.486 -10.848 -1.053 527 HD1 HIS 70 1HD HIS 70 -1.573 -9.917 1.865 528 HD2 HIS 70 2HD HIS 70 -5.127 -12.004 0.957 529 HE1 HIS 70 1HE HIS 70 -2.294 -11.076 3.985 530 H VAL 71 H VAL 71 -2.046 -7.500 1.289 531 HA VAL 71 HA VAL 71 0.705 -7.368 0.172 532 HB VAL 71 HB VAL 71 -0.556 -5.277 0.882 533 1HG1 VAL 71 1HG1 VAL 71 0.062 -6.217 3.710 534 2HG1 VAL 71 2HG1 VAL 71 -0.658 -4.677 3.218 535 3HG1 VAL 71 3HG1 VAL 71 -1.564 -6.182 2.999 536 1HG2 VAL 71 1HG2 VAL 71 1.390 -4.241 1.877 537 2HG2 VAL 71 2HG2 VAL 71 2.102 -5.836 2.196 538 3HG2 VAL 71 3HG2 VAL 71 1.829 -5.284 0.524 539 H VAL 72 H VAL 72 2.466 -8.033 1.591 540 HA VAL 72 HA VAL 72 1.712 -10.013 3.687 541 HB VAL 72 HB VAL 72 4.000 -10.181 1.795 542 1HG1 VAL 72 1HG1 VAL 72 4.468 -11.286 3.922 543 2HG1 VAL 72 2HG1 VAL 72 2.908 -12.134 3.865 544 3HG1 VAL 72 3HG1 VAL 72 4.178 -12.513 2.687 545 1HG2 VAL 72 1HG2 VAL 72 1.361 -11.732 1.821 546 2HG2 VAL 72 2HG2 VAL 72 1.882 -10.598 0.556 547 3HG2 VAL 72 3HG2 VAL 72 2.751 -12.119 0.787 548 H ILE 73 H ILE 73 2.964 -9.962 5.507 549 HA ILE 73 HA ILE 73 4.364 -7.358 5.928 550 HB ILE 73 HB ILE 73 3.087 -9.062 8.052 551 1HG1 ILE 73 2HG1 ILE 73 1.304 -8.368 6.545 552 2HG1 ILE 73 3HG1 ILE 73 1.276 -7.438 8.035 553 1HG2 ILE 73 1HG2 ILE 73 4.783 -7.560 8.932 554 2HG2 ILE 73 2HG2 ILE 73 4.238 -6.240 7.904 555 3HG2 ILE 73 3HG2 ILE 73 3.218 -6.809 9.250 556 1HD1 ILE 73 1HD1 ILE 73 2.308 -5.505 6.896 557 2HD1 ILE 73 2HD1 ILE 73 2.321 -6.420 5.366 558 3HD1 ILE 73 3HD1 ILE 73 0.788 -6.003 6.143 559 H GLU 74 H GLU 74 6.084 -8.691 4.785 560 HA GLU 74 HA GLU 74 7.320 -10.753 6.122 561 1HB GLU 74 2HB GLU 74 7.600 -9.588 3.648 562 2HB GLU 74 3HB GLU 74 9.211 -9.436 4.382 563 1HG GLU 74 2HG GLU 74 9.193 -11.512 3.209 564 2HG GLU 74 3HG GLU 74 8.994 -11.962 4.909 565 H GLY 75 H GLY 75 7.431 -7.641 6.907 566 1HA GLY 75 2HA GLY 75 10.046 -7.240 8.071 567 2HA GLY 75 3HA GLY 75 8.580 -6.314 8.439 568 H ARG 76 H ARG 76 6.987 -8.650 9.203 569 HA ARG 76 HA ARG 76 6.316 -9.723 10.989 570 1HB ARG 76 2HB ARG 76 8.040 -11.184 10.160 571 2HB ARG 76 3HB ARG 76 9.277 -10.363 11.099 572 1HG ARG 76 2HG ARG 76 8.711 -12.518 12.026 573 2HG ARG 76 3HG ARG 76 8.416 -11.220 13.171 574 1HD ARG 76 2HD ARG 76 6.026 -11.914 11.524 575 2HD ARG 76 3HD ARG 76 6.673 -13.272 12.468 576 HE ARG 76 HE ARG 76 6.363 -10.688 13.860 577 1HH1 ARG 76 2HH2 ARG 76 4.561 -13.507 12.898 578 2HH1 ARG 76 1HH2 ARG 76 3.737 -13.785 14.405 579 1HH2 ARG 76 2HH1 ARG 76 5.435 -11.072 16.005 580 2HH2 ARG 76 1HH1 ARG 76 4.236 -12.311 16.236 Start of MODEL 4 1 1H MET 1 H1 MET 1 1.109 14.436 18.632 2 2H MET 1 H2 MET 1 0.773 14.707 20.227 3 3H MET 1 H3 MET 1 -0.427 14.788 19.093 4 HA MET 1 HA MET 1 0.153 16.975 19.746 5 1HB MET 1 2HB MET 1 2.935 15.994 19.046 6 2HB MET 1 3HB MET 1 2.514 17.699 18.819 7 1HG MET 1 2HG MET 1 1.859 17.942 21.130 8 2HG MET 1 3HG MET 1 2.231 16.242 21.467 9 1HE MET 1 1HE MET 1 3.327 19.027 22.927 10 2HE MET 1 2HE MET 1 3.581 17.377 23.553 11 3HE MET 1 3HE MET 1 4.968 18.467 23.316 12 H LEU 2 H LEU 2 2.152 16.095 16.904 13 HA LEU 2 HA LEU 2 0.069 17.249 15.117 14 1HB LEU 2 2HB LEU 2 2.467 18.324 15.417 15 2HB LEU 2 3HB LEU 2 3.029 16.900 14.541 16 HG LEU 2 HG LEU 2 1.356 17.594 12.680 17 1HD1 LEU 2 1HD1 LEU 2 -0.014 19.196 14.027 18 2HD1 LEU 2 2HD1 LEU 2 1.430 20.193 14.298 19 3HD1 LEU 2 3HD1 LEU 2 0.764 20.011 12.665 20 1HD2 LEU 2 1HD2 LEU 2 2.937 19.283 11.795 21 2HD2 LEU 2 2HD2 LEU 2 3.693 19.414 13.397 22 3HD2 LEU 2 3HD2 LEU 2 3.783 17.890 12.488 23 H SER 3 H SER 3 -0.276 15.994 13.100 24 HA SER 3 HA SER 3 -0.066 13.182 13.296 25 1HB SER 3 2HB SER 3 -0.312 14.755 10.707 26 2HB SER 3 3HB SER 3 -1.014 13.187 11.134 27 HG SER 3 HG SER 3 -2.608 14.742 11.366 28 H GLU 4 H GLU 4 2.027 12.375 13.588 29 HA GLU 4 HA GLU 4 4.307 13.335 12.055 30 1HB GLU 4 2HB GLU 4 3.790 11.276 14.117 31 2HB GLU 4 3HB GLU 4 5.099 10.932 13.009 32 1HG GLU 4 2HG GLU 4 6.020 13.160 13.523 33 2HG GLU 4 3HG GLU 4 4.782 13.302 14.781 34 H GLN 5 H GLN 5 5.542 11.403 10.840 35 HA GLN 5 HA GLN 5 3.640 9.939 9.107 36 1HB GLN 5 2HB GLN 5 6.049 11.589 8.286 37 2HB GLN 5 3HB GLN 5 5.285 10.441 7.201 38 1HG GLN 5 2HG GLN 5 3.589 12.624 8.501 39 2HG GLN 5 3HG GLN 5 4.657 13.007 7.162 40 1HE2 GLN 5 1HE2 GLN 5 3.189 9.755 7.113 41 2HE2 GLN 5 2HE2 GLN 5 2.118 10.169 5.791 42 H LYS 6 H LYS 6 4.544 7.917 8.297 43 HA LYS 6 HA LYS 6 7.314 7.313 8.925 44 1HB LYS 6 2HB LYS 6 6.269 6.542 10.907 45 2HB LYS 6 3HB LYS 6 4.964 5.734 10.003 46 1HG LYS 6 2HG LYS 6 6.356 4.034 9.252 47 2HG LYS 6 3HG LYS 6 7.853 4.898 9.675 48 1HD LYS 6 2HD LYS 6 5.945 4.354 11.916 49 2HD LYS 6 3HD LYS 6 6.830 2.962 11.261 50 1HE LYS 6 2HE LYS 6 8.966 3.920 11.682 51 2HE LYS 6 3HE LYS 6 8.303 5.535 11.972 52 1HZ LYS 6 1HZ LYS 6 8.957 4.385 13.982 53 2HZ LYS 6 2HZ LYS 6 7.368 4.800 13.992 54 3HZ LYS 6 3HZ LYS 6 7.810 3.231 13.733 55 H GLU 7 H GLU 7 7.931 5.404 7.760 56 HA GLU 7 HA GLU 7 6.526 4.999 5.177 57 1HB GLU 7 2HB GLU 7 9.532 4.767 5.414 58 2HB GLU 7 3HB GLU 7 8.515 5.117 4.033 59 1HG GLU 7 2HG GLU 7 9.686 7.110 4.498 60 2HG GLU 7 3HG GLU 7 8.086 7.420 5.200 61 H ILE 8 H ILE 8 5.595 2.965 5.693 62 HA ILE 8 HA ILE 8 7.269 0.961 7.066 63 HB ILE 8 HB ILE 8 4.493 0.916 6.033 64 1HG1 ILE 8 2HG1 ILE 8 4.590 2.567 7.838 65 2HG1 ILE 8 3HG1 ILE 8 3.615 1.138 8.215 66 1HG2 ILE 8 1HG2 ILE 8 6.088 -0.996 7.633 67 2HG2 ILE 8 2HG2 ILE 8 4.291 -1.043 7.588 68 3HG2 ILE 8 3HG2 ILE 8 5.217 -1.228 6.089 69 1HD1 ILE 8 1HD1 ILE 8 5.046 1.760 10.094 70 2HD1 ILE 8 2HD1 ILE 8 5.387 0.136 9.451 71 3HD1 ILE 8 3HD1 ILE 8 6.476 1.489 9.052 72 H ALA 9 H ALA 9 7.366 -1.165 5.904 73 HA ALA 9 HA ALA 9 7.542 -0.982 2.962 74 1HB ALA 9 1HB ALA 9 9.771 -2.102 4.704 75 2HB ALA 9 2HB ALA 9 9.710 -2.077 2.933 76 3HB ALA 9 3HB ALA 9 9.846 -0.557 3.844 77 H MET 10 H MET 10 6.427 -2.760 2.166 78 HA MET 10 HA MET 10 6.247 -5.237 3.838 79 1HB MET 10 2HB MET 10 3.882 -3.866 2.529 80 2HB MET 10 3HB MET 10 3.868 -5.414 3.368 81 1HG MET 10 2HG MET 10 4.016 -4.512 5.455 82 2HG MET 10 3HG MET 10 4.770 -3.023 4.923 83 1HE MET 10 1HE MET 10 1.900 -0.813 3.644 84 2HE MET 10 2HE MET 10 3.635 -0.929 4.007 85 3HE MET 10 3HE MET 10 2.946 -1.827 2.635 86 H GLN 11 H GLN 11 5.103 -6.970 2.398 87 HA GLN 11 HA GLN 11 6.394 -6.964 -0.297 88 1HB GLN 11 2HB GLN 11 5.760 -9.079 1.827 89 2HB GLN 11 3HB GLN 11 5.876 -9.558 0.141 90 1HG GLN 11 2HG GLN 11 8.052 -8.209 1.810 91 2HG GLN 11 3HG GLN 11 8.028 -9.904 1.287 92 1HE2 GLN 11 1HE2 GLN 11 7.263 -9.838 -1.334 93 2HE2 GLN 11 2HE2 GLN 11 8.087 -8.601 -2.258 94 H VAL 12 H VAL 12 5.104 -7.905 -2.075 95 HA VAL 12 HA VAL 12 2.155 -7.915 -1.544 96 HB VAL 12 HB VAL 12 1.958 -7.244 -3.953 97 1HG1 VAL 12 1HG1 VAL 12 3.216 -5.202 -2.098 98 2HG1 VAL 12 2HG1 VAL 12 2.238 -4.842 -3.531 99 3HG1 VAL 12 3HG1 VAL 12 1.497 -5.650 -2.136 100 1HG2 VAL 12 1HG2 VAL 12 3.722 -6.215 -5.098 101 2HG2 VAL 12 2HG2 VAL 12 4.796 -6.215 -3.680 102 3HG2 VAL 12 3HG2 VAL 12 4.403 -7.738 -4.513 103 H SER 13 H SER 13 0.955 -9.210 -3.117 104 HA SER 13 HA SER 13 2.425 -11.483 -4.324 105 1HB SER 13 2HB SER 13 0.027 -11.717 -2.448 106 2HB SER 13 3HB SER 13 0.760 -13.052 -3.363 107 HG SER 13 HG SER 13 1.558 -12.926 -1.203 108 H GLY 14 H GLY 14 0.811 -12.714 -5.789 109 1HA GLY 14 2HA GLY 14 -0.992 -12.855 -7.209 110 2HA GLY 14 3HA GLY 14 -1.669 -11.378 -6.517 111 H MET 15 H MET 15 0.374 -9.569 -6.993 112 HA MET 15 HA MET 15 -0.211 -8.413 -9.296 113 1HB MET 15 2HB MET 15 1.791 -7.158 -9.248 114 2HB MET 15 3HB MET 15 1.216 -7.414 -7.589 115 1HG MET 15 2HG MET 15 3.575 -8.816 -8.900 116 2HG MET 15 3HG MET 15 3.636 -7.521 -7.730 117 1HE MET 15 1HE MET 15 3.991 -11.174 -8.205 118 2HE MET 15 2HE MET 15 5.307 -10.196 -7.503 119 3HE MET 15 3HE MET 15 4.549 -11.490 -6.548 120 H THR 16 H THR 16 -0.216 -8.890 -11.360 121 HA THR 16 HA THR 16 2.159 -10.165 -12.612 122 HB THR 16 HB THR 16 0.123 -11.293 -14.015 123 HG1 THR 16 1HG THR 16 -0.710 -11.364 -11.289 124 1HG2 THR 16 1HG2 THR 16 0.557 -13.363 -12.738 125 2HG2 THR 16 2HG2 THR 16 2.070 -12.498 -13.068 126 3HG2 THR 16 3HG2 THR 16 1.343 -12.427 -11.445 127 H CYS 17 H CYS 17 0.617 -7.431 -12.435 128 HA CYS 17 HA CYS 17 0.689 -6.792 -15.341 129 1HB CYS 17 2HB CYS 17 -0.502 -5.155 -13.080 130 2HB CYS 17 3HB CYS 17 -0.824 -5.035 -14.819 131 H ALA 18 H ALA 18 2.170 -6.167 -12.232 132 HA ALA 18 HA ALA 18 3.589 -4.690 -11.373 133 1HB ALA 18 1HB ALA 18 5.216 -3.497 -12.680 134 2HB ALA 18 2HB ALA 18 5.070 -5.154 -13.290 135 3HB ALA 18 3HB ALA 18 4.345 -3.806 -14.190 136 H ALA 19 H ALA 19 2.137 -3.029 -14.190 137 HA ALA 19 HA ALA 19 1.835 -0.465 -13.289 138 1HB ALA 19 1HB ALA 19 1.219 -1.241 -15.537 139 2HB ALA 19 2HB ALA 19 -0.192 -2.095 -14.884 140 3HB ALA 19 3HB ALA 19 -0.116 -0.322 -14.812 141 H CYS 20 H CYS 20 -0.699 -2.986 -12.800 142 HA CYS 20 HA CYS 20 -2.432 -1.442 -11.282 143 1HB CYS 20 2HB CYS 20 -1.857 -4.442 -11.267 144 2HB CYS 20 3HB CYS 20 -3.235 -3.753 -10.415 145 H ALA 21 H ALA 21 0.577 -2.915 -10.154 146 HA ALA 21 HA ALA 21 -0.081 -2.814 -7.359 147 1HB ALA 21 1HB ALA 21 2.695 -2.586 -8.548 148 2HB ALA 21 2HB ALA 21 2.183 -3.285 -6.992 149 3HB ALA 21 3HB ALA 21 1.801 -4.123 -8.492 150 H ALA 22 H ALA 22 0.810 -0.368 -9.772 151 HA ALA 22 HA ALA 22 1.435 1.691 -7.780 152 1HB ALA 22 1HB ALA 22 1.326 3.223 -9.637 153 2HB ALA 22 2HB ALA 22 2.253 1.794 -10.144 154 3HB ALA 22 3HB ALA 22 0.569 2.007 -10.681 155 H ARG 23 H ARG 23 -1.346 0.700 -9.816 156 HA ARG 23 HA ARG 23 -3.120 2.755 -9.061 157 1HB ARG 23 2HB ARG 23 -3.826 -0.126 -9.775 158 2HB ARG 23 3HB ARG 23 -4.953 1.220 -9.623 159 1HG ARG 23 2HG ARG 23 -3.579 2.461 -11.377 160 2HG ARG 23 3HG ARG 23 -2.740 0.937 -11.701 161 1HD ARG 23 2HD ARG 23 -5.741 1.451 -11.827 162 2HD ARG 23 3HD ARG 23 -4.672 1.352 -13.236 163 HE ARG 23 HE ARG 23 -4.174 -1.055 -12.212 164 1HH1 ARG 23 2HH2 ARG 23 -7.300 0.524 -12.724 165 2HH1 ARG 23 1HH2 ARG 23 -8.173 -0.963 -12.918 166 1HH2 ARG 23 2HH1 ARG 23 -5.252 -2.980 -12.600 167 2HH2 ARG 23 1HH1 ARG 23 -6.989 -3.030 -12.783 168 H ILE 24 H ILE 24 -2.591 -0.452 -7.459 169 HA ILE 24 HA ILE 24 -4.561 0.056 -5.492 170 HB ILE 24 HB ILE 24 -3.731 -1.669 -4.151 171 1HG1 ILE 24 2HG1 ILE 24 -1.247 -1.330 -5.750 172 2HG1 ILE 24 3HG1 ILE 24 -1.456 -1.222 -3.984 173 1HG2 ILE 24 1HG2 ILE 24 -4.836 -2.073 -6.468 174 2HG2 ILE 24 2HG2 ILE 24 -3.226 -2.597 -6.990 175 3HG2 ILE 24 3HG2 ILE 24 -4.045 -3.415 -5.645 176 1HD1 ILE 24 1HD1 ILE 24 -0.263 -3.250 -4.549 177 2HD1 ILE 24 2HD1 ILE 24 -1.875 -3.649 -3.902 178 3HD1 ILE 24 3HD1 ILE 24 -1.556 -3.709 -5.664 179 H GLU 25 H GLU 25 -0.985 0.633 -5.134 180 HA GLU 25 HA GLU 25 -1.160 1.920 -2.678 181 1HB GLU 25 2HB GLU 25 0.783 1.933 -4.940 182 2HB GLU 25 3HB GLU 25 0.881 3.324 -3.848 183 1HG GLU 25 2HG GLU 25 2.343 1.421 -3.161 184 2HG GLU 25 3HG GLU 25 1.195 1.902 -1.908 185 H LYS 26 H LYS 26 -1.800 3.398 -5.863 186 HA LYS 26 HA LYS 26 -2.033 6.066 -4.658 187 1HB LYS 26 2HB LYS 26 -3.024 5.103 -7.354 188 2HB LYS 26 3HB LYS 26 -2.862 6.787 -6.838 189 1HG LYS 26 2HG LYS 26 -0.568 4.805 -7.147 190 2HG LYS 26 3HG LYS 26 -1.043 6.023 -8.329 191 1HD LYS 26 2HD LYS 26 -0.358 7.815 -6.786 192 2HD LYS 26 3HD LYS 26 -0.115 6.653 -5.478 193 1HE LYS 26 2HE LYS 26 2.038 7.268 -6.378 194 2HE LYS 26 3HE LYS 26 1.710 5.551 -6.616 195 1HZ LYS 26 1HZ LYS 26 1.431 7.640 -8.681 196 2HZ LYS 26 2HZ LYS 26 2.663 6.558 -8.562 197 3HZ LYS 26 3HZ LYS 26 1.146 6.031 -8.901 198 H GLY 27 H GLY 27 -4.383 3.557 -5.648 199 1HA GLY 27 2HA GLY 27 -6.732 5.040 -4.890 200 2HA GLY 27 3HA GLY 27 -6.594 3.288 -5.131 201 H LEU 28 H LEU 28 -4.380 3.128 -3.152 202 HA LEU 28 HA LEU 28 -5.760 2.795 -0.604 203 1HB LEU 28 2HB LEU 28 -4.095 1.310 -1.394 204 2HB LEU 28 3HB LEU 28 -2.885 2.579 -1.451 205 HG LEU 28 HG LEU 28 -4.260 1.769 1.126 206 1HD1 LEU 28 1HD1 LEU 28 -3.291 -0.201 0.116 207 2HD1 LEU 28 2HD1 LEU 28 -1.764 0.656 -0.198 208 3HD1 LEU 28 3HD1 LEU 28 -2.267 0.303 1.467 209 1HD2 LEU 28 1HD2 LEU 28 -2.067 2.702 2.035 210 2HD2 LEU 28 2HD2 LEU 28 -1.685 3.258 0.402 211 3HD2 LEU 28 3HD2 LEU 28 -3.094 3.899 1.277 212 H LYS 29 H LYS 29 -3.196 4.952 -1.821 213 HA LYS 29 HA LYS 29 -2.891 6.663 0.285 214 1HB LYS 29 2HB LYS 29 -1.682 6.442 -2.001 215 2HB LYS 29 3HB LYS 29 -2.867 7.591 -2.601 216 1HG LYS 29 2HG LYS 29 -1.694 8.656 -0.168 217 2HG LYS 29 3HG LYS 29 -0.435 7.882 -1.097 218 1HD LYS 29 2HD LYS 29 -0.457 10.144 -1.966 219 2HD LYS 29 3HD LYS 29 -1.215 9.140 -3.174 220 1HE LYS 29 2HE LYS 29 -2.304 11.294 -2.683 221 2HE LYS 29 3HE LYS 29 -3.406 9.909 -2.493 222 1HZ LYS 29 1HZ LYS 29 -1.974 11.128 -0.225 223 2HZ LYS 29 2HZ LYS 29 -3.480 11.639 -0.670 224 3HZ LYS 29 3HZ LYS 29 -3.270 10.096 -0.154 225 H ARG 30 H ARG 30 -5.678 6.491 -1.715 226 HA ARG 30 HA ARG 30 -6.681 9.168 -1.308 227 1HB ARG 30 2HB ARG 30 -7.349 6.826 -2.838 228 2HB ARG 30 3HB ARG 30 -8.770 7.227 -1.887 229 1HG ARG 30 2HG ARG 30 -7.228 9.196 -3.649 230 2HG ARG 30 3HG ARG 30 -8.618 8.235 -4.177 231 1HD ARG 30 2HD ARG 30 -9.964 9.247 -2.299 232 2HD ARG 30 3HD ARG 30 -8.622 10.376 -2.007 233 HE ARG 30 HE ARG 30 -9.168 10.531 -4.742 234 1HH1 ARG 30 2HH2 ARG 30 -10.864 11.217 -1.738 235 2HH1 ARG 30 1HH2 ARG 30 -12.029 12.299 -2.437 236 1HH2 ARG 30 2HH1 ARG 30 -10.702 11.952 -5.735 237 2HH2 ARG 30 1HH1 ARG 30 -11.909 12.742 -4.778 238 H MET 31 H MET 31 -6.513 6.427 0.808 239 HA MET 31 HA MET 31 -8.962 6.818 2.240 240 1HB MET 31 2HB MET 31 -8.039 5.193 3.788 241 2HB MET 31 3HB MET 31 -7.515 4.766 2.167 242 1HG MET 31 2HG MET 31 -5.302 5.798 2.631 243 2HG MET 31 3HG MET 31 -5.829 6.268 4.226 244 1HE MET 31 1HE MET 31 -5.524 1.839 3.208 245 2HE MET 31 2HE MET 31 -7.084 2.658 3.368 246 3HE MET 31 3HE MET 31 -5.953 3.092 2.032 247 HA PRO 32 HA PRO 32 -7.696 10.117 5.101 248 1HB PRO 32 2HB PRO 32 -8.706 9.268 7.512 249 2HB PRO 32 3HB PRO 32 -9.723 9.930 6.204 250 1HG PRO 32 2HG PRO 32 -9.169 7.020 6.831 251 2HG PRO 32 3HG PRO 32 -10.760 7.794 6.572 252 1HD PRO 32 2HD PRO 32 -9.529 6.477 4.585 253 2HD PRO 32 3HD PRO 32 -10.358 8.009 4.227 254 H GLY 33 H GLY 33 -5.734 10.419 6.173 255 1HA GLY 33 2HA GLY 33 -4.162 9.912 7.728 256 2HA GLY 33 3HA GLY 33 -4.421 8.172 7.552 257 H VAL 34 H VAL 34 -4.148 7.750 4.824 258 HA VAL 34 HA VAL 34 -1.266 7.861 4.693 259 HB VAL 34 HB VAL 34 -3.225 6.889 2.612 260 1HG1 VAL 34 1HG1 VAL 34 -0.205 6.490 2.941 261 2HG1 VAL 34 2HG1 VAL 34 -1.222 5.618 1.777 262 3HG1 VAL 34 3HG1 VAL 34 -0.988 7.360 1.623 263 1HG2 VAL 34 1HG2 VAL 34 -2.692 4.665 3.505 264 2HG2 VAL 34 2HG2 VAL 34 -1.610 5.347 4.706 265 3HG2 VAL 34 3HG2 VAL 34 -3.326 5.688 4.819 266 H THR 35 H THR 35 -0.126 9.609 4.145 267 HA THR 35 HA THR 35 -1.360 11.649 2.464 268 HB THR 35 HB THR 35 0.579 11.690 4.494 269 HG1 THR 35 1HG THR 35 -0.191 13.797 2.792 270 1HG2 THR 35 1HG2 THR 35 1.758 12.735 1.872 271 2HG2 THR 35 2HG2 THR 35 2.336 13.126 3.492 272 3HG2 THR 35 3HG2 THR 35 2.434 11.456 2.918 273 H ASP 36 H ASP 36 1.400 9.255 2.109 274 HA ASP 36 HA ASP 36 1.087 9.495 -0.792 275 1HB ASP 36 2HB ASP 36 3.504 10.394 0.720 276 2HB ASP 36 3HB ASP 36 3.735 9.479 -0.771 277 H ALA 37 H ALA 37 1.967 7.810 -1.940 278 HA ALA 37 HA ALA 37 3.007 5.484 -0.460 279 1HB ALA 37 1HB ALA 37 1.202 3.970 -1.015 280 2HB ALA 37 2HB ALA 37 0.488 5.380 -0.211 281 3HB ALA 37 3HB ALA 37 0.384 5.221 -1.976 282 H ASN 38 H ASN 38 3.927 3.775 -1.761 283 HA ASN 38 HA ASN 38 4.364 4.374 -4.608 284 1HB ASN 38 2HB ASN 38 6.990 4.210 -3.544 285 2HB ASN 38 3HB ASN 38 6.213 5.574 -4.325 286 1HD2 ASN 38 1HD2 ASN 38 5.838 4.139 -0.992 287 2HD2 ASN 38 2HD2 ASN 38 6.292 5.644 -0.197 288 H VAL 39 H VAL 39 4.568 2.442 -5.594 289 HA VAL 39 HA VAL 39 5.008 0.059 -3.961 290 HB VAL 39 HB VAL 39 3.074 0.438 -5.474 291 1HG1 VAL 39 1HG1 VAL 39 3.223 0.050 -7.836 292 2HG1 VAL 39 2HG1 VAL 39 4.320 1.379 -7.454 293 3HG1 VAL 39 3HG1 VAL 39 4.939 -0.257 -7.783 294 1HG2 VAL 39 1HG2 VAL 39 2.752 -1.740 -5.457 295 2HG2 VAL 39 2HG2 VAL 39 4.117 -2.048 -6.542 296 3HG2 VAL 39 3HG2 VAL 39 4.373 -1.906 -4.784 297 H ASN 40 H ASN 40 7.142 -0.639 -3.717 298 HA ASN 40 HA ASN 40 9.137 0.211 -5.743 299 1HB ASN 40 2HB ASN 40 9.521 0.708 -3.341 300 2HB ASN 40 3HB ASN 40 9.574 -1.030 -3.013 301 1HD2 ASN 40 1HD2 ASN 40 11.805 0.104 -2.253 302 2HD2 ASN 40 2HD2 ASN 40 13.092 -0.034 -3.441 303 H LEU 41 H LEU 41 7.623 -1.362 -6.953 304 HA LEU 41 HA LEU 41 7.927 -4.179 -6.534 305 1HB LEU 41 2HB LEU 41 6.431 -2.411 -8.257 306 2HB LEU 41 3HB LEU 41 7.201 -3.600 -9.282 307 HG LEU 41 HG LEU 41 4.887 -4.090 -8.430 308 1HD1 LEU 41 1HD1 LEU 41 6.407 -6.469 -7.497 309 2HD1 LEU 41 2HD1 LEU 41 5.225 -6.280 -8.797 310 3HD1 LEU 41 3HD1 LEU 41 6.912 -5.841 -9.068 311 1HD2 LEU 41 1HD2 LEU 41 5.939 -5.130 -5.818 312 2HD2 LEU 41 2HD2 LEU 41 5.729 -3.395 -5.963 313 3HD2 LEU 41 3HD2 LEU 41 4.353 -4.469 -6.263 314 H ALA 42 H ALA 42 9.968 -1.888 -8.066 315 HA ALA 42 HA ALA 42 11.644 -3.410 -9.695 316 1HB ALA 42 1HB ALA 42 12.498 -1.471 -7.512 317 2HB ALA 42 2HB ALA 42 13.440 -1.946 -8.934 318 3HB ALA 42 3HB ALA 42 11.953 -0.984 -9.141 319 H THR 43 H THR 43 11.293 -3.508 -6.126 320 HA THR 43 HA THR 43 12.956 -5.976 -6.147 321 HB THR 43 HB THR 43 14.357 -4.316 -5.174 322 HG1 THR 43 1HG THR 43 13.108 -5.942 -3.239 323 1HG2 THR 43 1HG2 THR 43 11.987 -3.554 -3.424 324 2HG2 THR 43 2HG2 THR 43 13.664 -3.072 -3.098 325 3HG2 THR 43 3HG2 THR 43 12.870 -2.544 -4.589 326 H GLU 44 H GLU 44 10.154 -5.732 -6.596 327 HA GLU 44 HA GLU 44 8.131 -6.481 -5.915 328 1HB GLU 44 2HB GLU 44 10.016 -8.488 -4.599 329 2HB GLU 44 3HB GLU 44 8.281 -8.739 -4.828 330 1HG GLU 44 2HG GLU 44 8.519 -8.452 -7.273 331 2HG GLU 44 3HG GLU 44 10.273 -8.281 -7.075 332 H THR 45 H THR 45 9.227 -4.360 -4.006 333 HA THR 45 HA THR 45 7.878 -5.196 -1.493 334 HB THR 45 HB THR 45 9.930 -2.990 -1.914 335 HG1 THR 45 1HG THR 45 10.537 -5.473 -2.270 336 1HG2 THR 45 1HG2 THR 45 10.396 -3.386 0.469 337 2HG2 THR 45 2HG2 THR 45 8.692 -2.948 0.240 338 3HG2 THR 45 3HG2 THR 45 9.155 -4.655 0.497 339 H VAL 46 H VAL 46 6.706 -3.337 -0.416 340 HA VAL 46 HA VAL 46 5.899 -1.111 -2.232 341 HB VAL 46 HB VAL 46 4.074 -2.618 -2.378 342 1HG1 VAL 46 1HG1 VAL 46 4.188 -2.820 0.655 343 2HG1 VAL 46 2HG1 VAL 46 2.869 -3.451 -0.347 344 3HG1 VAL 46 3HG1 VAL 46 4.489 -4.141 -0.499 345 1HG2 VAL 46 1HG2 VAL 46 2.269 -1.414 -1.317 346 2HG2 VAL 46 2HG2 VAL 46 3.364 -0.567 -0.231 347 3HG2 VAL 46 3HG2 VAL 46 3.459 -0.267 -1.984 348 H ASN 47 H ASN 47 5.564 0.912 -1.188 349 HA ASN 47 HA ASN 47 6.229 0.995 1.697 350 1HB ASN 47 2HB ASN 47 7.409 2.616 -0.604 351 2HB ASN 47 3HB ASN 47 7.435 3.183 1.070 352 1HD2 ASN 47 1HD2 ASN 47 8.323 1.480 2.718 353 2HD2 ASN 47 2HD2 ASN 47 9.865 0.815 2.195 354 H VAL 48 H VAL 48 4.935 2.462 2.839 355 HA VAL 48 HA VAL 48 3.013 4.082 1.269 356 HB VAL 48 HB VAL 48 2.256 2.284 3.595 357 1HG1 VAL 48 1HG1 VAL 48 0.575 4.000 1.716 358 2HG1 VAL 48 2HG1 VAL 48 -0.013 3.033 3.076 359 3HG1 VAL 48 3HG1 VAL 48 0.991 4.459 3.376 360 1HG2 VAL 48 1HG2 VAL 48 2.589 0.877 1.622 361 2HG2 VAL 48 2HG2 VAL 48 0.860 1.075 1.928 362 3HG2 VAL 48 3HG2 VAL 48 1.635 1.998 0.626 363 H ILE 49 H ILE 49 3.084 6.111 2.019 364 HA ILE 49 HA ILE 49 4.775 6.644 4.361 365 HB ILE 49 HB ILE 49 3.964 8.577 2.154 366 1HG1 ILE 49 2HG1 ILE 49 5.104 6.906 0.952 367 2HG1 ILE 49 3HG1 ILE 49 6.201 8.262 1.182 368 1HG2 ILE 49 1HG2 ILE 49 5.932 9.844 2.951 369 2HG2 ILE 49 2HG2 ILE 49 4.691 9.655 4.195 370 3HG2 ILE 49 3HG2 ILE 49 6.154 8.662 4.260 371 1HD1 ILE 49 1HD1 ILE 49 7.460 6.239 1.523 372 2HD1 ILE 49 2HD1 ILE 49 7.259 7.014 3.098 373 3HD1 ILE 49 3HD1 ILE 49 6.272 5.600 2.670 374 H TYR 50 H TYR 50 3.312 6.700 6.097 375 HA TYR 50 HA TYR 50 0.788 8.276 5.761 376 1HB TYR 50 2HB TYR 50 -0.580 6.541 6.513 377 2HB TYR 50 3HB TYR 50 0.382 5.928 5.189 378 HD1 TYR 50 HD1 TYR 50 1.696 3.919 5.476 379 HD2 TYR 50 HD2 TYR 50 -0.057 5.865 8.895 380 HE1 TYR 50 HE1 TYR 50 1.894 1.838 6.794 381 HE2 TYR 50 HE2 TYR 50 0.576 3.959 10.307 382 HH TYR 50 HH TYR 50 1.389 1.781 10.315 383 H ASP 51 H ASP 51 -0.458 8.279 7.854 384 HA ASP 51 HA ASP 51 1.445 9.317 9.818 385 1HB ASP 51 2HB ASP 51 -0.429 10.546 10.685 386 2HB ASP 51 3HB ASP 51 -0.197 10.818 8.959 387 HA PRO 52 HA PRO 52 0.353 5.609 12.221 388 1HB PRO 52 2HB PRO 52 2.258 5.705 14.146 389 2HB PRO 52 3HB PRO 52 2.583 5.208 12.461 390 1HG PRO 52 2HG PRO 52 2.978 7.963 13.669 391 2HG PRO 52 3HG PRO 52 4.173 7.005 12.744 392 1HD PRO 52 2HD PRO 52 2.649 8.920 11.590 393 2HD PRO 52 3HD PRO 52 3.027 7.415 10.697 394 H ALA 53 H ALA 53 -0.602 8.667 12.661 395 HA ALA 53 HA ALA 53 -1.554 8.377 15.448 396 1HB ALA 53 1HB ALA 53 -0.420 10.502 14.909 397 2HB ALA 53 2HB ALA 53 -1.533 10.755 13.543 398 3HB ALA 53 3HB ALA 53 -2.155 10.744 15.207 399 H GLU 54 H GLU 54 -2.478 8.366 11.981 400 HA GLU 54 HA GLU 54 -5.315 8.124 12.827 401 1HB GLU 54 2HB GLU 54 -4.600 10.247 11.469 402 2HB GLU 54 3HB GLU 54 -4.609 9.137 10.087 403 1HG GLU 54 2HG GLU 54 -6.956 8.584 10.509 404 2HG GLU 54 3HG GLU 54 -6.954 9.601 11.964 405 H THR 55 H THR 55 -2.976 7.254 10.196 406 HA THR 55 HA THR 55 -4.204 4.595 10.188 407 HB THR 55 HB THR 55 -2.515 4.230 8.160 408 HG1 THR 55 1HG THR 55 -2.695 6.998 8.441 409 1HG2 THR 55 1HG2 THR 55 -4.911 3.854 8.247 410 2HG2 THR 55 2HG2 THR 55 -5.228 5.615 8.140 411 3HG2 THR 55 3HG2 THR 55 -4.457 4.756 6.784 412 H GLY 56 H GLY 56 -2.347 2.963 9.635 413 1HA GLY 56 2HA GLY 56 -0.578 2.034 11.453 414 2HA GLY 56 3HA GLY 56 -1.982 2.443 12.463 415 H THR 57 H THR 57 -0.943 0.727 9.846 416 HA THR 57 HA THR 57 -1.715 -0.177 8.080 417 HB THR 57 HB THR 57 -1.294 -2.650 8.364 418 HG1 THR 57 1HG THR 57 -2.094 -2.921 10.470 419 1HG2 THR 57 1HG2 THR 57 0.579 -1.008 8.053 420 2HG2 THR 57 2HG2 THR 57 0.707 -0.876 9.825 421 3HG2 THR 57 3HG2 THR 57 1.020 -2.422 9.029 422 H ALA 58 H ALA 58 -3.935 -0.783 10.634 423 HA ALA 58 HA ALA 58 -6.000 -2.252 9.848 424 1HB ALA 58 1HB ALA 58 -5.897 -0.662 11.727 425 2HB ALA 58 2HB ALA 58 -5.943 0.688 10.591 426 3HB ALA 58 3HB ALA 58 -7.374 -0.369 10.764 427 H ALA 59 H ALA 59 -5.371 0.949 8.395 428 HA ALA 59 HA ALA 59 -7.883 0.587 6.826 429 1HB ALA 59 1HB ALA 59 -7.263 2.819 7.742 430 2HB ALA 59 2HB ALA 59 -5.875 2.823 6.621 431 3HB ALA 59 3HB ALA 59 -7.532 2.808 5.986 432 H ILE 60 H ILE 60 -4.432 0.529 6.393 433 HA ILE 60 HA ILE 60 -4.190 0.213 3.580 434 HB ILE 60 HB ILE 60 -2.543 -0.286 6.026 435 1HG1 ILE 60 2HG1 ILE 60 -1.890 1.098 3.471 436 2HG1 ILE 60 3HG1 ILE 60 -3.032 1.875 4.557 437 1HG2 ILE 60 1HG2 ILE 60 -0.638 -1.008 4.663 438 2HG2 ILE 60 2HG2 ILE 60 -1.896 -2.240 4.748 439 3HG2 ILE 60 3HG2 ILE 60 -1.718 -1.266 3.270 440 1HD1 ILE 60 1HD1 ILE 60 -0.159 1.192 5.286 441 2HD1 ILE 60 2HD1 ILE 60 -0.900 2.802 5.128 442 3HD1 ILE 60 3HD1 ILE 60 -1.395 1.740 6.445 443 H GLN 61 H GLN 61 -4.433 -2.367 6.119 444 HA GLN 61 HA GLN 61 -4.413 -4.421 4.121 445 1HB GLN 61 2HB GLN 61 -4.784 -4.286 7.016 446 2HB GLN 61 3HB GLN 61 -5.960 -5.360 6.253 447 1HG GLN 61 2HG GLN 61 -4.381 -6.899 6.581 448 2HG GLN 61 3HG GLN 61 -3.840 -6.366 4.995 449 1HE2 GLN 61 1HE2 GLN 61 -2.619 -3.848 5.851 450 2HE2 GLN 61 2HE2 GLN 61 -1.218 -4.291 6.823 451 H GLU 62 H GLU 62 -7.130 -2.715 5.790 452 HA GLU 62 HA GLU 62 -9.305 -3.984 4.592 453 1HB GLU 62 2HB GLU 62 -8.751 -1.218 5.674 454 2HB GLU 62 3HB GLU 62 -10.197 -1.419 4.703 455 1HG GLU 62 2HG GLU 62 -10.840 -3.366 6.206 456 2HG GLU 62 3HG GLU 62 -9.505 -2.874 7.270 457 H LYS 63 H LYS 63 -7.682 -1.019 3.308 458 HA LYS 63 HA LYS 63 -9.218 -1.061 0.913 459 1HB LYS 63 2HB LYS 63 -6.897 0.436 2.040 460 2HB LYS 63 3HB LYS 63 -7.127 0.501 0.332 461 1HG LYS 63 2HG LYS 63 -9.362 1.078 2.354 462 2HG LYS 63 3HG LYS 63 -8.321 2.338 1.707 463 1HD LYS 63 2HD LYS 63 -10.267 0.728 0.036 464 2HD LYS 63 3HD LYS 63 -10.381 2.414 0.564 465 1HE LYS 63 2HE LYS 63 -7.943 2.563 -0.551 466 2HE LYS 63 3HE LYS 63 -8.522 1.181 -1.489 467 1HZ LYS 63 1HZ LYS 63 -10.231 2.587 -2.359 468 2HZ LYS 63 2HZ LYS 63 -9.877 3.791 -1.273 469 3HZ LYS 63 3HZ LYS 63 -8.784 3.415 -2.419 470 H ILE 64 H ILE 64 -6.042 -2.517 1.768 471 HA ILE 64 HA ILE 64 -5.017 -3.078 -0.722 472 HB ILE 64 HB ILE 64 -4.848 -4.141 2.001 473 1HG1 ILE 64 2HG1 ILE 64 -3.383 -2.393 0.920 474 2HG1 ILE 64 3HG1 ILE 64 -2.589 -3.721 1.754 475 1HG2 ILE 64 1HG2 ILE 64 -5.177 -6.256 1.203 476 2HG2 ILE 64 2HG2 ILE 64 -4.172 -5.969 -0.243 477 3HG2 ILE 64 3HG2 ILE 64 -3.441 -6.049 1.381 478 1HD1 ILE 64 1HD1 ILE 64 -1.455 -3.270 -0.336 479 2HD1 ILE 64 2HD1 ILE 64 -2.212 -4.874 -0.399 480 3HD1 ILE 64 3HD1 ILE 64 -2.952 -3.518 -1.264 481 H GLU 65 H GLU 65 -7.238 -5.036 1.374 482 HA GLU 65 HA GLU 65 -7.968 -7.040 -0.504 483 1HB GLU 65 2HB GLU 65 -9.279 -5.900 1.985 484 2HB GLU 65 3HB GLU 65 -10.078 -7.146 1.022 485 1HG GLU 65 2HG GLU 65 -7.221 -7.652 1.819 486 2HG GLU 65 3HG GLU 65 -8.483 -7.777 3.051 487 H LYS 66 H LYS 66 -9.730 -4.004 0.378 488 HA LYS 66 HA LYS 66 -11.776 -4.431 -1.507 489 1HB LYS 66 2HB LYS 66 -10.990 -2.290 0.265 490 2HB LYS 66 3HB LYS 66 -11.450 -1.578 -1.272 491 1HG LYS 66 2HG LYS 66 -13.087 -3.536 0.388 492 2HG LYS 66 3HG LYS 66 -13.304 -1.794 0.386 493 1HD LYS 66 2HD LYS 66 -13.853 -3.670 -1.981 494 2HD LYS 66 3HD LYS 66 -15.013 -2.919 -0.905 495 1HE LYS 66 2HE LYS 66 -15.202 -1.434 -2.605 496 2HE LYS 66 3HE LYS 66 -13.906 -0.635 -1.711 497 1HZ LYS 66 1HZ LYS 66 -13.349 -0.751 -4.020 498 2HZ LYS 66 2HZ LYS 66 -12.373 -1.872 -3.293 499 3HZ LYS 66 3HZ LYS 66 -13.670 -2.360 -4.103 500 H LEU 67 H LEU 67 -8.565 -3.154 -2.109 501 HA LEU 67 HA LEU 67 -9.140 -2.145 -4.779 502 1HB LEU 67 2HB LEU 67 -6.595 -2.733 -3.253 503 2HB LEU 67 3HB LEU 67 -6.602 -2.111 -4.903 504 HG LEU 67 HG LEU 67 -8.203 -0.684 -2.761 505 1HD1 LEU 67 1HD1 LEU 67 -5.902 -0.926 -1.854 506 2HD1 LEU 67 2HD1 LEU 67 -5.264 -0.233 -3.341 507 3HD1 LEU 67 3HD1 LEU 67 -6.280 0.751 -2.280 508 1HD2 LEU 67 1HD2 LEU 67 -7.715 1.289 -4.181 509 2HD2 LEU 67 2HD2 LEU 67 -6.853 0.246 -5.328 510 3HD2 LEU 67 3HD2 LEU 67 -8.594 0.035 -5.069 511 H GLY 68 H GLY 68 -8.700 -5.281 -3.408 512 1HA GLY 68 2HA GLY 68 -8.985 -7.292 -4.492 513 2HA GLY 68 3HA GLY 68 -8.713 -6.538 -6.070 514 H TYR 69 H TYR 69 -6.660 -6.297 -3.084 515 HA TYR 69 HA TYR 69 -4.529 -7.889 -4.428 516 1HB TYR 69 2HB TYR 69 -4.584 -5.029 -3.946 517 2HB TYR 69 3HB TYR 69 -3.363 -5.750 -2.921 518 HD1 TYR 69 HD1 TYR 69 -1.272 -6.463 -3.850 519 HD2 TYR 69 HD2 TYR 69 -4.640 -5.718 -6.435 520 HE1 TYR 69 HE1 TYR 69 0.234 -6.246 -5.752 521 HE2 TYR 69 HE2 TYR 69 -3.156 -5.587 -8.354 522 HH TYR 69 HH TYR 69 -0.957 -5.322 -9.021 523 H HIS 70 H HIS 70 -2.691 -8.180 -2.734 524 HA HIS 70 HA HIS 70 -3.633 -8.262 0.024 525 1HB HIS 70 2HB HIS 70 -3.907 -10.569 -1.423 526 2HB HIS 70 3HB HIS 70 -2.248 -10.765 -0.866 527 HD1 HIS 70 1HD HIS 70 -4.883 -12.480 0.050 528 HD2 HIS 70 2HD HIS 70 -3.042 -9.336 2.157 529 HE1 HIS 70 1HE HIS 70 -5.504 -12.770 2.506 530 H VAL 71 H VAL 71 -1.904 -7.871 1.416 531 HA VAL 71 HA VAL 71 0.797 -7.578 0.230 532 HB VAL 71 HB VAL 71 -0.366 -5.434 0.614 533 1HG1 VAL 71 1HG1 VAL 71 -0.065 -6.046 3.601 534 2HG1 VAL 71 2HG1 VAL 71 -0.707 -4.569 2.878 535 3HG1 VAL 71 3HG1 VAL 71 -1.622 -6.082 2.752 536 1HG2 VAL 71 1HG2 VAL 71 1.458 -4.318 1.847 537 2HG2 VAL 71 2HG2 VAL 71 2.104 -5.932 2.227 538 3HG2 VAL 71 3HG2 VAL 71 1.967 -5.383 0.534 539 H VAL 72 H VAL 72 2.400 -8.549 1.364 540 HA VAL 72 HA VAL 72 1.686 -10.253 3.681 541 HB VAL 72 HB VAL 72 3.986 -10.451 1.804 542 1HG1 VAL 72 1HG1 VAL 72 2.963 -12.351 3.955 543 2HG1 VAL 72 2HG1 VAL 72 4.225 -12.751 2.772 544 3HG1 VAL 72 3HG1 VAL 72 4.513 -11.479 3.961 545 1HG2 VAL 72 1HG2 VAL 72 2.768 -12.460 0.893 546 2HG2 VAL 72 2HG2 VAL 72 1.372 -12.032 1.904 547 3HG2 VAL 72 3HG2 VAL 72 1.890 -10.956 0.589 548 H ILE 73 H ILE 73 2.909 -10.144 5.500 549 HA ILE 73 HA ILE 73 4.400 -7.590 5.923 550 HB ILE 73 HB ILE 73 3.193 -9.384 8.007 551 1HG1 ILE 73 2HG1 ILE 73 1.319 -8.666 6.722 552 2HG1 ILE 73 3HG1 ILE 73 1.416 -7.664 8.165 553 1HG2 ILE 73 1HG2 ILE 73 5.095 -7.692 8.551 554 2HG2 ILE 73 2HG2 ILE 73 3.911 -6.435 8.228 555 3HG2 ILE 73 3HG2 ILE 73 3.609 -7.621 9.515 556 1HD1 ILE 73 1HD1 ILE 73 0.774 -6.342 6.224 557 2HD1 ILE 73 2HD1 ILE 73 2.337 -5.786 6.824 558 3HD1 ILE 73 3HD1 ILE 73 2.247 -6.791 5.361 559 H GLU 74 H GLU 74 6.134 -8.860 4.686 560 HA GLU 74 HA GLU 74 7.917 -10.130 6.537 561 1HB GLU 74 2HB GLU 74 7.105 -10.806 3.754 562 2HB GLU 74 3HB GLU 74 8.794 -11.015 4.194 563 1HG GLU 74 2HG GLU 74 6.603 -12.229 5.909 564 2HG GLU 74 3HG GLU 74 7.267 -13.070 4.497 565 H GLY 75 H GLY 75 7.323 -7.330 5.252 566 1HA GLY 75 2HA GLY 75 9.908 -6.688 3.984 567 2HA GLY 75 3HA GLY 75 8.535 -5.609 4.180 568 H ARG 76 H ARG 76 8.043 -5.613 6.898 569 HA ARG 76 HA ARG 76 10.420 -4.974 8.429 570 1HB ARG 76 2HB ARG 76 10.066 -3.115 6.705 571 2HB ARG 76 3HB ARG 76 8.505 -2.791 7.452 572 1HG ARG 76 2HG ARG 76 11.270 -2.509 8.738 573 2HG ARG 76 3HG ARG 76 10.292 -1.220 8.042 574 1HD ARG 76 2HD ARG 76 9.685 -0.888 10.200 575 2HD ARG 76 3HD ARG 76 8.457 -2.101 9.754 576 HE ARG 76 HE ARG 76 10.699 -3.517 10.648 577 1HH1 ARG 76 2HH2 ARG 76 7.925 -1.794 11.782 578 2HH1 ARG 76 1HH2 ARG 76 7.958 -2.429 13.400 579 1HH2 ARG 76 2HH1 ARG 76 10.919 -4.305 12.786 580 2HH2 ARG 76 1HH1 ARG 76 9.735 -3.904 13.990 Start of MODEL 5 1 1H MET 1 H1 MET 1 4.571 19.511 12.163 2 2H MET 1 H2 MET 1 4.359 21.018 11.471 3 3H MET 1 H3 MET 1 4.419 20.810 13.133 4 HA MET 1 HA MET 1 2.151 21.037 12.658 5 1HB MET 1 2HB MET 1 2.931 19.263 10.334 6 2HB MET 1 3HB MET 1 1.289 19.155 10.957 7 1HG MET 1 2HG MET 1 1.361 20.647 9.115 8 2HG MET 1 3HG MET 1 0.890 21.532 10.558 9 1HE MET 1 1HE MET 1 3.442 24.316 10.764 10 2HE MET 1 2HE MET 1 1.764 23.797 11.016 11 3HE MET 1 3HE MET 1 3.085 23.050 11.950 12 H LEU 2 H LEU 2 0.428 19.263 13.062 13 HA LEU 2 HA LEU 2 1.463 17.172 14.887 14 1HB LEU 2 2HB LEU 2 -0.828 16.764 15.442 15 2HB LEU 2 3HB LEU 2 -0.472 18.461 15.711 16 HG LEU 2 HG LEU 2 -1.704 17.717 13.044 17 1HD1 LEU 2 1HD1 LEU 2 -3.258 17.751 15.654 18 2HD1 LEU 2 2HD1 LEU 2 -3.954 17.688 14.019 19 3HD1 LEU 2 3HD1 LEU 2 -2.979 16.337 14.612 20 1HD2 LEU 2 1HD2 LEU 2 -2.943 19.810 13.404 21 2HD2 LEU 2 2HD2 LEU 2 -2.221 19.991 15.013 22 3HD2 LEU 2 3HD2 LEU 2 -1.213 20.116 13.560 23 H SER 3 H SER 3 0.263 14.997 14.450 24 HA SER 3 HA SER 3 -0.117 13.208 13.127 25 1HB SER 3 2HB SER 3 0.050 14.582 10.470 26 2HB SER 3 3HB SER 3 -0.995 13.284 11.030 27 HG SER 3 HG SER 3 -1.164 16.052 11.510 28 H GLU 4 H GLU 4 1.903 12.321 13.762 29 HA GLU 4 HA GLU 4 4.387 13.078 12.452 30 1HB GLU 4 2HB GLU 4 3.502 10.845 14.217 31 2HB GLU 4 3HB GLU 4 5.143 11.063 13.673 32 1HG GLU 4 2HG GLU 4 5.585 12.746 15.080 33 2HG GLU 4 3HG GLU 4 3.961 13.428 14.985 34 H GLN 5 H GLN 5 5.420 11.545 10.981 35 HA GLN 5 HA GLN 5 3.520 9.786 9.492 36 1HB GLN 5 2HB GLN 5 5.613 11.681 8.388 37 2HB GLN 5 3HB GLN 5 4.829 10.414 7.469 38 1HG GLN 5 2HG GLN 5 2.725 11.860 8.786 39 2HG GLN 5 3HG GLN 5 3.831 13.080 8.172 40 1HE2 GLN 5 1HE2 GLN 5 2.850 9.853 6.924 41 2HE2 GLN 5 2HE2 GLN 5 2.258 10.429 5.379 42 H LYS 6 H LYS 6 4.362 7.900 8.612 43 HA LYS 6 HA LYS 6 7.212 7.470 8.760 44 1HB LYS 6 2HB LYS 6 5.314 5.600 10.229 45 2HB LYS 6 3HB LYS 6 6.912 5.120 9.670 46 1HG LYS 6 2HG LYS 6 7.678 7.362 10.969 47 2HG LYS 6 3HG LYS 6 6.168 7.073 11.823 48 1HD LYS 6 2HD LYS 6 7.618 5.888 13.146 49 2HD LYS 6 3HD LYS 6 7.169 4.586 12.049 50 1HE LYS 6 2HE LYS 6 9.666 6.383 11.929 51 2HE LYS 6 3HE LYS 6 9.623 4.695 12.447 52 1HZ LYS 6 1HZ LYS 6 10.432 4.864 10.213 53 2HZ LYS 6 2HZ LYS 6 8.963 4.137 10.134 54 3HZ LYS 6 3HZ LYS 6 9.173 5.703 9.690 55 H GLU 7 H GLU 7 7.932 5.696 7.686 56 HA GLU 7 HA GLU 7 6.594 5.154 5.129 57 1HB GLU 7 2HB GLU 7 9.507 4.614 5.435 58 2HB GLU 7 3HB GLU 7 8.625 5.468 4.197 59 1HG GLU 7 2HG GLU 7 10.063 7.042 5.073 60 2HG GLU 7 3HG GLU 7 8.561 7.467 5.893 61 H ILE 8 H ILE 8 5.576 3.095 5.506 62 HA ILE 8 HA ILE 8 7.071 1.085 7.037 63 HB ILE 8 HB ILE 8 4.466 0.806 5.655 64 1HG1 ILE 8 2HG1 ILE 8 3.972 2.743 6.899 65 2HG1 ILE 8 3HG1 ILE 8 3.239 1.309 7.638 66 1HG2 ILE 8 1HG2 ILE 8 4.137 -0.778 7.606 67 2HG2 ILE 8 2HG2 ILE 8 5.385 -1.217 6.419 68 3HG2 ILE 8 3HG2 ILE 8 5.856 -0.470 7.969 69 1HD1 ILE 8 1HD1 ILE 8 5.825 2.535 8.533 70 2HD1 ILE 8 2HD1 ILE 8 4.231 2.786 9.307 71 3HD1 ILE 8 3HD1 ILE 8 4.967 1.158 9.267 72 H ALA 9 H ALA 9 7.459 -1.010 5.913 73 HA ALA 9 HA ALA 9 7.571 -0.884 2.953 74 1HB ALA 9 1HB ALA 9 9.635 -2.206 3.020 75 2HB ALA 9 2HB ALA 9 9.893 -0.656 3.848 76 3HB ALA 9 3HB ALA 9 9.657 -2.135 4.794 77 H MET 10 H MET 10 6.600 -2.748 2.071 78 HA MET 10 HA MET 10 6.351 -5.145 3.785 79 1HB MET 10 2HB MET 10 3.918 -3.891 2.447 80 2HB MET 10 3HB MET 10 4.000 -5.430 3.313 81 1HG MET 10 2HG MET 10 4.500 -4.254 5.405 82 2HG MET 10 3HG MET 10 4.323 -2.699 4.565 83 1HE MET 10 1HE MET 10 2.735 -3.560 7.215 84 2HE MET 10 2HE MET 10 2.524 -1.971 6.427 85 3HE MET 10 3HE MET 10 1.102 -2.958 6.832 86 H GLN 11 H GLN 11 5.450 -6.970 2.461 87 HA GLN 11 HA GLN 11 6.717 -6.998 -0.216 88 1HB GLN 11 2HB GLN 11 5.928 -9.056 1.886 89 2HB GLN 11 3HB GLN 11 5.898 -9.567 0.209 90 1HG GLN 11 2HG GLN 11 8.289 -8.456 1.735 91 2HG GLN 11 3HG GLN 11 8.049 -10.135 1.203 92 1HE2 GLN 11 1HE2 GLN 11 7.063 -9.741 -1.421 93 2HE2 GLN 11 2HE2 GLN 11 8.098 -8.652 -2.323 94 H VAL 12 H VAL 12 5.551 -7.869 -2.030 95 HA VAL 12 HA VAL 12 2.600 -7.352 -1.878 96 HB VAL 12 HB VAL 12 4.594 -7.083 -4.166 97 1HG1 VAL 12 1HG1 VAL 12 2.592 -6.071 -5.348 98 2HG1 VAL 12 2HG1 VAL 12 2.471 -7.811 -5.092 99 3HG1 VAL 12 3HG1 VAL 12 1.577 -6.693 -4.035 100 1HG2 VAL 12 1HG2 VAL 12 4.760 -5.248 -2.512 101 2HG2 VAL 12 2HG2 VAL 12 4.010 -4.670 -4.002 102 3HG2 VAL 12 3HG2 VAL 12 2.999 -5.013 -2.587 103 H SER 13 H SER 13 1.172 -8.940 -2.535 104 HA SER 13 HA SER 13 2.170 -11.219 -4.139 105 1HB SER 13 2HB SER 13 0.518 -11.369 -1.577 106 2HB SER 13 3HB SER 13 0.743 -12.720 -2.707 107 HG SER 13 HG SER 13 2.277 -12.787 -1.015 108 H GLY 14 H GLY 14 0.329 -12.386 -5.132 109 1HA GLY 14 2HA GLY 14 -1.643 -12.511 -6.293 110 2HA GLY 14 3HA GLY 14 -2.340 -11.392 -5.112 111 H MET 15 H MET 15 -0.207 -11.494 -8.038 112 HA MET 15 HA MET 15 -1.380 -9.017 -9.060 113 1HB MET 15 2HB MET 15 0.740 -7.867 -9.163 114 2HB MET 15 3HB MET 15 0.446 -8.342 -7.475 115 1HG MET 15 2HG MET 15 2.654 -8.939 -7.674 116 2HG MET 15 3HG MET 15 1.916 -10.452 -8.193 117 1HE MET 15 1HE MET 15 4.774 -10.340 -8.830 118 2HE MET 15 2HE MET 15 3.699 -11.520 -9.628 119 3HE MET 15 3HE MET 15 4.870 -10.590 -10.592 120 H THR 16 H THR 16 -0.843 -8.692 -11.306 121 HA THR 16 HA THR 16 0.458 -10.976 -12.711 122 HB THR 16 HB THR 16 -0.620 -9.528 -14.689 123 HG1 THR 16 1HG THR 16 -2.649 -8.704 -13.865 124 1HG2 THR 16 1HG2 THR 16 -1.149 -11.868 -14.231 125 2HG2 THR 16 2HG2 THR 16 -2.186 -11.405 -12.864 126 3HG2 THR 16 3HG2 THR 16 -2.641 -10.963 -14.529 127 H CYS 17 H CYS 17 0.296 -7.341 -12.758 128 HA CYS 17 HA CYS 17 3.068 -7.363 -13.863 129 1HB CYS 17 2HB CYS 17 2.411 -5.612 -15.405 130 2HB CYS 17 3HB CYS 17 1.390 -7.040 -15.638 131 H ALA 18 H ALA 18 4.284 -5.475 -13.559 132 HA ALA 18 HA ALA 18 3.987 -4.276 -10.924 133 1HB ALA 18 1HB ALA 18 5.978 -3.775 -13.182 134 2HB ALA 18 2HB ALA 18 6.133 -3.198 -11.512 135 3HB ALA 18 3HB ALA 18 6.183 -4.939 -11.861 136 H ALA 19 H ALA 19 1.701 -3.582 -12.108 137 HA ALA 19 HA ALA 19 1.952 -0.671 -12.570 138 1HB ALA 19 1HB ALA 19 0.718 -2.466 -14.691 139 2HB ALA 19 2HB ALA 19 0.765 -0.693 -14.693 140 3HB ALA 19 3HB ALA 19 2.273 -1.619 -14.821 141 H CYS 20 H CYS 20 -0.426 -3.451 -12.565 142 HA CYS 20 HA CYS 20 -2.569 -1.803 -11.564 143 1HB CYS 20 2HB CYS 20 -3.462 -3.974 -10.634 144 2HB CYS 20 3HB CYS 20 -3.237 -3.903 -12.389 145 H ALA 21 H ALA 21 0.036 -3.617 -9.990 146 HA ALA 21 HA ALA 21 -0.318 -3.023 -7.350 147 1HB ALA 21 1HB ALA 21 2.403 -2.733 -8.654 148 2HB ALA 21 2HB ALA 21 1.973 -3.406 -7.060 149 3HB ALA 21 3HB ALA 21 1.603 -4.305 -8.530 150 H ALA 22 H ALA 22 0.319 -0.560 -9.816 151 HA ALA 22 HA ALA 22 1.203 1.454 -7.878 152 1HB ALA 22 1HB ALA 22 1.827 1.579 -10.287 153 2HB ALA 22 2HB ALA 22 0.112 1.836 -10.690 154 3HB ALA 22 3HB ALA 22 0.972 3.018 -9.695 155 H ARG 23 H ARG 23 -1.851 0.375 -9.439 156 HA ARG 23 HA ARG 23 -3.353 2.699 -8.611 157 1HB ARG 23 2HB ARG 23 -4.163 -0.039 -9.684 158 2HB ARG 23 3HB ARG 23 -5.335 1.010 -8.897 159 1HG ARG 23 2HG ARG 23 -5.664 1.745 -11.000 160 2HG ARG 23 3HG ARG 23 -4.456 2.896 -10.480 161 1HD ARG 23 2HD ARG 23 -3.442 2.347 -12.401 162 2HD ARG 23 3HD ARG 23 -2.818 0.937 -11.519 163 HE ARG 23 HE ARG 23 -5.289 0.110 -12.440 164 1HH1 ARG 23 2HH2 ARG 23 -2.325 1.233 -13.942 165 2HH1 ARG 23 1HH2 ARG 23 -2.758 0.780 -15.564 166 1HH2 ARG 23 2HH1 ARG 23 -5.941 -0.505 -14.583 167 2HH2 ARG 23 1HH1 ARG 23 -4.857 -0.296 -15.916 168 H ILE 24 H ILE 24 -2.660 -0.452 -7.072 169 HA ILE 24 HA ILE 24 -4.535 -0.042 -5.009 170 HB ILE 24 HB ILE 24 -3.597 -1.715 -3.750 171 1HG1 ILE 24 2HG1 ILE 24 -1.101 -1.223 -5.272 172 2HG1 ILE 24 3HG1 ILE 24 -1.361 -1.137 -3.518 173 1HG2 ILE 24 1HG2 ILE 24 -3.713 -3.456 -5.285 174 2HG2 ILE 24 2HG2 ILE 24 -4.599 -2.179 -6.109 175 3HG2 ILE 24 3HG2 ILE 24 -2.934 -2.546 -6.598 176 1HD1 ILE 24 1HD1 ILE 24 -1.224 -3.629 -5.244 177 2HD1 ILE 24 2HD1 ILE 24 -0.070 -3.121 -4.009 178 3HD1 ILE 24 3HD1 ILE 24 -1.703 -3.637 -3.528 179 H GLU 25 H GLU 25 -1.053 0.743 -4.952 180 HA GLU 25 HA GLU 25 -1.049 2.110 -2.503 181 1HB GLU 25 2HB GLU 25 0.667 2.283 -5.001 182 2HB GLU 25 3HB GLU 25 0.961 3.360 -3.620 183 1HG GLU 25 2HG GLU 25 0.780 0.345 -3.254 184 2HG GLU 25 3HG GLU 25 2.286 1.200 -3.617 185 H LYS 26 H LYS 26 -1.728 3.397 -5.773 186 HA LYS 26 HA LYS 26 -1.821 6.145 -4.820 187 1HB LYS 26 2HB LYS 26 -2.588 4.782 -7.405 188 2HB LYS 26 3HB LYS 26 -3.144 6.420 -7.060 189 1HG LYS 26 2HG LYS 26 -1.121 6.593 -8.317 190 2HG LYS 26 3HG LYS 26 -0.833 7.192 -6.676 191 1HD LYS 26 2HD LYS 26 0.306 5.085 -6.094 192 2HD LYS 26 3HD LYS 26 -0.028 4.474 -7.734 193 1HE LYS 26 2HE LYS 26 1.326 6.202 -8.756 194 2HE LYS 26 3HE LYS 26 1.559 7.018 -7.199 195 1HZ LYS 26 1HZ LYS 26 2.798 5.166 -6.427 196 2HZ LYS 26 2HZ LYS 26 2.549 4.321 -7.827 197 3HZ LYS 26 3HZ LYS 26 3.452 5.696 -7.839 198 H GLY 27 H GLY 27 -4.330 3.673 -5.497 199 1HA GLY 27 2HA GLY 27 -6.553 5.320 -4.705 200 2HA GLY 27 3HA GLY 27 -6.533 3.558 -4.861 201 H LEU 28 H LEU 28 -4.183 3.382 -2.926 202 HA LEU 28 HA LEU 28 -5.623 3.455 -0.389 203 1HB LEU 28 2HB LEU 28 -4.132 1.670 -0.901 204 2HB LEU 28 3HB LEU 28 -2.776 2.760 -1.145 205 HG LEU 28 HG LEU 28 -2.886 1.375 0.974 206 1HD1 LEU 28 1HD1 LEU 28 -1.851 3.144 2.316 207 2HD1 LEU 28 2HD1 LEU 28 -1.277 3.167 0.639 208 3HD1 LEU 28 3HD1 LEU 28 -2.456 4.362 1.201 209 1HD2 LEU 28 1HD2 LEU 28 -4.838 3.520 1.902 210 2HD2 LEU 28 2HD2 LEU 28 -5.226 1.817 1.605 211 3HD2 LEU 28 3HD2 LEU 28 -4.101 2.280 2.889 212 H LYS 29 H LYS 29 -3.098 5.400 -1.961 213 HA LYS 29 HA LYS 29 -2.507 7.169 0.071 214 1HB LYS 29 2HB LYS 29 -1.554 6.843 -2.370 215 2HB LYS 29 3HB LYS 29 -2.713 8.094 -2.795 216 1HG LYS 29 2HG LYS 29 -1.372 9.094 -0.486 217 2HG LYS 29 3HG LYS 29 -0.177 8.155 -1.340 218 1HD LYS 29 2HD LYS 29 0.018 10.400 -2.253 219 2HD LYS 29 3HD LYS 29 -0.744 9.406 -3.475 220 1HE LYS 29 2HE LYS 29 -1.718 11.656 -3.147 221 2HE LYS 29 3HE LYS 29 -2.923 10.366 -2.946 222 1HZ LYS 29 1HZ LYS 29 -2.919 12.199 -1.216 223 2HZ LYS 29 2HZ LYS 29 -2.904 10.657 -0.634 224 3HZ LYS 29 3HZ LYS 29 -1.512 11.549 -0.650 225 H ARG 30 H ARG 30 -5.451 6.917 -1.564 226 HA ARG 30 HA ARG 30 -6.431 9.645 -1.119 227 1HB ARG 30 2HB ARG 30 -7.095 7.283 -2.723 228 2HB ARG 30 3HB ARG 30 -8.520 7.807 -1.863 229 1HG ARG 30 2HG ARG 30 -6.826 9.874 -3.305 230 2HG ARG 30 3HG ARG 30 -7.824 8.769 -4.254 231 1HD ARG 30 2HD ARG 30 -9.829 9.398 -3.107 232 2HD ARG 30 3HD ARG 30 -8.941 10.439 -1.966 233 HE ARG 30 HE ARG 30 -8.245 11.449 -4.428 234 1HH1 ARG 30 2HH2 ARG 30 -11.324 10.865 -2.811 235 2HH1 ARG 30 1HH2 ARG 30 -12.187 12.130 -3.628 236 1HH2 ARG 30 2HH1 ARG 30 -9.337 13.195 -5.488 237 2HH2 ARG 30 1HH1 ARG 30 -11.009 13.505 -5.165 238 H MET 31 H MET 31 -6.005 6.958 0.934 239 HA MET 31 HA MET 31 -8.528 7.188 2.335 240 1HB MET 31 2HB MET 31 -5.896 5.780 2.967 241 2HB MET 31 3HB MET 31 -7.288 5.696 4.034 242 1HG MET 31 2HG MET 31 -7.282 4.832 1.133 243 2HG MET 31 3HG MET 31 -7.117 3.764 2.527 244 1HE MET 31 1HE MET 31 -9.225 4.421 4.624 245 2HE MET 31 2HE MET 31 -10.688 3.621 4.012 246 3HE MET 31 3HE MET 31 -9.118 2.804 3.892 247 HA PRO 32 HA PRO 32 -7.450 10.395 5.245 248 1HB PRO 32 2HB PRO 32 -8.584 9.437 7.576 249 2HB PRO 32 3HB PRO 32 -9.522 10.166 6.241 250 1HG PRO 32 2HG PRO 32 -9.017 7.223 6.749 251 2HG PRO 32 3HG PRO 32 -10.584 8.021 6.420 252 1HD PRO 32 2HD PRO 32 -9.231 6.800 4.453 253 2HD PRO 32 3HD PRO 32 -10.003 8.368 4.121 254 H GLY 33 H GLY 33 -5.590 10.714 6.406 255 1HA GLY 33 2HA GLY 33 -3.898 10.231 7.915 256 2HA GLY 33 3HA GLY 33 -4.387 8.534 7.964 257 H VAL 34 H VAL 34 -4.214 8.953 4.659 258 HA VAL 34 HA VAL 34 -1.314 8.246 4.692 259 HB VAL 34 HB VAL 34 -3.329 7.651 2.522 260 1HG1 VAL 34 1HG1 VAL 34 -1.008 7.860 1.753 261 2HG1 VAL 34 2HG1 VAL 34 -0.421 6.871 3.092 262 3HG1 VAL 34 3HG1 VAL 34 -1.402 6.141 1.826 263 1HG2 VAL 34 1HG2 VAL 34 -3.928 6.355 4.530 264 2HG2 VAL 34 2HG2 VAL 34 -3.170 5.306 3.329 265 3HG2 VAL 34 3HG2 VAL 34 -2.239 5.850 4.738 266 H THR 35 H THR 35 0.074 9.724 3.975 267 HA THR 35 HA THR 35 -0.972 12.041 2.456 268 HB THR 35 HB THR 35 0.989 11.722 4.471 269 HG1 THR 35 1HG THR 35 0.723 13.812 4.604 270 1HG2 THR 35 1HG2 THR 35 2.790 11.519 2.855 271 2HG2 THR 35 2HG2 THR 35 2.138 12.869 1.881 272 3HG2 THR 35 3HG2 THR 35 2.799 13.165 3.488 273 H ASP 36 H ASP 36 1.661 9.489 2.111 274 HA ASP 36 HA ASP 36 1.314 9.697 -0.783 275 1HB ASP 36 2HB ASP 36 3.768 10.571 0.697 276 2HB ASP 36 3HB ASP 36 3.967 9.647 -0.794 277 H ALA 37 H ALA 37 2.242 8.000 -1.932 278 HA ALA 37 HA ALA 37 2.977 5.563 -0.468 279 1HB ALA 37 1HB ALA 37 0.386 5.648 -2.073 280 2HB ALA 37 2HB ALA 37 0.977 4.298 -1.095 281 3HB ALA 37 3HB ALA 37 0.429 5.772 -0.300 282 H ASN 38 H ASN 38 3.761 3.795 -1.801 283 HA ASN 38 HA ASN 38 4.335 4.477 -4.569 284 1HB ASN 38 2HB ASN 38 6.959 4.293 -3.474 285 2HB ASN 38 3HB ASN 38 6.223 5.580 -4.410 286 1HD2 ASN 38 1HD2 ASN 38 5.929 4.470 -0.964 287 2HD2 ASN 38 2HD2 ASN 38 6.376 6.043 -0.309 288 H VAL 39 H VAL 39 4.111 2.534 -5.454 289 HA VAL 39 HA VAL 39 4.858 0.157 -3.964 290 HB VAL 39 HB VAL 39 2.890 0.397 -5.563 291 1HG1 VAL 39 1HG1 VAL 39 4.890 -0.267 -7.735 292 2HG1 VAL 39 2HG1 VAL 39 3.144 -0.095 -7.862 293 3HG1 VAL 39 3HG1 VAL 39 4.134 1.331 -7.516 294 1HG2 VAL 39 1HG2 VAL 39 4.791 -1.843 -5.179 295 2HG2 VAL 39 2HG2 VAL 39 3.075 -1.704 -4.763 296 3HG2 VAL 39 3HG2 VAL 39 3.559 -2.050 -6.436 297 H ASN 40 H ASN 40 6.941 -0.661 -3.881 298 HA ASN 40 HA ASN 40 8.943 0.312 -5.873 299 1HB ASN 40 2HB ASN 40 9.424 0.811 -3.504 300 2HB ASN 40 3HB ASN 40 9.349 -0.915 -3.126 301 1HD2 ASN 40 1HD2 ASN 40 11.653 -0.172 -2.363 302 2HD2 ASN 40 2HD2 ASN 40 12.925 -0.357 -3.561 303 H LEU 41 H LEU 41 7.330 -1.237 -7.033 304 HA LEU 41 HA LEU 41 7.549 -4.038 -6.536 305 1HB LEU 41 2HB LEU 41 5.875 -2.396 -8.016 306 2HB LEU 41 3HB LEU 41 6.771 -3.214 -9.284 307 HG LEU 41 HG LEU 41 4.599 -4.238 -8.637 308 1HD1 LEU 41 1HD1 LEU 41 5.291 -6.567 -8.575 309 2HD1 LEU 41 2HD1 LEU 41 6.361 -5.666 -9.666 310 3HD1 LEU 41 3HD1 LEU 41 6.922 -6.122 -8.050 311 1HD2 LEU 41 1HD2 LEU 41 5.226 -3.773 -6.045 312 2HD2 LEU 41 2HD2 LEU 41 4.013 -4.934 -6.597 313 3HD2 LEU 41 3HD2 LEU 41 5.635 -5.484 -6.142 314 H ALA 42 H ALA 42 9.611 -1.838 -8.188 315 HA ALA 42 HA ALA 42 11.120 -3.384 -9.939 316 1HB ALA 42 1HB ALA 42 11.539 -0.979 -9.391 317 2HB ALA 42 2HB ALA 42 12.152 -1.492 -7.793 318 3HB ALA 42 3HB ALA 42 13.007 -1.982 -9.265 319 H THR 43 H THR 43 10.932 -3.619 -6.385 320 HA THR 43 HA THR 43 12.581 -6.073 -6.586 321 HB THR 43 HB THR 43 14.087 -4.430 -5.706 322 HG1 THR 43 1HG THR 43 13.018 -6.180 -3.782 323 1HG2 THR 43 1HG2 THR 43 12.589 -2.698 -4.920 324 2HG2 THR 43 2HG2 THR 43 11.934 -3.763 -3.660 325 3HG2 THR 43 3HG2 THR 43 13.621 -3.217 -3.581 326 H GLU 44 H GLU 44 9.761 -5.780 -6.767 327 HA GLU 44 HA GLU 44 7.798 -6.523 -5.925 328 1HB GLU 44 2HB GLU 44 9.764 -8.513 -4.716 329 2HB GLU 44 3HB GLU 44 8.014 -8.736 -4.759 330 1HG GLU 44 2HG GLU 44 8.879 -9.945 -6.590 331 2HG GLU 44 3HG GLU 44 8.030 -8.540 -7.244 332 H THR 45 H THR 45 8.929 -4.331 -4.238 333 HA THR 45 HA THR 45 7.766 -5.042 -1.591 334 HB THR 45 HB THR 45 9.919 -3.044 -2.404 335 HG1 THR 45 1HG THR 45 11.306 -4.561 -1.507 336 1HG2 THR 45 1HG2 THR 45 8.789 -2.339 -0.322 337 2HG2 THR 45 2HG2 THR 45 9.004 -3.985 0.339 338 3HG2 THR 45 3HG2 THR 45 10.411 -2.953 0.021 339 H VAL 46 H VAL 46 6.608 -3.252 -0.520 340 HA VAL 46 HA VAL 46 5.774 -1.004 -2.282 341 HB VAL 46 HB VAL 46 3.948 -2.571 -2.338 342 1HG1 VAL 46 1HG1 VAL 46 4.304 -3.923 -0.334 343 2HG1 VAL 46 2HG1 VAL 46 4.005 -2.503 0.702 344 3HG1 VAL 46 3HG1 VAL 46 2.698 -3.184 -0.281 345 1HG2 VAL 46 1HG2 VAL 46 2.176 -1.160 -1.561 346 2HG2 VAL 46 2HG2 VAL 46 3.230 -0.353 -0.384 347 3HG2 VAL 46 3HG2 VAL 46 3.504 -0.125 -2.123 348 H ASN 47 H ASN 47 5.551 1.029 -1.215 349 HA ASN 47 HA ASN 47 6.361 1.066 1.628 350 1HB ASN 47 2HB ASN 47 7.633 2.490 -0.750 351 2HB ASN 47 3HB ASN 47 7.644 3.229 0.850 352 1HD2 ASN 47 1HD2 ASN 47 8.347 1.621 2.707 353 2HD2 ASN 47 2HD2 ASN 47 9.922 0.940 2.348 354 H VAL 48 H VAL 48 5.123 2.604 2.808 355 HA VAL 48 HA VAL 48 3.297 4.290 1.219 356 HB VAL 48 HB VAL 48 2.048 2.284 1.585 357 1HG1 VAL 48 1HG1 VAL 48 1.514 1.439 3.845 358 2HG1 VAL 48 2HG1 VAL 48 3.207 1.216 3.401 359 3HG1 VAL 48 3HG1 VAL 48 2.756 2.499 4.534 360 1HG2 VAL 48 1HG2 VAL 48 0.227 3.273 3.076 361 2HG2 VAL 48 2HG2 VAL 48 1.270 4.692 3.255 362 3HG2 VAL 48 3HG2 VAL 48 0.730 4.205 1.652 363 H ILE 49 H ILE 49 3.229 6.272 2.051 364 HA ILE 49 HA ILE 49 4.822 6.765 4.455 365 HB ILE 49 HB ILE 49 4.096 8.762 2.270 366 1HG1 ILE 49 2HG1 ILE 49 5.263 7.081 1.080 367 2HG1 ILE 49 3HG1 ILE 49 6.296 8.486 1.297 368 1HG2 ILE 49 1HG2 ILE 49 6.023 10.009 3.147 369 2HG2 ILE 49 2HG2 ILE 49 4.774 9.763 4.374 370 3HG2 ILE 49 3HG2 ILE 49 6.248 8.782 4.415 371 1HD1 ILE 49 1HD1 ILE 49 7.488 7.313 3.158 372 2HD1 ILE 49 2HD1 ILE 49 6.493 5.869 2.849 373 3HD1 ILE 49 3HD1 ILE 49 7.604 6.466 1.608 374 H TYR 50 H TYR 50 3.183 6.677 6.066 375 HA TYR 50 HA TYR 50 0.752 8.379 5.691 376 1HB TYR 50 2HB TYR 50 -0.727 6.720 6.495 377 2HB TYR 50 3HB TYR 50 0.122 6.073 5.120 378 HD1 TYR 50 HD1 TYR 50 1.171 3.960 5.295 379 HD2 TYR 50 HD2 TYR 50 -0.193 5.958 8.835 380 HE1 TYR 50 HE1 TYR 50 1.353 1.856 6.565 381 HE2 TYR 50 HE2 TYR 50 0.423 3.986 10.183 382 HH TYR 50 HH TYR 50 1.260 1.835 10.138 383 H ASP 51 H ASP 51 -0.433 8.523 7.740 384 HA ASP 51 HA ASP 51 1.450 9.338 9.826 385 1HB ASP 51 2HB ASP 51 -1.476 9.997 9.395 386 2HB ASP 51 3HB ASP 51 -0.404 10.679 10.634 387 HA PRO 52 HA PRO 52 -0.197 5.534 11.704 388 1HB PRO 52 2HB PRO 52 1.735 4.935 13.533 389 2HB PRO 52 3HB PRO 52 1.924 4.654 11.789 390 1HG PRO 52 2HG PRO 52 2.831 7.091 13.359 391 2HG PRO 52 3HG PRO 52 3.817 6.082 12.259 392 1HD PRO 52 2HD PRO 52 2.698 8.364 11.404 393 2HD PRO 52 3HD PRO 52 2.673 6.929 10.342 394 H ALA 53 H ALA 53 -0.609 8.552 12.745 395 HA ALA 53 HA ALA 53 -1.552 7.923 15.464 396 1HB ALA 53 1HB ALA 53 -1.786 10.383 13.677 397 2HB ALA 53 2HB ALA 53 -2.376 10.247 15.345 398 3HB ALA 53 3HB ALA 53 -0.631 10.171 15.015 399 H GLU 54 H GLU 54 -2.473 8.013 12.035 400 HA GLU 54 HA GLU 54 -5.333 7.909 12.770 401 1HB GLU 54 2HB GLU 54 -3.832 9.651 10.973 402 2HB GLU 54 3HB GLU 54 -5.010 8.699 10.058 403 1HG GLU 54 2HG GLU 54 -6.037 10.763 10.735 404 2HG GLU 54 3HG GLU 54 -6.824 9.405 11.554 405 H THR 55 H THR 55 -3.080 6.946 10.098 406 HA THR 55 HA THR 55 -4.525 4.452 9.878 407 HB THR 55 HB THR 55 -2.634 4.110 7.912 408 HG1 THR 55 1HG THR 55 -3.630 6.436 7.278 409 1HG2 THR 55 1HG2 THR 55 -4.609 4.602 6.503 410 2HG2 THR 55 2HG2 THR 55 -5.063 3.626 7.922 411 3HG2 THR 55 3HG2 THR 55 -5.449 5.368 7.883 412 H GLY 56 H GLY 56 -2.830 2.689 9.226 413 1HA GLY 56 2HA GLY 56 -0.768 1.982 10.978 414 2HA GLY 56 3HA GLY 56 -2.344 1.440 11.623 415 H THR 57 H THR 57 -2.130 -0.753 10.989 416 HA THR 57 HA THR 57 -1.466 -1.599 8.269 417 HB THR 57 HB THR 57 -2.062 -3.823 9.406 418 HG1 THR 57 1HG THR 57 -2.355 -3.679 11.653 419 1HG2 THR 57 1HG2 THR 57 0.288 -2.947 9.290 420 2HG2 THR 57 2HG2 THR 57 0.036 -2.032 10.785 421 3HG2 THR 57 3HG2 THR 57 0.003 -3.806 10.815 422 H ALA 58 H ALA 58 -4.144 -1.132 10.483 423 HA ALA 58 HA ALA 58 -6.219 -2.425 9.527 424 1HB ALA 58 1HB ALA 58 -7.691 -0.648 10.398 425 2HB ALA 58 2HB ALA 58 -6.322 -0.960 11.480 426 3HB ALA 58 3HB ALA 58 -6.315 0.473 10.432 427 H ALA 59 H ALA 59 -5.487 0.792 8.221 428 HA ALA 59 HA ALA 59 -7.870 0.516 6.467 429 1HB ALA 59 1HB ALA 59 -7.102 2.766 7.329 430 2HB ALA 59 2HB ALA 59 -5.751 2.626 6.144 431 3HB ALA 59 3HB ALA 59 -7.421 2.653 5.587 432 H ILE 60 H ILE 60 -4.371 0.310 6.234 433 HA ILE 60 HA ILE 60 -4.120 0.075 3.436 434 HB ILE 60 HB ILE 60 -2.430 -0.532 5.860 435 1HG1 ILE 60 2HG1 ILE 60 -0.827 0.781 4.373 436 2HG1 ILE 60 3HG1 ILE 60 -2.168 0.979 3.236 437 1HG2 ILE 60 1HG2 ILE 60 -1.727 -1.615 3.113 438 2HG2 ILE 60 2HG2 ILE 60 -0.632 -1.481 4.510 439 3HG2 ILE 60 3HG2 ILE 60 -2.007 -2.572 4.593 440 1HD1 ILE 60 1HD1 ILE 60 -1.812 2.962 4.708 441 2HD1 ILE 60 2HD1 ILE 60 -3.352 2.221 5.180 442 3HD1 ILE 60 3HD1 ILE 60 -1.878 1.948 6.142 443 H GLN 61 H GLN 61 -4.462 -2.558 5.890 444 HA GLN 61 HA GLN 61 -4.430 -4.552 3.849 445 1HB GLN 61 2HB GLN 61 -4.735 -4.490 6.733 446 2HB GLN 61 3HB GLN 61 -5.931 -5.554 6.000 447 1HG GLN 61 2HG GLN 61 -4.451 -7.173 5.919 448 2HG GLN 61 3HG GLN 61 -3.567 -6.310 4.673 449 1HE2 GLN 61 1HE2 GLN 61 -2.418 -4.170 6.102 450 2HE2 GLN 61 2HE2 GLN 61 -1.288 -4.874 7.255 451 H GLU 62 H GLU 62 -7.156 -2.892 5.539 452 HA GLU 62 HA GLU 62 -9.365 -4.151 4.363 453 1HB GLU 62 2HB GLU 62 -8.706 -1.368 5.338 454 2HB GLU 62 3HB GLU 62 -10.198 -1.561 4.445 455 1HG GLU 62 2HG GLU 62 -9.524 -3.364 6.800 456 2HG GLU 62 3HG GLU 62 -10.298 -1.786 6.999 457 H LYS 63 H LYS 63 -7.604 -1.271 3.100 458 HA LYS 63 HA LYS 63 -9.103 -1.207 0.693 459 1HB LYS 63 2HB LYS 63 -6.728 0.161 1.890 460 2HB LYS 63 3HB LYS 63 -6.963 0.308 0.186 461 1HG LYS 63 2HG LYS 63 -9.290 0.725 2.105 462 2HG LYS 63 3HG LYS 63 -8.141 2.014 1.800 463 1HD LYS 63 2HD LYS 63 -9.569 0.615 -0.495 464 2HD LYS 63 3HD LYS 63 -10.281 2.001 0.359 465 1HE LYS 63 2HE LYS 63 -8.629 3.502 -0.331 466 2HE LYS 63 3HE LYS 63 -7.441 2.242 -0.659 467 1HZ LYS 63 1HZ LYS 63 -8.559 1.667 -2.613 468 2HZ LYS 63 2HZ LYS 63 -9.811 2.712 -2.312 469 3HZ LYS 63 3HZ LYS 63 -8.285 3.303 -2.555 470 H ILE 64 H ILE 64 -5.987 -2.728 1.563 471 HA ILE 64 HA ILE 64 -4.959 -3.235 -0.935 472 HB ILE 64 HB ILE 64 -4.752 -4.288 1.780 473 1HG1 ILE 64 2HG1 ILE 64 -3.356 -2.474 0.710 474 2HG1 ILE 64 3HG1 ILE 64 -2.502 -3.770 1.546 475 1HG2 ILE 64 1HG2 ILE 64 -3.298 -6.126 1.252 476 2HG2 ILE 64 2HG2 ILE 64 -4.999 -6.425 0.934 477 3HG2 ILE 64 3HG2 ILE 64 -3.900 -6.095 -0.429 478 1HD1 ILE 64 1HD1 ILE 64 -1.397 -3.233 -0.548 479 2HD1 ILE 64 2HD1 ILE 64 -2.044 -4.884 -0.609 480 3HD1 ILE 64 3HD1 ILE 64 -2.881 -3.580 -1.466 481 H GLU 65 H GLU 65 -7.138 -5.214 1.171 482 HA GLU 65 HA GLU 65 -7.813 -7.271 -0.661 483 1HB GLU 65 2HB GLU 65 -9.159 -6.090 1.794 484 2HB GLU 65 3HB GLU 65 -9.916 -7.389 0.872 485 1HG GLU 65 2HG GLU 65 -7.058 -7.691 1.800 486 2HG GLU 65 3HG GLU 65 -8.408 -8.002 2.901 487 H LYS 66 H LYS 66 -9.717 -4.314 0.183 488 HA LYS 66 HA LYS 66 -11.774 -4.725 -1.698 489 1HB LYS 66 2HB LYS 66 -10.643 -2.367 -0.245 490 2HB LYS 66 3HB LYS 66 -11.722 -2.020 -1.584 491 1HG LYS 66 2HG LYS 66 -12.645 -4.142 0.327 492 2HG LYS 66 3HG LYS 66 -12.552 -2.526 1.004 493 1HD LYS 66 2HD LYS 66 -13.911 -3.040 -1.674 494 2HD LYS 66 3HD LYS 66 -14.780 -3.248 -0.143 495 1HE LYS 66 2HE LYS 66 -14.458 -0.952 0.507 496 2HE LYS 66 3HE LYS 66 -13.319 -0.643 -0.806 497 1HZ LYS 66 1HZ LYS 66 -15.481 0.240 -1.272 498 2HZ LYS 66 2HZ LYS 66 -15.090 -0.916 -2.373 499 3HZ LYS 66 3HZ LYS 66 -16.173 -1.247 -1.176 500 H LEU 67 H LEU 67 -8.609 -3.246 -2.287 501 HA LEU 67 HA LEU 67 -9.217 -2.421 -5.007 502 1HB LEU 67 2HB LEU 67 -6.696 -2.663 -3.346 503 2HB LEU 67 3HB LEU 67 -6.632 -2.264 -5.057 504 HG LEU 67 HG LEU 67 -8.506 -0.653 -3.328 505 1HD1 LEU 67 1HD1 LEU 67 -5.515 -0.578 -3.161 506 2HD1 LEU 67 2HD1 LEU 67 -6.382 0.971 -3.180 507 3HD1 LEU 67 3HD1 LEU 67 -6.726 -0.242 -1.944 508 1HD2 LEU 67 1HD2 LEU 67 -6.756 0.029 -5.737 509 2HD2 LEU 67 2HD2 LEU 67 -8.481 -0.367 -5.800 510 3HD2 LEU 67 3HD2 LEU 67 -7.943 1.099 -4.970 511 H GLY 68 H GLY 68 -8.497 -5.469 -3.538 512 1HA GLY 68 2HA GLY 68 -8.720 -7.498 -4.600 513 2HA GLY 68 3HA GLY 68 -8.474 -6.753 -6.183 514 H TYR 69 H TYR 69 -6.459 -6.584 -3.168 515 HA TYR 69 HA TYR 69 -4.240 -8.022 -4.550 516 1HB TYR 69 2HB TYR 69 -4.491 -5.170 -3.969 517 2HB TYR 69 3HB TYR 69 -3.184 -5.849 -3.028 518 HD1 TYR 69 HD1 TYR 69 -1.143 -6.597 -4.047 519 HD2 TYR 69 HD2 TYR 69 -4.536 -5.570 -6.501 520 HE1 TYR 69 HE1 TYR 69 0.316 -6.451 -6.017 521 HE2 TYR 69 HE2 TYR 69 -3.070 -5.438 -8.475 522 HH TYR 69 HH TYR 69 0.445 -6.069 -8.291 523 H HIS 70 H HIS 70 -2.410 -8.393 -2.916 524 HA HIS 70 HA HIS 70 -3.340 -8.539 -0.105 525 1HB HIS 70 2HB HIS 70 -3.788 -10.708 -1.248 526 2HB HIS 70 3HB HIS 70 -2.058 -10.874 -1.562 527 HD1 HIS 70 1HD HIS 70 -1.376 -9.804 1.642 528 HD2 HIS 70 2HD HIS 70 -3.843 -12.920 0.224 529 HE1 HIS 70 1HE HIS 70 -1.577 -11.471 3.513 530 H VAL 71 H VAL 71 -1.871 -7.442 1.038 531 HA VAL 71 HA VAL 71 0.945 -7.259 0.137 532 HB VAL 71 HB VAL 71 -0.406 -5.213 0.803 533 1HG1 VAL 71 1HG1 VAL 71 -0.676 -4.663 3.139 534 2HG1 VAL 71 2HG1 VAL 71 -1.528 -6.188 2.844 535 3HG1 VAL 71 3HG1 VAL 71 0.053 -6.190 3.654 536 1HG2 VAL 71 1HG2 VAL 71 2.000 -5.197 0.616 537 2HG2 VAL 71 2HG2 VAL 71 1.464 -4.166 1.954 538 3HG2 VAL 71 3HG2 VAL 71 2.143 -5.780 2.288 539 H VAL 72 H VAL 72 2.633 -8.010 1.582 540 HA VAL 72 HA VAL 72 1.757 -9.906 3.719 541 HB VAL 72 HB VAL 72 4.014 -10.294 1.824 542 1HG1 VAL 72 1HG1 VAL 72 2.839 -12.108 3.971 543 2HG1 VAL 72 2HG1 VAL 72 4.081 -12.594 2.801 544 3HG1 VAL 72 3HG1 VAL 72 4.448 -11.349 3.993 545 1HG2 VAL 72 1HG2 VAL 72 1.260 -11.615 1.925 546 2HG2 VAL 72 2HG2 VAL 72 1.922 -10.646 0.588 547 3HG2 VAL 72 3HG2 VAL 72 2.622 -12.228 0.969 548 H ILE 73 H ILE 73 3.020 -9.897 5.528 549 HA ILE 73 HA ILE 73 4.791 -7.511 5.836 550 HB ILE 73 HB ILE 73 2.982 -8.812 7.880 551 1HG1 ILE 73 2HG1 ILE 73 2.228 -6.241 7.829 552 2HG1 ILE 73 3HG1 ILE 73 2.904 -6.299 6.201 553 1HG2 ILE 73 1HG2 ILE 73 4.823 -6.403 8.131 554 2HG2 ILE 73 2HG2 ILE 73 3.657 -6.986 9.344 555 3HG2 ILE 73 3HG2 ILE 73 5.077 -7.956 8.959 556 1HD1 ILE 73 1HD1 ILE 73 1.317 -8.090 5.630 557 2HD1 ILE 73 2HD1 ILE 73 0.771 -8.136 7.330 558 3HD1 ILE 73 3HD1 ILE 73 0.462 -6.700 6.323 559 H GLU 74 H GLU 74 6.485 -8.896 4.918 560 HA GLU 74 HA GLU 74 7.524 -11.037 6.395 561 1HB GLU 74 2HB GLU 74 8.220 -9.547 3.948 562 2HB GLU 74 3HB GLU 74 9.536 -10.403 4.752 563 1HG GLU 74 2HG GLU 74 6.954 -11.868 4.161 564 2HG GLU 74 3HG GLU 74 8.253 -11.730 2.964 565 H GLY 75 H GLY 75 7.496 -8.037 7.377 566 1HA GLY 75 2HA GLY 75 8.679 -6.813 8.976 567 2HA GLY 75 3HA GLY 75 9.467 -8.340 9.405 568 H ARG 76 H ARG 76 9.575 -5.578 7.110 569 HA ARG 76 HA ARG 76 12.467 -5.674 6.869 570 1HB ARG 76 2HB ARG 76 10.667 -6.537 4.725 571 2HB ARG 76 3HB ARG 76 11.223 -4.916 4.357 572 1HG ARG 76 2HG ARG 76 12.726 -6.301 3.275 573 2HG ARG 76 3HG ARG 76 13.612 -5.733 4.693 574 1HD ARG 76 2HD ARG 76 12.121 -8.408 4.495 575 2HD ARG 76 3HD ARG 76 13.823 -8.253 4.108 576 HE ARG 76 HE ARG 76 12.508 -8.161 6.757 577 1HH1 ARG 76 2HH2 ARG 76 15.485 -7.407 5.045 578 2HH1 ARG 76 1HH2 ARG 76 16.504 -7.480 6.451 579 1HH2 ARG 76 2HH1 ARG 76 13.701 -8.158 8.583 580 2HH2 ARG 76 1HH1 ARG 76 15.444 -7.968 8.583 Start of MODEL 6 1 1H MET 1 H1 MET 1 -3.931 17.454 17.783 2 2H MET 1 H2 MET 1 -3.592 17.746 19.394 3 3H MET 1 H3 MET 1 -3.211 18.848 18.210 4 HA MET 1 HA MET 1 -1.192 17.802 18.657 5 1HB MET 1 2HB MET 1 -2.780 15.209 18.314 6 2HB MET 1 3HB MET 1 -1.020 15.325 18.401 7 1HG MET 1 2HG MET 1 -1.287 16.428 20.684 8 2HG MET 1 3HG MET 1 -3.010 16.040 20.587 9 1HE MET 1 1HE MET 1 0.616 14.695 20.960 10 2HE MET 1 2HE MET 1 0.367 12.940 21.079 11 3HE MET 1 3HE MET 1 0.144 13.754 19.521 12 H LEU 2 H LEU 2 0.206 16.831 16.840 13 HA LEU 2 HA LEU 2 -1.091 17.296 14.203 14 1HB LEU 2 2HB LEU 2 1.338 18.335 15.337 15 2HB LEU 2 3HB LEU 2 1.834 17.134 14.171 16 HG LEU 2 HG LEU 2 -0.242 18.767 12.933 17 1HD1 LEU 2 1HD1 LEU 2 0.835 20.953 13.012 18 2HD1 LEU 2 2HD1 LEU 2 0.349 20.451 14.641 19 3HD1 LEU 2 3HD1 LEU 2 2.056 20.345 14.151 20 1HD2 LEU 2 1HD2 LEU 2 2.752 18.586 12.427 21 2HD2 LEU 2 2HD2 LEU 2 1.511 17.519 11.730 22 3HD2 LEU 2 3HD2 LEU 2 1.527 19.245 11.323 23 H SER 3 H SER 3 -0.380 15.885 12.478 24 HA SER 3 HA SER 3 -0.062 13.088 13.337 25 1HB SER 3 2HB SER 3 -0.578 14.250 10.563 26 2HB SER 3 3HB SER 3 -0.828 12.608 11.108 27 HG SER 3 HG SER 3 -2.449 13.355 12.526 28 H GLU 4 H GLU 4 2.104 12.554 13.643 29 HA GLU 4 HA GLU 4 4.207 13.483 11.825 30 1HB GLU 4 2HB GLU 4 4.037 11.697 14.182 31 2HB GLU 4 3HB GLU 4 5.238 11.289 12.988 32 1HG GLU 4 2HG GLU 4 5.967 13.722 13.163 33 2HG GLU 4 3HG GLU 4 5.022 13.731 14.660 34 H GLN 5 H GLN 5 5.396 11.735 10.614 35 HA GLN 5 HA GLN 5 3.515 9.865 9.251 36 1HB GLN 5 2HB GLN 5 5.609 11.672 8.018 37 2HB GLN 5 3HB GLN 5 4.778 10.374 7.192 38 1HG GLN 5 2HG GLN 5 2.733 12.000 8.418 39 2HG GLN 5 3HG GLN 5 3.884 13.108 7.670 40 1HE2 GLN 5 1HE2 GLN 5 2.681 9.840 6.866 41 2HE2 GLN 5 2HE2 GLN 5 2.078 10.231 5.268 42 H LYS 6 H LYS 6 4.453 7.952 8.388 43 HA LYS 6 HA LYS 6 7.337 7.629 8.644 44 1HB LYS 6 2HB LYS 6 5.389 5.657 9.833 45 2HB LYS 6 3HB LYS 6 7.013 5.184 9.424 46 1HG LYS 6 2HG LYS 6 6.713 7.524 11.310 47 2HG LYS 6 3HG LYS 6 6.372 5.906 11.899 48 1HD LYS 6 2HD LYS 6 8.685 6.576 12.370 49 2HD LYS 6 3HD LYS 6 8.568 5.099 11.389 50 1HE LYS 6 2HE LYS 6 9.035 6.276 9.386 51 2HE LYS 6 3HE LYS 6 9.006 7.878 10.177 52 1HZ LYS 6 1HZ LYS 6 11.001 5.743 10.523 53 2HZ LYS 6 2HZ LYS 6 11.160 7.140 9.676 54 3HZ LYS 6 3HZ LYS 6 11.010 7.194 11.324 55 H GLU 7 H GLU 7 8.179 6.022 7.359 56 HA GLU 7 HA GLU 7 6.642 5.377 4.911 57 1HB GLU 7 2HB GLU 7 9.618 4.978 5.020 58 2HB GLU 7 3HB GLU 7 8.571 5.512 3.734 59 1HG GLU 7 2HG GLU 7 9.896 7.360 4.224 60 2HG GLU 7 3HG GLU 7 8.446 7.755 5.160 61 H ILE 8 H ILE 8 5.646 3.357 5.478 62 HA ILE 8 HA ILE 8 7.304 1.380 6.872 63 HB ILE 8 HB ILE 8 4.525 1.174 5.883 64 1HG1 ILE 8 2HG1 ILE 8 4.304 3.091 7.214 65 2HG1 ILE 8 3HG1 ILE 8 3.718 1.698 8.141 66 1HG2 ILE 8 1HG2 ILE 8 6.167 -0.189 7.969 67 2HG2 ILE 8 2HG2 ILE 8 4.401 -0.447 7.799 68 3HG2 ILE 8 3HG2 ILE 8 5.498 -0.899 6.480 69 1HD1 ILE 8 1HD1 ILE 8 5.072 3.114 9.547 70 2HD1 ILE 8 2HD1 ILE 8 5.853 1.533 9.286 71 3HD1 ILE 8 3HD1 ILE 8 6.428 2.961 8.398 72 H ALA 9 H ALA 9 7.453 -0.792 5.854 73 HA ALA 9 HA ALA 9 7.526 -0.813 2.892 74 1HB ALA 9 1HB ALA 9 9.737 -1.853 4.722 75 2HB ALA 9 2HB ALA 9 9.695 -1.932 2.948 76 3HB ALA 9 3HB ALA 9 9.849 -0.364 3.769 77 H MET 10 H MET 10 6.766 -2.817 2.095 78 HA MET 10 HA MET 10 6.710 -5.170 3.798 79 1HB MET 10 2HB MET 10 4.230 -5.429 3.783 80 2HB MET 10 3HB MET 10 4.813 -4.089 4.757 81 1HG MET 10 2HG MET 10 4.310 -2.627 2.611 82 2HG MET 10 3HG MET 10 3.352 -4.046 2.142 83 1HE MET 10 1HE MET 10 2.436 -1.173 5.625 84 2HE MET 10 2HE MET 10 3.783 -2.326 5.748 85 3HE MET 10 3HE MET 10 3.823 -1.033 4.517 86 H GLN 11 H GLN 11 5.263 -6.930 2.525 87 HA GLN 11 HA GLN 11 6.332 -6.959 -0.262 88 1HB GLN 11 2HB GLN 11 5.609 -9.134 1.769 89 2HB GLN 11 3HB GLN 11 5.817 -9.485 0.064 90 1HG GLN 11 2HG GLN 11 7.912 -8.338 1.966 91 2HG GLN 11 3HG GLN 11 7.848 -9.999 1.346 92 1HE2 GLN 11 1HE2 GLN 11 7.374 -9.854 -1.295 93 2HE2 GLN 11 2HE2 GLN 11 8.321 -8.633 -2.108 94 H VAL 12 H VAL 12 4.906 -8.054 -1.864 95 HA VAL 12 HA VAL 12 2.003 -7.895 -1.249 96 HB VAL 12 HB VAL 12 1.931 -7.117 -3.796 97 1HG1 VAL 12 1HG1 VAL 12 0.794 -5.917 -2.087 98 2HG1 VAL 12 2HG1 VAL 12 2.312 -5.367 -1.367 99 3HG1 VAL 12 3HG1 VAL 12 1.799 -4.734 -2.948 100 1HG2 VAL 12 1HG2 VAL 12 4.501 -5.773 -2.849 101 2HG2 VAL 12 2HG2 VAL 12 4.410 -7.058 -4.081 102 3HG2 VAL 12 3HG2 VAL 12 3.616 -5.493 -4.347 103 H SER 13 H SER 13 0.657 -9.168 -2.621 104 HA SER 13 HA SER 13 1.967 -11.210 -4.288 105 1HB SER 13 2HB SER 13 0.290 -11.834 -1.813 106 2HB SER 13 3HB SER 13 0.668 -13.016 -3.082 107 HG SER 13 HG SER 13 2.182 -13.145 -1.386 108 H GLY 14 H GLY 14 0.307 -12.468 -5.463 109 1HA GLY 14 2HA GLY 14 -1.632 -12.682 -6.687 110 2HA GLY 14 3HA GLY 14 -2.454 -11.628 -5.524 111 H MET 15 H MET 15 -0.002 -11.511 -8.191 112 HA MET 15 HA MET 15 -1.278 -9.113 -9.286 113 1HB MET 15 2HB MET 15 0.793 -7.856 -9.335 114 2HB MET 15 3HB MET 15 0.344 -8.269 -7.669 115 1HG MET 15 2HG MET 15 2.652 -8.467 -7.773 116 2HG MET 15 3HG MET 15 2.063 -10.127 -7.750 117 1HE MET 15 1HE MET 15 5.462 -10.088 -9.811 118 2HE MET 15 2HE MET 15 5.052 -8.951 -8.511 119 3HE MET 15 3HE MET 15 4.654 -10.676 -8.336 120 H THR 16 H THR 16 -0.353 -8.586 -11.421 121 HA THR 16 HA THR 16 0.953 -10.896 -12.808 122 HB THR 16 HB THR 16 -0.092 -9.638 -14.881 123 HG1 THR 16 1HG THR 16 -2.099 -9.127 -12.965 124 1HG2 THR 16 1HG2 THR 16 -2.098 -11.102 -14.743 125 2HG2 THR 16 2HG2 THR 16 -0.591 -11.946 -14.352 126 3HG2 THR 16 3HG2 THR 16 -1.695 -11.470 -13.047 127 H CYS 17 H CYS 17 0.405 -7.382 -13.458 128 HA CYS 17 HA CYS 17 3.287 -7.245 -14.174 129 1HB CYS 17 2HB CYS 17 2.755 -5.548 -15.691 130 2HB CYS 17 3HB CYS 17 1.556 -6.824 -15.930 131 H ALA 18 H ALA 18 4.554 -5.483 -13.655 132 HA ALA 18 HA ALA 18 4.163 -4.346 -11.007 133 1HB ALA 18 1HB ALA 18 6.300 -3.897 -13.138 134 2HB ALA 18 2HB ALA 18 6.380 -3.337 -11.459 135 3HB ALA 18 3HB ALA 18 6.376 -5.076 -11.814 136 H ALA 19 H ALA 19 1.993 -3.507 -12.270 137 HA ALA 19 HA ALA 19 2.408 -0.583 -12.540 138 1HB ALA 19 1HB ALA 19 2.558 -1.507 -14.866 139 2HB ALA 19 2HB ALA 19 0.897 -2.115 -14.686 140 3HB ALA 19 3HB ALA 19 1.213 -0.375 -14.611 141 H CYS 20 H CYS 20 -0.096 -3.239 -12.632 142 HA CYS 20 HA CYS 20 -2.170 -1.623 -11.561 143 1HB CYS 20 2HB CYS 20 -1.716 -4.609 -11.104 144 2HB CYS 20 3HB CYS 20 -3.229 -3.710 -10.874 145 H ALA 21 H ALA 21 0.451 -3.399 -9.981 146 HA ALA 21 HA ALA 21 -0.107 -2.994 -7.303 147 1HB ALA 21 1HB ALA 21 1.891 -4.187 -8.409 148 2HB ALA 21 2HB ALA 21 2.649 -2.590 -8.514 149 3HB ALA 21 3HB ALA 21 2.208 -3.278 -6.929 150 H ALA 22 H ALA 22 0.683 -0.469 -9.684 151 HA ALA 22 HA ALA 22 1.386 1.524 -7.664 152 1HB ALA 22 1HB ALA 22 2.063 1.518 -10.158 153 2HB ALA 22 2HB ALA 22 0.410 2.087 -10.480 154 3HB ALA 22 3HB ALA 22 1.495 3.043 -9.451 155 H ARG 23 H ARG 23 -1.480 0.486 -9.515 156 HA ARG 23 HA ARG 23 -3.176 2.691 -8.878 157 1HB ARG 23 2HB ARG 23 -3.872 -0.189 -9.598 158 2HB ARG 23 3HB ARG 23 -5.025 1.143 -9.509 159 1HG ARG 23 2HG ARG 23 -3.925 2.356 -11.278 160 2HG ARG 23 3HG ARG 23 -2.564 1.219 -11.311 161 1HD ARG 23 2HD ARG 23 -4.149 -0.605 -11.982 162 2HD ARG 23 3HD ARG 23 -5.440 0.584 -12.071 163 HE ARG 23 HE ARG 23 -4.177 1.814 -13.760 164 1HH1 ARG 23 2HH2 ARG 23 -3.313 -1.688 -13.463 165 2HH1 ARG 23 1HH2 ARG 23 -2.561 -1.722 -14.990 166 1HH2 ARG 23 2HH1 ARG 23 -3.114 1.703 -15.756 167 2HH2 ARG 23 1HH1 ARG 23 -2.456 0.206 -16.326 168 H ILE 24 H ILE 24 -2.600 -0.476 -7.270 169 HA ILE 24 HA ILE 24 -4.562 -0.036 -5.288 170 HB ILE 24 HB ILE 24 -3.772 -1.756 -4.015 171 1HG1 ILE 24 2HG1 ILE 24 -1.170 -1.345 -5.372 172 2HG1 ILE 24 3HG1 ILE 24 -1.535 -1.242 -3.633 173 1HG2 ILE 24 1HG2 ILE 24 -2.968 -2.561 -6.836 174 2HG2 ILE 24 2HG2 ILE 24 -3.831 -3.484 -5.591 175 3HG2 ILE 24 3HG2 ILE 24 -4.650 -2.169 -6.418 176 1HD1 ILE 24 1HD1 ILE 24 -1.361 -3.713 -5.354 177 2HD1 ILE 24 2HD1 ILE 24 -0.242 -3.230 -4.077 178 3HD1 ILE 24 3HD1 ILE 24 -1.900 -3.713 -3.645 179 H GLU 25 H GLU 25 -1.012 0.585 -4.938 180 HA GLU 25 HA GLU 25 -1.177 1.959 -2.531 181 1HB GLU 25 2HB GLU 25 0.763 1.851 -4.791 182 2HB GLU 25 3HB GLU 25 0.855 3.319 -3.802 183 1HG GLU 25 2HG GLU 25 2.338 1.508 -2.959 184 2HG GLU 25 3HG GLU 25 1.145 2.036 -1.767 185 H LYS 26 H LYS 26 -1.928 3.281 -5.766 186 HA LYS 26 HA LYS 26 -1.994 5.994 -4.704 187 1HB LYS 26 2HB LYS 26 -2.740 4.882 -7.383 188 2HB LYS 26 3HB LYS 26 -3.242 6.497 -6.879 189 1HG LYS 26 2HG LYS 26 -1.212 6.843 -8.003 190 2HG LYS 26 3HG LYS 26 -0.840 7.053 -6.284 191 1HD LYS 26 2HD LYS 26 0.089 4.704 -6.248 192 2HD LYS 26 3HD LYS 26 -0.421 4.579 -7.930 193 1HE LYS 26 2HE LYS 26 1.940 4.941 -7.934 194 2HE LYS 26 3HE LYS 26 1.168 6.401 -8.552 195 1HZ LYS 26 1HZ LYS 26 2.186 6.056 -5.763 196 2HZ LYS 26 2HZ LYS 26 2.924 6.876 -6.980 197 3HZ LYS 26 3HZ LYS 26 1.497 7.408 -6.383 198 H GLY 27 H GLY 27 -4.534 3.584 -5.561 199 1HA GLY 27 2HA GLY 27 -6.787 5.167 -4.756 200 2HA GLY 27 3HA GLY 27 -6.707 3.399 -4.857 201 H LEU 28 H LEU 28 -4.528 3.055 -3.053 202 HA LEU 28 HA LEU 28 -5.795 2.970 -0.447 203 1HB LEU 28 2HB LEU 28 -4.242 1.363 -1.259 204 2HB LEU 28 3HB LEU 28 -2.960 2.566 -1.374 205 HG LEU 28 HG LEU 28 -4.300 1.881 1.266 206 1HD1 LEU 28 1HD1 LEU 28 -3.544 -0.182 0.328 207 2HD1 LEU 28 2HD1 LEU 28 -1.998 0.532 -0.178 208 3HD1 LEU 28 3HD1 LEU 28 -2.346 0.295 1.542 209 1HD2 LEU 28 1HD2 LEU 28 -1.614 3.104 0.427 210 2HD2 LEU 28 2HD2 LEU 28 -2.955 3.930 1.248 211 3HD2 LEU 28 3HD2 LEU 28 -2.042 2.694 2.095 212 H LYS 29 H LYS 29 -3.217 5.016 -1.880 213 HA LYS 29 HA LYS 29 -2.827 6.725 0.267 214 1HB LYS 29 2HB LYS 29 -1.506 6.458 -1.869 215 2HB LYS 29 3HB LYS 29 -2.671 7.513 -2.664 216 1HG LYS 29 2HG LYS 29 -1.656 8.744 -0.193 217 2HG LYS 29 3HG LYS 29 -0.368 8.049 -1.138 218 1HD LYS 29 2HD LYS 29 -0.510 10.280 -2.002 219 2HD LYS 29 3HD LYS 29 -1.233 9.240 -3.205 220 1HE LYS 29 2HE LYS 29 -2.434 11.327 -2.754 221 2HE LYS 29 3HE LYS 29 -3.458 9.899 -2.475 222 1HZ LYS 29 1HZ LYS 29 -2.011 11.249 -0.286 223 2HZ LYS 29 2HZ LYS 29 -3.536 11.715 -0.720 224 3HZ LYS 29 3HZ LYS 29 -3.282 10.193 -0.164 225 H ARG 30 H ARG 30 -5.522 6.649 -1.926 226 HA ARG 30 HA ARG 30 -6.472 9.344 -1.406 227 1HB ARG 30 2HB ARG 30 -7.161 7.074 -3.080 228 2HB ARG 30 3HB ARG 30 -8.611 7.627 -2.263 229 1HG ARG 30 2HG ARG 30 -6.735 9.588 -3.648 230 2HG ARG 30 3HG ARG 30 -7.849 8.590 -4.588 231 1HD ARG 30 2HD ARG 30 -9.763 9.396 -3.355 232 2HD ARG 30 3HD ARG 30 -8.737 10.418 -2.319 233 HE ARG 30 HE ARG 30 -8.063 11.232 -4.848 234 1HH1 ARG 30 2HH2 ARG 30 -11.142 10.973 -3.151 235 2HH1 ARG 30 1HH2 ARG 30 -11.950 12.193 -4.083 236 1HH2 ARG 30 2HH1 ARG 30 -9.080 12.906 -6.075 237 2HH2 ARG 30 1HH1 ARG 30 -10.727 13.342 -5.765 238 H MET 31 H MET 31 -6.379 6.572 0.611 239 HA MET 31 HA MET 31 -8.911 6.978 1.913 240 1HB MET 31 2HB MET 31 -8.269 5.164 3.276 241 2HB MET 31 3HB MET 31 -7.487 4.850 1.723 242 1HG MET 31 2HG MET 31 -5.378 5.847 2.809 243 2HG MET 31 3HG MET 31 -6.293 5.798 4.305 244 1HE MET 31 1HE MET 31 -5.220 2.628 5.679 245 2HE MET 31 2HE MET 31 -4.254 4.044 5.424 246 3HE MET 31 3HE MET 31 -5.975 4.223 5.852 247 HA PRO 32 HA PRO 32 -7.686 10.088 4.911 248 1HB PRO 32 2HB PRO 32 -8.977 9.308 7.205 249 2HB PRO 32 3HB PRO 32 -9.832 10.012 5.801 250 1HG PRO 32 2HG PRO 32 -9.482 7.076 6.459 251 2HG PRO 32 3HG PRO 32 -11.003 7.929 6.061 252 1HD PRO 32 2HD PRO 32 -9.646 6.565 4.185 253 2HD PRO 32 3HD PRO 32 -10.370 8.137 3.762 254 H GLY 33 H GLY 33 -5.841 10.255 6.161 255 1HA GLY 33 2HA GLY 33 -4.377 9.583 7.857 256 2HA GLY 33 3HA GLY 33 -4.847 7.897 7.673 257 H VAL 34 H VAL 34 -4.478 8.046 4.559 258 HA VAL 34 HA VAL 34 -1.520 7.862 4.675 259 HB VAL 34 HB VAL 34 -3.372 7.053 2.449 260 1HG1 VAL 34 1HG1 VAL 34 -1.316 5.734 1.777 261 2HG1 VAL 34 2HG1 VAL 34 -1.056 7.483 1.693 262 3HG1 VAL 34 3HG1 VAL 34 -0.404 6.562 3.047 263 1HG2 VAL 34 1HG2 VAL 34 -3.789 5.824 4.502 264 2HG2 VAL 34 2HG2 VAL 34 -2.982 4.765 3.331 265 3HG2 VAL 34 3HG2 VAL 34 -2.078 5.435 4.700 266 H THR 35 H THR 35 -0.248 9.449 4.033 267 HA THR 35 HA THR 35 -1.412 11.707 2.570 268 HB THR 35 HB THR 35 1.202 11.400 3.927 269 HG1 THR 35 1HG THR 35 -0.191 11.704 5.613 270 1HG2 THR 35 1HG2 THR 35 1.208 13.874 3.823 271 2HG2 THR 35 2HG2 THR 35 1.312 13.150 2.201 272 3HG2 THR 35 3HG2 THR 35 -0.235 13.825 2.789 273 H ASP 36 H ASP 36 1.429 9.405 2.112 274 HA ASP 36 HA ASP 36 1.034 9.679 -0.771 275 1HB ASP 36 2HB ASP 36 3.450 10.654 0.653 276 2HB ASP 36 3HB ASP 36 3.726 9.645 -0.770 277 H ALA 37 H ALA 37 1.962 8.003 -1.970 278 HA ALA 37 HA ALA 37 3.072 5.707 -0.539 279 1HB ALA 37 1HB ALA 37 0.537 5.540 -0.202 280 2HB ALA 37 2HB ALA 37 0.434 5.220 -1.947 281 3HB ALA 37 3HB ALA 37 1.338 4.116 -0.891 282 H ASN 38 H ASN 38 3.941 3.918 -1.819 283 HA ASN 38 HA ASN 38 4.372 4.543 -4.674 284 1HB ASN 38 2HB ASN 38 6.986 4.395 -3.625 285 2HB ASN 38 3HB ASN 38 6.184 5.797 -4.304 286 1HD2 ASN 38 1HD2 ASN 38 6.019 4.082 -1.132 287 2HD2 ASN 38 2HD2 ASN 38 6.312 5.544 -0.183 288 H VAL 39 H VAL 39 4.158 2.515 -5.476 289 HA VAL 39 HA VAL 39 4.875 0.226 -3.851 290 HB VAL 39 HB VAL 39 2.907 0.412 -5.361 291 1HG1 VAL 39 1HG1 VAL 39 4.062 1.356 -7.385 292 2HG1 VAL 39 2HG1 VAL 39 4.841 -0.225 -7.637 293 3HG1 VAL 39 3HG1 VAL 39 3.108 -0.095 -7.719 294 1HG2 VAL 39 1HG2 VAL 39 4.059 -2.038 -6.370 295 2HG2 VAL 39 2HG2 VAL 39 4.442 -1.825 -4.650 296 3HG2 VAL 39 3HG2 VAL 39 2.761 -1.789 -5.192 297 H ASN 40 H ASN 40 7.000 -0.552 -3.719 298 HA ASN 40 HA ASN 40 8.950 0.342 -5.788 299 1HB ASN 40 2HB ASN 40 9.317 0.901 -3.382 300 2HB ASN 40 3HB ASN 40 9.523 -0.815 -3.049 301 1HD2 ASN 40 1HD2 ASN 40 11.213 -1.908 -4.575 302 2HD2 ASN 40 2HD2 ASN 40 12.674 -0.956 -4.894 303 H LEU 41 H LEU 41 7.387 -1.277 -6.905 304 HA LEU 41 HA LEU 41 7.778 -4.080 -6.511 305 1HB LEU 41 2HB LEU 41 6.195 -2.349 -8.181 306 2HB LEU 41 3HB LEU 41 7.017 -3.467 -9.248 307 HG LEU 41 HG LEU 41 4.715 -4.071 -8.418 308 1HD1 LEU 41 1HD1 LEU 41 6.132 -5.721 -9.533 309 2HD1 LEU 41 2HD1 LEU 41 6.938 -6.106 -8.001 310 3HD1 LEU 41 3HD1 LEU 41 5.215 -6.475 -8.218 311 1HD2 LEU 41 1HD2 LEU 41 4.237 -4.731 -6.315 312 2HD2 LEU 41 2HD2 LEU 41 5.873 -5.303 -5.949 313 3HD2 LEU 41 3HD2 LEU 41 5.520 -3.576 -5.890 314 H ALA 42 H ALA 42 9.738 -1.721 -8.028 315 HA ALA 42 HA ALA 42 11.418 -3.001 -9.769 316 1HB ALA 42 1HB ALA 42 11.733 -0.684 -8.934 317 2HB ALA 42 2HB ALA 42 12.249 -1.345 -7.357 318 3HB ALA 42 3HB ALA 42 13.227 -1.648 -8.803 319 H THR 43 H THR 43 11.269 -3.548 -6.220 320 HA THR 43 HA THR 43 12.789 -6.040 -6.703 321 HB THR 43 HB THR 43 14.458 -4.610 -5.758 322 HG1 THR 43 1HG THR 43 13.387 -6.487 -3.953 323 1HG2 THR 43 1HG2 THR 43 12.334 -3.887 -3.745 324 2HG2 THR 43 2HG2 THR 43 14.036 -3.919 -3.244 325 3HG2 THR 43 3HG2 THR 43 13.537 -2.874 -4.577 326 H GLU 44 H GLU 44 10.003 -5.628 -6.721 327 HA GLU 44 HA GLU 44 8.109 -6.512 -5.946 328 1HB GLU 44 2HB GLU 44 10.247 -8.451 -5.678 329 2HB GLU 44 3HB GLU 44 9.057 -8.772 -4.433 330 1HG GLU 44 2HG GLU 44 8.351 -8.401 -7.378 331 2HG GLU 44 3HG GLU 44 8.682 -9.961 -6.611 332 H THR 45 H THR 45 9.013 -4.367 -4.279 333 HA THR 45 HA THR 45 7.909 -5.136 -1.631 334 HB THR 45 HB THR 45 9.846 -2.887 -2.306 335 HG1 THR 45 1HG THR 45 11.449 -4.404 -1.530 336 1HG2 THR 45 1HG2 THR 45 10.482 -3.158 0.070 337 2HG2 THR 45 2HG2 THR 45 8.762 -2.768 -0.089 338 3HG2 THR 45 3HG2 THR 45 9.267 -4.449 0.232 339 H VAL 46 H VAL 46 6.689 -3.361 -0.560 340 HA VAL 46 HA VAL 46 5.687 -1.193 -2.363 341 HB VAL 46 HB VAL 46 3.841 -2.598 -2.344 342 1HG1 VAL 46 1HG1 VAL 46 4.467 -4.369 -0.872 343 2HG1 VAL 46 2HG1 VAL 46 4.594 -3.244 0.493 344 3HG1 VAL 46 3HG1 VAL 46 3.002 -3.659 -0.162 345 1HG2 VAL 46 1HG2 VAL 46 3.375 -0.937 0.175 346 2HG2 VAL 46 2HG2 VAL 46 3.283 -0.309 -1.490 347 3HG2 VAL 46 3HG2 VAL 46 2.171 -1.584 -0.941 348 H ASN 47 H ASN 47 5.440 0.919 -1.337 349 HA ASN 47 HA ASN 47 6.199 0.996 1.508 350 1HB ASN 47 2HB ASN 47 7.437 2.531 -0.820 351 2HB ASN 47 3HB ASN 47 7.411 3.190 0.819 352 1HD2 ASN 47 1HD2 ASN 47 8.284 1.681 2.589 353 2HD2 ASN 47 2HD2 ASN 47 9.846 0.999 2.154 354 H VAL 48 H VAL 48 5.188 2.751 2.628 355 HA VAL 48 HA VAL 48 3.171 4.270 1.132 356 HB VAL 48 HB VAL 48 2.075 2.169 1.466 357 1HG1 VAL 48 1HG1 VAL 48 3.359 1.183 3.265 358 2HG1 VAL 48 2HG1 VAL 48 2.741 2.371 4.421 359 3HG1 VAL 48 3HG1 VAL 48 1.646 1.194 3.669 360 1HG2 VAL 48 1HG2 VAL 48 1.064 4.379 3.284 361 2HG2 VAL 48 2HG2 VAL 48 0.653 4.049 1.601 362 3HG2 VAL 48 3HG2 VAL 48 0.148 2.918 2.859 363 H ILE 49 H ILE 49 3.039 6.229 1.953 364 HA ILE 49 HA ILE 49 4.697 6.844 4.301 365 HB ILE 49 HB ILE 49 3.881 8.754 2.081 366 1HG1 ILE 49 2HG1 ILE 49 5.028 7.087 0.858 367 2HG1 ILE 49 3HG1 ILE 49 6.085 8.474 1.076 368 1HG2 ILE 49 1HG2 ILE 49 6.088 8.830 4.169 369 2HG2 ILE 49 2HG2 ILE 49 5.835 10.026 2.877 370 3HG2 ILE 49 3HG2 ILE 49 4.613 9.807 4.136 371 1HD1 ILE 49 1HD1 ILE 49 6.266 5.803 2.525 372 2HD1 ILE 49 2HD1 ILE 49 7.420 6.514 1.387 373 3HD1 ILE 49 3HD1 ILE 49 7.203 7.244 2.983 374 H TYR 50 H TYR 50 3.058 6.636 5.887 375 HA TYR 50 HA TYR 50 0.546 8.254 5.530 376 1HB TYR 50 2HB TYR 50 -0.768 6.559 6.543 377 2HB TYR 50 3HB TYR 50 0.050 5.898 5.145 378 HD1 TYR 50 HD1 TYR 50 -0.114 5.894 8.855 379 HD2 TYR 50 HD2 TYR 50 1.610 4.077 5.362 380 HE1 TYR 50 HE1 TYR 50 0.489 3.905 10.181 381 HE2 TYR 50 HE2 TYR 50 1.893 1.960 6.615 382 HH TYR 50 HH TYR 50 0.478 1.078 8.791 383 H ASP 51 H ASP 51 -0.522 8.529 7.587 384 HA ASP 51 HA ASP 51 1.432 9.458 9.556 385 1HB ASP 51 2HB ASP 51 -1.522 9.981 9.232 386 2HB ASP 51 3HB ASP 51 -0.396 10.698 10.405 387 HA PRO 52 HA PRO 52 0.079 5.659 11.683 388 1HB PRO 52 2HB PRO 52 2.246 5.039 13.192 389 2HB PRO 52 3HB PRO 52 2.226 4.823 11.430 390 1HG PRO 52 2HG PRO 52 3.241 7.262 12.951 391 2HG PRO 52 3HG PRO 52 4.133 6.288 11.747 392 1HD PRO 52 2HD PRO 52 2.867 8.532 11.013 393 2HD PRO 52 3HD PRO 52 2.780 7.072 9.976 394 H ALA 53 H ALA 53 -0.134 8.661 12.704 395 HA ALA 53 HA ALA 53 -0.598 8.144 15.589 396 1HB ALA 53 1HB ALA 53 -1.173 10.562 15.586 397 2HB ALA 53 2HB ALA 53 0.490 10.271 15.025 398 3HB ALA 53 3HB ALA 53 -0.798 10.638 13.848 399 H GLU 54 H GLU 54 -2.042 8.154 12.408 400 HA GLU 54 HA GLU 54 -4.785 8.268 13.519 401 1HB GLU 54 2HB GLU 54 -3.564 9.945 11.632 402 2HB GLU 54 3HB GLU 54 -4.440 8.805 10.613 403 1HG GLU 54 2HG GLU 54 -5.750 10.268 12.953 404 2HG GLU 54 3HG GLU 54 -5.626 10.954 11.332 405 H THR 55 H THR 55 -2.827 6.997 10.794 406 HA THR 55 HA THR 55 -4.399 4.520 10.803 407 HB THR 55 HB THR 55 -2.747 4.155 8.634 408 HG1 THR 55 1HG THR 55 -3.233 6.916 8.860 409 1HG2 THR 55 1HG2 THR 55 -5.440 5.564 8.971 410 2HG2 THR 55 2HG2 THR 55 -4.707 5.170 7.398 411 3HG2 THR 55 3HG2 THR 55 -5.085 3.857 8.555 412 H GLY 56 H GLY 56 -2.985 2.731 9.981 413 1HA GLY 56 2HA GLY 56 -0.503 2.173 11.276 414 2HA GLY 56 3HA GLY 56 -1.877 1.373 12.075 415 H THR 57 H THR 57 -2.228 -0.593 11.203 416 HA THR 57 HA THR 57 -1.544 -1.360 8.455 417 HB THR 57 HB THR 57 -2.103 -3.632 9.535 418 HG1 THR 57 1HG THR 57 -2.052 -3.501 11.857 419 1HG2 THR 57 1HG2 THR 57 0.092 -3.665 10.745 420 2HG2 THR 57 2HG2 THR 57 0.229 -2.774 9.219 421 3HG2 THR 57 3HG2 THR 57 0.137 -1.891 10.750 422 H ALA 58 H ALA 58 -4.133 -0.619 10.679 423 HA ALA 58 HA ALA 58 -6.029 -2.289 9.993 424 1HB ALA 58 1HB ALA 58 -7.664 -0.695 10.947 425 2HB ALA 58 2HB ALA 58 -6.176 -0.795 11.907 426 3HB ALA 58 3HB ALA 58 -6.450 0.595 10.837 427 H ALA 59 H ALA 59 -5.802 0.872 8.593 428 HA ALA 59 HA ALA 59 -8.233 0.309 6.943 429 1HB ALA 59 1HB ALA 59 -7.865 2.663 6.084 430 2HB ALA 59 2HB ALA 59 -8.339 2.442 7.778 431 3HB ALA 59 3HB ALA 59 -6.661 2.807 7.399 432 H ILE 60 H ILE 60 -4.808 0.173 6.706 433 HA ILE 60 HA ILE 60 -4.561 0.374 3.853 434 HB ILE 60 HB ILE 60 -2.822 -0.158 6.234 435 1HG1 ILE 60 2HG1 ILE 60 -2.452 1.153 3.558 436 2HG1 ILE 60 3HG1 ILE 60 -3.235 1.964 4.900 437 1HG2 ILE 60 1HG2 ILE 60 -1.971 -1.193 3.498 438 2HG2 ILE 60 2HG2 ILE 60 -0.939 -0.997 4.935 439 3HG2 ILE 60 3HG2 ILE 60 -2.231 -2.184 4.952 440 1HD1 ILE 60 1HD1 ILE 60 -1.185 1.697 6.302 441 2HD1 ILE 60 2HD1 ILE 60 -0.319 1.136 4.856 442 3HD1 ILE 60 3HD1 ILE 60 -0.998 2.774 4.913 443 H GLN 61 H GLN 61 -4.753 -2.366 6.143 444 HA GLN 61 HA GLN 61 -4.463 -4.359 4.088 445 1HB GLN 61 2HB GLN 61 -5.205 -4.295 6.966 446 2HB GLN 61 3HB GLN 61 -6.037 -5.512 5.996 447 1HG GLN 61 2HG GLN 61 -4.169 -6.593 6.887 448 2HG GLN 61 3HG GLN 61 -3.960 -6.436 5.142 449 1HE2 GLN 61 1HE2 GLN 61 -3.321 -3.472 7.058 450 2HE2 GLN 61 2HE2 GLN 61 -1.583 -3.659 6.936 451 H GLU 62 H GLU 62 -7.309 -2.806 5.632 452 HA GLU 62 HA GLU 62 -9.427 -3.974 4.223 453 1HB GLU 62 2HB GLU 62 -8.868 -1.372 5.585 454 2HB GLU 62 3HB GLU 62 -10.191 -1.326 4.426 455 1HG GLU 62 2HG GLU 62 -10.033 -3.479 6.566 456 2HG GLU 62 3HG GLU 62 -10.750 -1.892 6.868 457 H LYS 63 H LYS 63 -7.652 -0.968 3.245 458 HA LYS 63 HA LYS 63 -8.963 -0.782 0.768 459 1HB LYS 63 2HB LYS 63 -6.526 0.393 2.101 460 2HB LYS 63 3HB LYS 63 -6.728 0.636 0.391 461 1HG LYS 63 2HG LYS 63 -8.969 1.142 2.360 462 2HG LYS 63 3HG LYS 63 -7.789 2.397 1.962 463 1HD LYS 63 2HD LYS 63 -8.651 2.813 -0.118 464 2HD LYS 63 3HD LYS 63 -8.936 1.118 -0.462 465 1HE LYS 63 2HE LYS 63 -11.059 2.298 -0.417 466 2HE LYS 63 3HE LYS 63 -10.988 1.087 0.870 467 1HZ LYS 63 1HZ LYS 63 -10.537 3.982 1.219 468 2HZ LYS 63 2HZ LYS 63 -11.898 3.158 1.643 469 3HZ LYS 63 3HZ LYS 63 -10.482 2.855 2.418 470 H ILE 64 H ILE 64 -5.928 -2.466 1.661 471 HA ILE 64 HA ILE 64 -4.870 -3.071 -0.817 472 HB ILE 64 HB ILE 64 -4.786 -4.081 1.925 473 1HG1 ILE 64 2HG1 ILE 64 -3.230 -2.442 0.892 474 2HG1 ILE 64 3HG1 ILE 64 -2.519 -3.817 1.726 475 1HG2 ILE 64 1HG2 ILE 64 -5.187 -6.223 1.170 476 2HG2 ILE 64 2HG2 ILE 64 -4.176 -6.012 -0.283 477 3HG2 ILE 64 3HG2 ILE 64 -3.442 -6.081 1.337 478 1HD1 ILE 64 1HD1 ILE 64 -2.163 -4.972 -0.436 479 2HD1 ILE 64 2HD1 ILE 64 -2.790 -3.549 -1.289 480 3HD1 ILE 64 3HD1 ILE 64 -1.305 -3.423 -0.313 481 H GLU 65 H GLU 65 -7.211 -4.939 1.212 482 HA GLU 65 HA GLU 65 -7.883 -6.948 -0.682 483 1HB GLU 65 2HB GLU 65 -9.274 -5.794 1.761 484 2HB GLU 65 3HB GLU 65 -10.012 -7.073 0.801 485 1HG GLU 65 2HG GLU 65 -7.187 -7.383 1.828 486 2HG GLU 65 3HG GLU 65 -8.576 -7.728 2.861 487 H LYS 66 H LYS 66 -9.646 -3.917 0.164 488 HA LYS 66 HA LYS 66 -11.728 -4.321 -1.661 489 1HB LYS 66 2HB LYS 66 -10.727 -2.064 -0.043 490 2HB LYS 66 3HB LYS 66 -11.459 -1.510 -1.546 491 1HG LYS 66 2HG LYS 66 -12.766 -3.436 0.412 492 2HG LYS 66 3HG LYS 66 -13.075 -1.702 0.358 493 1HD LYS 66 2HD LYS 66 -14.503 -1.874 -1.389 494 2HD LYS 66 3HD LYS 66 -13.338 -2.788 -2.341 495 1HE LYS 66 2HE LYS 66 -14.009 -4.861 -0.948 496 2HE LYS 66 3HE LYS 66 -15.352 -3.884 -0.333 497 1HZ LYS 66 1HZ LYS 66 -14.810 -4.567 -3.154 498 2HZ LYS 66 2HZ LYS 66 -15.993 -5.208 -2.211 499 3HZ LYS 66 3HZ LYS 66 -16.062 -3.622 -2.647 500 H LEU 67 H LEU 67 -8.586 -2.843 -2.268 501 HA LEU 67 HA LEU 67 -9.166 -2.029 -4.982 502 1HB LEU 67 2HB LEU 67 -6.640 -2.388 -3.340 503 2HB LEU 67 3HB LEU 67 -6.585 -1.891 -5.032 504 HG LEU 67 HG LEU 67 -8.407 -0.380 -3.138 505 1HD1 LEU 67 1HD1 LEU 67 -6.454 -0.174 -1.856 506 2HD1 LEU 67 2HD1 LEU 67 -5.401 -0.194 -3.257 507 3HD1 LEU 67 3HD1 LEU 67 -6.401 1.234 -2.912 508 1HD2 LEU 67 1HD2 LEU 67 -8.002 1.442 -4.688 509 2HD2 LEU 67 2HD2 LEU 67 -6.781 0.500 -5.565 510 3HD2 LEU 67 3HD2 LEU 67 -8.485 0.023 -5.620 511 H GLY 68 H GLY 68 -8.570 -5.110 -3.555 512 1HA GLY 68 2HA GLY 68 -8.876 -7.109 -4.644 513 2HA GLY 68 3HA GLY 68 -8.615 -6.348 -6.219 514 H TYR 69 H TYR 69 -6.528 -6.229 -3.253 515 HA TYR 69 HA TYR 69 -4.453 -7.851 -4.663 516 1HB TYR 69 2HB TYR 69 -4.417 -5.027 -4.073 517 2HB TYR 69 3HB TYR 69 -3.275 -5.805 -3.004 518 HD1 TYR 69 HD1 TYR 69 -4.356 -5.686 -6.586 519 HD2 TYR 69 HD2 TYR 69 -1.155 -6.553 -3.833 520 HE1 TYR 69 HE1 TYR 69 -2.748 -5.519 -8.419 521 HE2 TYR 69 HE2 TYR 69 0.466 -6.347 -5.647 522 HH TYR 69 HH TYR 69 0.766 -5.999 -7.942 523 H HIS 70 H HIS 70 -2.654 -8.368 -2.980 524 HA HIS 70 HA HIS 70 -3.666 -8.418 -0.231 525 1HB HIS 70 2HB HIS 70 -4.280 -10.602 -1.329 526 2HB HIS 70 3HB HIS 70 -2.553 -10.917 -1.553 527 HD1 HIS 70 1HD HIS 70 -3.916 -9.401 1.733 528 HD2 HIS 70 2HD HIS 70 -2.809 -13.099 0.066 529 HE1 HIS 70 1HE HIS 70 -3.681 -11.029 3.673 530 H VAL 71 H VAL 71 -2.045 -8.382 1.292 531 HA VAL 71 HA VAL 71 0.633 -7.539 0.338 532 HB VAL 71 HB VAL 71 -0.815 -5.743 1.157 533 1HG1 VAL 71 1HG1 VAL 71 -2.113 -7.098 2.889 534 2HG1 VAL 71 2HG1 VAL 71 -0.657 -7.069 3.897 535 3HG1 VAL 71 3HG1 VAL 71 -1.477 -5.553 3.469 536 1HG2 VAL 71 1HG2 VAL 71 0.702 -4.739 2.750 537 2HG2 VAL 71 2HG2 VAL 71 1.576 -6.272 2.942 538 3HG2 VAL 71 3HG2 VAL 71 1.544 -5.437 1.364 539 H VAL 72 H VAL 72 2.405 -8.198 1.717 540 HA VAL 72 HA VAL 72 1.829 -10.366 3.663 541 HB VAL 72 HB VAL 72 3.961 -10.576 1.594 542 1HG1 VAL 72 1HG1 VAL 72 4.398 -11.857 3.663 543 2HG1 VAL 72 2HG1 VAL 72 2.786 -12.600 3.546 544 3HG1 VAL 72 3HG1 VAL 72 4.028 -12.950 2.330 545 1HG2 VAL 72 1HG2 VAL 72 1.183 -11.823 1.601 546 2HG2 VAL 72 2HG2 VAL 72 1.891 -10.774 0.346 547 3HG2 VAL 72 3HG2 VAL 72 2.530 -12.403 0.605 548 H ILE 73 H ILE 73 3.303 -10.423 5.359 549 HA ILE 73 HA ILE 73 5.387 -8.321 5.446 550 HB ILE 73 HB ILE 73 3.441 -9.112 7.610 551 1HG1 ILE 73 2HG1 ILE 73 3.269 -6.440 7.367 552 2HG1 ILE 73 3HG1 ILE 73 3.786 -6.777 5.726 553 1HG2 ILE 73 1HG2 ILE 73 5.649 -8.674 8.640 554 2HG2 ILE 73 2HG2 ILE 73 5.797 -7.181 7.687 555 3HG2 ILE 73 3HG2 ILE 73 4.541 -7.344 8.939 556 1HD1 ILE 73 1HD1 ILE 73 1.393 -6.674 5.825 557 2HD1 ILE 73 2HD1 ILE 73 1.811 -8.386 5.613 558 3HD1 ILE 73 3HD1 ILE 73 1.351 -7.785 7.221 559 H GLU 74 H GLU 74 6.817 -10.117 4.632 560 HA GLU 74 HA GLU 74 7.482 -12.183 6.425 561 1HB GLU 74 2HB GLU 74 8.511 -11.196 3.786 562 2HB GLU 74 3HB GLU 74 9.543 -12.197 4.797 563 1HG GLU 74 2HG GLU 74 7.896 -13.977 4.893 564 2HG GLU 74 3HG GLU 74 6.766 -13.031 3.904 565 H GLY 75 H GLY 75 7.890 -9.050 6.775 566 1HA GLY 75 2HA GLY 75 10.756 -8.910 7.458 567 2HA GLY 75 3HA GLY 75 9.596 -7.578 7.388 568 H ARG 76 H ARG 76 7.668 -9.073 9.183 569 HA ARG 76 HA ARG 76 8.932 -8.193 11.697 570 1HB ARG 76 2HB ARG 76 6.755 -7.047 10.743 571 2HB ARG 76 3HB ARG 76 5.965 -8.537 11.299 572 1HG ARG 76 2HG ARG 76 7.225 -8.087 13.549 573 2HG ARG 76 3HG ARG 76 7.521 -6.470 12.902 574 1HD ARG 76 2HD ARG 76 4.992 -6.184 12.703 575 2HD ARG 76 3HD ARG 76 4.817 -7.821 13.325 576 HE ARG 76 HE ARG 76 5.296 -7.186 15.453 577 1HH1 ARG 76 2HH2 ARG 76 6.107 -4.532 13.296 578 2HH1 ARG 76 1HH2 ARG 76 6.447 -3.377 14.549 579 1HH2 ARG 76 2HH1 ARG 76 5.830 -5.726 17.164 580 2HH2 ARG 76 1HH1 ARG 76 6.305 -4.097 16.815 Start of MODEL 7 1 1H MET 1 H1 MET 1 -4.595 17.614 16.010 2 2H MET 1 H2 MET 1 -5.226 18.618 17.163 3 3H MET 1 H3 MET 1 -4.472 19.245 15.832 4 HA MET 1 HA MET 1 -3.064 19.440 17.714 5 1HB MET 1 2HB MET 1 -3.429 16.420 17.810 6 2HB MET 1 3HB MET 1 -2.027 17.237 18.523 7 1HG MET 1 2HG MET 1 -3.458 18.596 19.946 8 2HG MET 1 3HG MET 1 -4.909 17.826 19.281 9 1HE MET 1 1HE MET 1 -5.656 17.425 21.810 10 2HE MET 1 2HE MET 1 -4.671 16.521 22.982 11 3HE MET 1 3HE MET 1 -4.125 18.113 22.410 12 H LEU 2 H LEU 2 -1.935 16.392 16.202 13 HA LEU 2 HA LEU 2 -0.700 17.780 13.983 14 1HB LEU 2 2HB LEU 2 1.540 17.297 14.512 15 2HB LEU 2 3HB LEU 2 0.909 18.133 15.926 16 HG LEU 2 HG LEU 2 1.337 15.105 15.668 17 1HD1 LEU 2 1HD1 LEU 2 3.427 16.406 15.687 18 2HD1 LEU 2 2HD1 LEU 2 2.922 17.194 17.200 19 3HD1 LEU 2 3HD1 LEU 2 3.226 15.443 17.158 20 1HD2 LEU 2 1HD2 LEU 2 1.072 15.135 18.173 21 2HD2 LEU 2 2HD2 LEU 2 0.478 16.804 18.054 22 3HD2 LEU 2 3HD2 LEU 2 -0.427 15.460 17.311 23 H SER 3 H SER 3 0.467 16.101 12.626 24 HA SER 3 HA SER 3 -0.338 13.299 13.167 25 1HB SER 3 2HB SER 3 -0.252 14.402 10.318 26 2HB SER 3 3HB SER 3 -0.884 12.884 10.901 27 HG SER 3 HG SER 3 -1.945 15.446 11.540 28 H GLU 4 H GLU 4 1.641 12.298 13.525 29 HA GLU 4 HA GLU 4 4.106 13.277 12.258 30 1HB GLU 4 2HB GLU 4 3.384 11.201 14.240 31 2HB GLU 4 3HB GLU 4 4.672 10.765 13.137 32 1HG GLU 4 2HG GLU 4 5.689 13.014 13.763 33 2HG GLU 4 3HG GLU 4 4.563 12.968 15.123 34 H GLN 5 H GLN 5 5.264 11.389 10.965 35 HA GLN 5 HA GLN 5 3.335 9.883 9.276 36 1HB GLN 5 2HB GLN 5 5.704 11.497 8.277 37 2HB GLN 5 3HB GLN 5 4.808 10.262 7.378 38 1HG GLN 5 2HG GLN 5 2.813 12.048 8.274 39 2HG GLN 5 3HG GLN 5 4.153 13.083 7.794 40 1HE2 GLN 5 1HE2 GLN 5 2.203 10.338 6.698 41 2HE2 GLN 5 2HE2 GLN 5 2.364 10.595 4.996 42 H LYS 6 H LYS 6 4.159 7.897 8.545 43 HA LYS 6 HA LYS 6 6.940 7.291 8.996 44 1HB LYS 6 2HB LYS 6 4.684 5.602 10.176 45 2HB LYS 6 3HB LYS 6 6.292 4.947 9.895 46 1HG LYS 6 2HG LYS 6 5.717 7.291 11.743 47 2HG LYS 6 3HG LYS 6 5.964 5.611 12.242 48 1HD LYS 6 2HD LYS 6 8.246 5.641 11.214 49 2HD LYS 6 3HD LYS 6 8.010 7.329 10.749 50 1HE LYS 6 2HE LYS 6 7.598 7.903 13.178 51 2HE LYS 6 3HE LYS 6 8.180 6.273 13.580 52 1HZ LYS 6 1HZ LYS 6 10.235 6.853 12.414 53 2HZ LYS 6 2HZ LYS 6 9.642 8.352 12.082 54 3HZ LYS 6 3HZ LYS 6 9.930 7.919 13.643 55 H GLU 7 H GLU 7 7.688 5.545 7.975 56 HA GLU 7 HA GLU 7 6.487 5.173 5.316 57 1HB GLU 7 2HB GLU 7 9.421 4.857 5.946 58 2HB GLU 7 3HB GLU 7 8.571 5.369 4.489 59 1HG GLU 7 2HG GLU 7 9.652 7.289 5.271 60 2HG GLU 7 3HG GLU 7 8.011 7.537 5.876 61 H ILE 8 H ILE 8 5.388 3.171 5.670 62 HA ILE 8 HA ILE 8 6.767 1.053 7.131 63 HB ILE 8 HB ILE 8 4.220 0.911 5.627 64 1HG1 ILE 8 2HG1 ILE 8 3.750 2.815 6.933 65 2HG1 ILE 8 3HG1 ILE 8 2.928 1.395 7.589 66 1HG2 ILE 8 1HG2 ILE 8 5.431 -0.552 7.926 67 2HG2 ILE 8 2HG2 ILE 8 3.716 -0.746 7.462 68 3HG2 ILE 8 3HG2 ILE 8 4.999 -1.181 6.317 69 1HD1 ILE 8 1HD1 ILE 8 3.935 2.729 9.364 70 2HD1 ILE 8 2HD1 ILE 8 4.650 1.097 9.250 71 3HD1 ILE 8 3HD1 ILE 8 5.535 2.500 8.598 72 H ALA 9 H ALA 9 7.112 -1.045 6.038 73 HA ALA 9 HA ALA 9 7.345 -0.988 3.102 74 1HB ALA 9 1HB ALA 9 9.484 -2.173 3.214 75 2HB ALA 9 2HB ALA 9 9.644 -0.603 4.029 76 3HB ALA 9 3HB ALA 9 9.478 -2.085 4.989 77 H MET 10 H MET 10 6.559 -2.964 2.251 78 HA MET 10 HA MET 10 6.686 -5.371 3.822 79 1HB MET 10 2HB MET 10 4.391 -5.968 3.892 80 2HB MET 10 3HB MET 10 4.646 -4.527 4.856 81 1HG MET 10 2HG MET 10 3.557 -4.475 2.020 82 2HG MET 10 3HG MET 10 2.531 -4.696 3.420 83 1HE MET 10 1HE MET 10 2.351 -1.363 5.209 84 2HE MET 10 2HE MET 10 1.611 -2.959 4.952 85 3HE MET 10 3HE MET 10 3.241 -2.839 5.658 86 H GLN 11 H GLN 11 5.373 -7.171 2.468 87 HA GLN 11 HA GLN 11 6.507 -6.954 -0.276 88 1HB GLN 11 2HB GLN 11 5.803 -9.243 1.616 89 2HB GLN 11 3HB GLN 11 6.127 -9.526 -0.093 90 1HG GLN 11 2HG GLN 11 8.035 -8.249 1.932 91 2HG GLN 11 3HG GLN 11 8.129 -9.907 1.314 92 1HE2 GLN 11 1HE2 GLN 11 8.031 -10.031 -1.213 93 2HE2 GLN 11 2HE2 GLN 11 8.744 -8.692 -2.105 94 H VAL 12 H VAL 12 5.238 -8.168 -1.984 95 HA VAL 12 HA VAL 12 2.327 -7.536 -1.753 96 HB VAL 12 HB VAL 12 4.130 -6.971 -4.135 97 1HG1 VAL 12 1HG1 VAL 12 1.219 -6.264 -3.538 98 2HG1 VAL 12 2HG1 VAL 12 2.143 -5.718 -4.951 99 3HG1 VAL 12 3HG1 VAL 12 1.781 -7.436 -4.749 100 1HG2 VAL 12 1HG2 VAL 12 3.712 -4.565 -3.592 101 2HG2 VAL 12 2HG2 VAL 12 2.976 -5.068 -2.058 102 3HG2 VAL 12 3HG2 VAL 12 4.704 -5.378 -2.379 103 H SER 13 H SER 13 1.005 -9.149 -2.451 104 HA SER 13 HA SER 13 2.056 -11.238 -4.308 105 1HB SER 13 2HB SER 13 0.151 -11.483 -1.942 106 2HB SER 13 3HB SER 13 0.262 -12.703 -3.223 107 HG SER 13 HG SER 13 1.670 -13.148 -1.457 108 H GLY 14 H GLY 14 0.028 -12.272 -5.439 109 1HA GLY 14 2HA GLY 14 -1.952 -12.052 -6.606 110 2HA GLY 14 3HA GLY 14 -2.228 -10.455 -5.901 111 H MET 15 H MET 15 0.091 -9.115 -6.598 112 HA MET 15 HA MET 15 -0.252 -8.134 -9.105 113 1HB MET 15 2HB MET 15 2.010 -7.241 -8.992 114 2HB MET 15 3HB MET 15 1.253 -7.192 -7.409 115 1HG MET 15 2HG MET 15 3.322 -7.935 -6.837 116 2HG MET 15 3HG MET 15 2.502 -9.486 -7.009 117 1HE MET 15 1HE MET 15 4.857 -10.685 -7.051 118 2HE MET 15 2HE MET 15 6.201 -10.169 -8.098 119 3HE MET 15 3HE MET 15 5.603 -9.087 -6.817 120 H THR 16 H THR 16 0.383 -8.470 -11.147 121 HA THR 16 HA THR 16 2.373 -10.497 -11.855 122 HB THR 16 HB THR 16 0.622 -11.221 -13.752 123 HG1 THR 16 1HG THR 16 -1.001 -10.835 -11.454 124 1HG2 THR 16 1HG2 THR 16 0.110 -13.236 -12.484 125 2HG2 THR 16 2HG2 THR 16 1.807 -12.780 -12.259 126 3HG2 THR 16 3HG2 THR 16 0.624 -12.474 -10.971 127 H CYS 17 H CYS 17 0.007 -8.020 -13.084 128 HA CYS 17 HA CYS 17 1.558 -7.572 -15.473 129 1HB CYS 17 2HB CYS 17 0.102 -5.574 -15.699 130 2HB CYS 17 3HB CYS 17 -0.812 -7.071 -15.426 131 H ALA 18 H ALA 18 2.049 -6.584 -12.221 132 HA ALA 18 HA ALA 18 3.478 -5.182 -11.187 133 1HB ALA 18 1HB ALA 18 5.042 -5.206 -13.799 134 2HB ALA 18 2HB ALA 18 5.657 -4.810 -12.186 135 3HB ALA 18 3HB ALA 18 5.118 -6.460 -12.545 136 H ALA 19 H ALA 19 1.205 -4.051 -12.701 137 HA ALA 19 HA ALA 19 2.115 -1.193 -12.817 138 1HB ALA 19 1HB ALA 19 0.123 -2.594 -14.648 139 2HB ALA 19 2HB ALA 19 0.509 -0.856 -14.645 140 3HB ALA 19 3HB ALA 19 1.755 -2.042 -15.084 141 H CYS 20 H CYS 20 -0.824 -3.263 -12.583 142 HA CYS 20 HA CYS 20 -2.515 -1.571 -11.186 143 1HB CYS 20 2HB CYS 20 -2.121 -4.587 -11.220 144 2HB CYS 20 3HB CYS 20 -3.390 -3.868 -10.261 145 H ALA 21 H ALA 21 0.260 -3.365 -9.894 146 HA ALA 21 HA ALA 21 -0.221 -3.026 -7.149 147 1HB ALA 21 1HB ALA 21 2.480 -2.829 -8.527 148 2HB ALA 21 2HB ALA 21 2.125 -3.384 -6.870 149 3HB ALA 21 3HB ALA 21 1.613 -4.360 -8.245 150 H ALA 22 H ALA 22 0.602 -0.562 -9.568 151 HA ALA 22 HA ALA 22 1.248 1.501 -7.594 152 1HB ALA 22 1HB ALA 22 2.020 1.519 -10.010 153 2HB ALA 22 2HB ALA 22 0.335 1.862 -10.469 154 3HB ALA 22 3HB ALA 22 1.226 3.004 -9.445 155 H ARG 23 H ARG 23 -1.656 0.356 -9.349 156 HA ARG 23 HA ARG 23 -3.328 2.582 -8.733 157 1HB ARG 23 2HB ARG 23 -4.051 -0.346 -9.231 158 2HB ARG 23 3HB ARG 23 -5.211 0.954 -8.967 159 1HG ARG 23 2HG ARG 23 -4.329 2.198 -10.880 160 2HG ARG 23 3HG ARG 23 -3.177 0.894 -11.232 161 1HD ARG 23 2HD ARG 23 -4.833 -0.487 -12.129 162 2HD ARG 23 3HD ARG 23 -5.990 -0.031 -10.900 163 HE ARG 23 HE ARG 23 -6.926 1.511 -12.220 164 1HH1 ARG 23 2HH2 ARG 23 -3.756 0.777 -13.522 165 2HH1 ARG 23 1HH2 ARG 23 -3.881 1.807 -14.918 166 1HH2 ARG 23 2HH1 ARG 23 -7.161 2.927 -14.032 167 2HH2 ARG 23 1HH1 ARG 23 -5.894 3.068 -15.206 168 H ILE 24 H ILE 24 -2.659 -0.475 -6.942 169 HA ILE 24 HA ILE 24 -4.548 0.127 -4.941 170 HB ILE 24 HB ILE 24 -3.748 -1.536 -3.588 171 1HG1 ILE 24 2HG1 ILE 24 -1.177 -1.243 -5.046 172 2HG1 ILE 24 3HG1 ILE 24 -1.518 -1.108 -3.309 173 1HG2 ILE 24 1HG2 ILE 24 -3.931 -3.351 -5.036 174 2HG2 ILE 24 2HG2 ILE 24 -4.749 -2.065 -5.918 175 3HG2 ILE 24 3HG2 ILE 24 -3.101 -2.539 -6.383 176 1HD1 ILE 24 1HD1 ILE 24 -2.012 -3.594 -3.317 177 2HD1 ILE 24 2HD1 ILE 24 -1.398 -3.609 -4.994 178 3HD1 ILE 24 3HD1 ILE 24 -0.323 -3.156 -3.664 179 H GLU 25 H GLU 25 -0.998 0.719 -4.722 180 HA GLU 25 HA GLU 25 -1.047 2.234 -2.378 181 1HB GLU 25 2HB GLU 25 0.780 2.040 -4.750 182 2HB GLU 25 3HB GLU 25 0.970 3.463 -3.711 183 1HG GLU 25 2HG GLU 25 2.427 1.587 -3.002 184 2HG GLU 25 3HG GLU 25 1.304 2.087 -1.737 185 H LYS 26 H LYS 26 -1.794 3.360 -5.672 186 HA LYS 26 HA LYS 26 -1.717 6.168 -4.841 187 1HB LYS 26 2HB LYS 26 -2.446 4.770 -7.412 188 2HB LYS 26 3HB LYS 26 -2.969 6.429 -7.117 189 1HG LYS 26 2HG LYS 26 -0.911 6.576 -8.291 190 2HG LYS 26 3HG LYS 26 -0.619 7.120 -6.630 191 1HD LYS 26 2HD LYS 26 0.443 5.002 -6.082 192 2HD LYS 26 3HD LYS 26 0.069 4.397 -7.712 193 1HE LYS 26 2HE LYS 26 1.514 5.915 -8.798 194 2HE LYS 26 3HE LYS 26 1.685 6.938 -7.362 195 1HZ LYS 26 1HZ LYS 26 3.608 5.556 -7.775 196 2HZ LYS 26 2HZ LYS 26 2.936 5.258 -6.304 197 3HZ LYS 26 3HZ LYS 26 2.715 4.192 -7.551 198 H GLY 27 H GLY 27 -4.325 3.790 -5.509 199 1HA GLY 27 2HA GLY 27 -6.541 5.461 -4.824 200 2HA GLY 27 3HA GLY 27 -6.473 3.689 -4.725 201 H LEU 28 H LEU 28 -4.385 3.335 -2.923 202 HA LEU 28 HA LEU 28 -5.745 3.606 -0.441 203 1HB LEU 28 2HB LEU 28 -4.294 1.774 -0.941 204 2HB LEU 28 3HB LEU 28 -2.895 2.829 -1.132 205 HG LEU 28 HG LEU 28 -3.158 1.394 0.979 206 1HD1 LEU 28 1HD1 LEU 28 -2.437 4.335 1.049 207 2HD1 LEU 28 2HD1 LEU 28 -2.070 3.218 2.357 208 3HD1 LEU 28 3HD1 LEU 28 -1.379 2.954 0.746 209 1HD2 LEU 28 1HD2 LEU 28 -4.373 2.355 2.853 210 2HD2 LEU 28 2HD2 LEU 28 -4.977 3.670 1.878 211 3HD2 LEU 28 3HD2 LEU 28 -5.486 2.007 1.522 212 H LYS 29 H LYS 29 -2.990 5.468 -1.877 213 HA LYS 29 HA LYS 29 -2.589 7.239 0.232 214 1HB LYS 29 2HB LYS 29 -1.254 7.159 -1.889 215 2HB LYS 29 3HB LYS 29 -2.574 8.019 -2.693 216 1HG LYS 29 2HG LYS 29 -2.040 9.535 -0.329 217 2HG LYS 29 3HG LYS 29 -0.490 8.990 -0.850 218 1HD LYS 29 2HD LYS 29 -2.432 10.290 -2.823 219 2HD LYS 29 3HD LYS 29 -1.509 11.265 -1.668 220 1HE LYS 29 2HE LYS 29 0.593 10.297 -2.455 221 2HE LYS 29 3HE LYS 29 -0.231 9.347 -3.690 222 1HZ LYS 29 1HZ LYS 29 0.848 11.419 -4.359 223 2HZ LYS 29 2HZ LYS 29 -0.775 11.459 -4.715 224 3HZ LYS 29 3HZ LYS 29 -0.162 12.292 -3.417 225 H ARG 30 H ARG 30 -5.367 7.034 -1.923 226 HA ARG 30 HA ARG 30 -6.189 9.733 -1.396 227 1HB ARG 30 2HB ARG 30 -6.693 7.885 -3.372 228 2HB ARG 30 3HB ARG 30 -8.167 7.727 -2.430 229 1HG ARG 30 2HG ARG 30 -7.494 10.559 -2.803 230 2HG ARG 30 3HG ARG 30 -7.357 9.740 -4.343 231 1HD ARG 30 2HD ARG 30 -9.607 9.181 -4.434 232 2HD ARG 30 3HD ARG 30 -9.840 9.199 -2.688 233 HE ARG 30 HE ARG 30 -10.057 11.437 -4.506 234 1HH1 ARG 30 2HH2 ARG 30 -9.231 10.541 -1.119 235 2HH1 ARG 30 1HH2 ARG 30 -9.629 12.100 -0.496 236 1HH2 ARG 30 2HH1 ARG 30 -10.474 13.530 -3.648 237 2HH2 ARG 30 1HH1 ARG 30 -10.312 13.846 -1.953 238 H MET 31 H MET 31 -6.143 7.208 0.707 239 HA MET 31 HA MET 31 -8.758 7.547 1.978 240 1HB MET 31 2HB MET 31 -6.277 5.910 2.688 241 2HB MET 31 3HB MET 31 -7.816 5.756 3.497 242 1HG MET 31 2HG MET 31 -7.315 5.172 0.551 243 2HG MET 31 3HG MET 31 -7.455 3.994 1.836 244 1HE MET 31 1HE MET 31 -10.064 5.146 3.518 245 2HE MET 31 2HE MET 31 -11.264 4.137 2.708 246 3HE MET 31 3HE MET 31 -9.669 3.466 3.133 247 HA PRO 32 HA PRO 32 -7.354 10.503 5.008 248 1HB PRO 32 2HB PRO 32 -8.607 9.703 7.324 249 2HB PRO 32 3HB PRO 32 -9.471 10.466 5.957 250 1HG PRO 32 2HG PRO 32 -9.189 7.507 6.536 251 2HG PRO 32 3HG PRO 32 -10.694 8.409 6.190 252 1HD PRO 32 2HD PRO 32 -9.406 7.061 4.261 253 2HD PRO 32 3HD PRO 32 -10.099 8.659 3.881 254 H GLY 33 H GLY 33 -5.542 10.661 6.289 255 1HA GLY 33 2HA GLY 33 -4.021 9.946 7.933 256 2HA GLY 33 3HA GLY 33 -4.471 8.255 7.666 257 H VAL 34 H VAL 34 -4.253 8.610 4.597 258 HA VAL 34 HA VAL 34 -1.321 8.152 4.631 259 HB VAL 34 HB VAL 34 -3.267 7.582 2.397 260 1HG1 VAL 34 1HG1 VAL 34 -0.911 7.776 1.697 261 2HG1 VAL 34 2HG1 VAL 34 -0.376 6.773 3.045 262 3HG1 VAL 34 3HG1 VAL 34 -1.317 6.059 1.740 263 1HG2 VAL 34 1HG2 VAL 34 -2.275 5.739 4.615 264 2HG2 VAL 34 2HG2 VAL 34 -3.952 6.246 4.335 265 3HG2 VAL 34 3HG2 VAL 34 -3.144 5.221 3.158 266 H THR 35 H THR 35 0.102 9.419 3.484 267 HA THR 35 HA THR 35 -1.054 11.778 2.055 268 HB THR 35 HB THR 35 0.822 11.655 4.296 269 HG1 THR 35 1HG THR 35 -0.851 13.633 3.180 270 1HG2 THR 35 1HG2 THR 35 1.356 13.546 1.970 271 2HG2 THR 35 2HG2 THR 35 1.980 13.724 3.627 272 3HG2 THR 35 3HG2 THR 35 2.474 12.333 2.655 273 H ASP 36 H ASP 36 1.703 9.367 2.062 274 HA ASP 36 HA ASP 36 1.540 9.620 -0.795 275 1HB ASP 36 2HB ASP 36 3.814 10.826 0.564 276 2HB ASP 36 3HB ASP 36 4.318 9.514 -0.507 277 H ALA 37 H ALA 37 2.765 7.995 -1.927 278 HA ALA 37 HA ALA 37 3.198 5.523 -0.481 279 1HB ALA 37 1HB ALA 37 0.689 5.668 -0.490 280 2HB ALA 37 2HB ALA 37 0.736 5.690 -2.267 281 3HB ALA 37 3HB ALA 37 1.313 4.267 -1.371 282 H ASN 38 H ASN 38 4.313 3.934 -1.692 283 HA ASN 38 HA ASN 38 5.064 4.679 -4.461 284 1HB ASN 38 2HB ASN 38 7.532 4.365 -3.123 285 2HB ASN 38 3HB ASN 38 6.870 5.804 -3.869 286 1HD2 ASN 38 1HD2 ASN 38 6.166 4.102 -0.747 287 2HD2 ASN 38 2HD2 ASN 38 6.486 5.535 0.232 288 H VAL 39 H VAL 39 4.485 2.713 -5.247 289 HA VAL 39 HA VAL 39 5.134 0.303 -3.788 290 HB VAL 39 HB VAL 39 3.100 0.487 -5.003 291 1HG1 VAL 39 1HG1 VAL 39 4.725 0.664 -7.589 292 2HG1 VAL 39 2HG1 VAL 39 3.040 0.257 -7.470 293 3HG1 VAL 39 3HG1 VAL 39 3.587 1.858 -6.934 294 1HG2 VAL 39 1HG2 VAL 39 3.094 -1.666 -5.945 295 2HG2 VAL 39 2HG2 VAL 39 4.826 -1.585 -6.330 296 3HG2 VAL 39 3HG2 VAL 39 4.280 -1.707 -4.636 297 H ASN 40 H ASN 40 7.235 -0.420 -3.646 298 HA ASN 40 HA ASN 40 9.162 0.189 -5.803 299 1HB ASN 40 2HB ASN 40 9.761 0.553 -3.435 300 2HB ASN 40 3HB ASN 40 9.529 -1.173 -3.114 301 1HD2 ASN 40 1HD2 ASN 40 11.887 -0.795 -2.375 302 2HD2 ASN 40 2HD2 ASN 40 13.115 -1.022 -3.606 303 H LEU 41 H LEU 41 7.364 -1.251 -6.954 304 HA LEU 41 HA LEU 41 7.841 -4.136 -6.788 305 1HB LEU 41 2HB LEU 41 5.957 -2.346 -8.108 306 2HB LEU 41 3HB LEU 41 6.624 -3.447 -9.284 307 HG LEU 41 HG LEU 41 4.514 -4.189 -8.150 308 1HD1 LEU 41 1HD1 LEU 41 6.935 -6.029 -7.996 309 2HD1 LEU 41 2HD1 LEU 41 5.241 -6.547 -7.921 310 3HD1 LEU 41 3HD1 LEU 41 5.865 -5.773 -9.391 311 1HD2 LEU 41 1HD2 LEU 41 5.501 -3.565 -5.734 312 2HD2 LEU 41 2HD2 LEU 41 4.370 -4.909 -5.968 313 3HD2 LEU 41 3HD2 LEU 41 6.102 -5.219 -5.804 314 H ALA 42 H ALA 42 9.386 -1.485 -8.283 315 HA ALA 42 HA ALA 42 10.833 -2.570 -10.389 316 1HB ALA 42 1HB ALA 42 12.647 -1.065 -9.710 317 2HB ALA 42 2HB ALA 42 11.077 -0.244 -9.563 318 3HB ALA 42 3HB ALA 42 11.910 -0.857 -8.112 319 H THR 43 H THR 43 11.220 -3.212 -6.882 320 HA THR 43 HA THR 43 13.040 -5.443 -7.644 321 HB THR 43 HB THR 43 14.059 -4.019 -6.035 322 HG1 THR 43 1HG THR 43 14.340 -6.336 -6.071 323 1HG2 THR 43 1HG2 THR 43 11.995 -3.286 -4.760 324 2HG2 THR 43 2HG2 THR 43 12.021 -4.873 -3.948 325 3HG2 THR 43 3HG2 THR 43 13.386 -3.771 -3.778 326 H GLU 44 H GLU 44 10.426 -4.901 -5.266 327 HA GLU 44 HA GLU 44 8.398 -6.490 -6.004 328 1HB GLU 44 2HB GLU 44 10.680 -8.294 -5.371 329 2HB GLU 44 3HB GLU 44 9.232 -8.691 -4.504 330 1HG GLU 44 2HG GLU 44 7.880 -8.784 -6.505 331 2HG GLU 44 3HG GLU 44 9.294 -8.466 -7.516 332 H THR 45 H THR 45 8.790 -4.286 -4.338 333 HA THR 45 HA THR 45 7.789 -5.214 -1.692 334 HB THR 45 HB THR 45 10.148 -3.398 -2.374 335 HG1 THR 45 1HG THR 45 9.922 -5.939 -1.129 336 1HG2 THR 45 1HG2 THR 45 10.522 -3.250 0.060 337 2HG2 THR 45 2HG2 THR 45 9.053 -2.420 -0.472 338 3HG2 THR 45 3HG2 THR 45 8.938 -4.010 0.337 339 H VAL 46 H VAL 46 6.728 -3.383 -0.500 340 HA VAL 46 HA VAL 46 5.941 -1.089 -2.255 341 HB VAL 46 HB VAL 46 4.014 -2.463 -2.238 342 1HG1 VAL 46 1HG1 VAL 46 2.952 -3.246 -0.094 343 2HG1 VAL 46 2HG1 VAL 46 4.476 -4.053 -0.461 344 3HG1 VAL 46 3HG1 VAL 46 4.437 -2.760 0.752 345 1HG2 VAL 46 1HG2 VAL 46 3.586 -0.077 -1.753 346 2HG2 VAL 46 2HG2 VAL 46 2.386 -1.164 -1.012 347 3HG2 VAL 46 3HG2 VAL 46 3.619 -0.417 -0.004 348 H ASN 47 H ASN 47 5.834 0.977 -1.198 349 HA ASN 47 HA ASN 47 6.410 0.949 1.689 350 1HB ASN 47 2HB ASN 47 7.790 2.546 -0.509 351 2HB ASN 47 3HB ASN 47 7.607 3.220 1.113 352 1HD2 ASN 47 1HD2 ASN 47 8.284 1.656 2.972 353 2HD2 ASN 47 2HD2 ASN 47 9.919 1.070 2.716 354 H VAL 48 H VAL 48 5.261 2.655 2.825 355 HA VAL 48 HA VAL 48 3.409 4.248 1.209 356 HB VAL 48 HB VAL 48 2.193 2.185 1.509 357 1HG1 VAL 48 1HG1 VAL 48 1.527 1.345 3.708 358 2HG1 VAL 48 2HG1 VAL 48 3.275 1.244 3.476 359 3HG1 VAL 48 3HG1 VAL 48 2.588 2.518 4.507 360 1HG2 VAL 48 1HG2 VAL 48 0.885 4.166 1.463 361 2HG2 VAL 48 2HG2 VAL 48 0.222 3.130 2.738 362 3HG2 VAL 48 3HG2 VAL 48 1.213 4.542 3.158 363 H ILE 49 H ILE 49 3.254 6.218 2.035 364 HA ILE 49 HA ILE 49 4.743 6.767 4.499 365 HB ILE 49 HB ILE 49 4.037 8.711 2.247 366 1HG1 ILE 49 2HG1 ILE 49 5.379 7.042 1.189 367 2HG1 ILE 49 3HG1 ILE 49 6.350 8.485 1.463 368 1HG2 ILE 49 1HG2 ILE 49 5.982 8.873 4.584 369 2HG2 ILE 49 2HG2 ILE 49 5.935 10.012 3.221 370 3HG2 ILE 49 3HG2 ILE 49 4.544 9.850 4.292 371 1HD1 ILE 49 1HD1 ILE 49 7.250 7.419 3.564 372 2HD1 ILE 49 2HD1 ILE 49 6.408 5.929 3.111 373 3HD1 ILE 49 3HD1 ILE 49 7.693 6.564 2.063 374 H TYR 50 H TYR 50 3.103 6.571 6.046 375 HA TYR 50 HA TYR 50 0.690 8.284 5.685 376 1HB TYR 50 2HB TYR 50 -0.783 6.623 6.443 377 2HB TYR 50 3HB TYR 50 0.067 6.014 5.059 378 HD1 TYR 50 HD1 TYR 50 0.603 3.752 5.138 379 HD2 TYR 50 HD2 TYR 50 0.222 5.882 8.857 380 HE1 TYR 50 HE1 TYR 50 0.663 1.629 6.370 381 HE2 TYR 50 HE2 TYR 50 0.505 3.791 10.093 382 HH TYR 50 HH TYR 50 0.877 0.668 8.487 383 H ASP 51 H ASP 51 -0.477 8.636 7.535 384 HA ASP 51 HA ASP 51 1.300 9.368 9.687 385 1HB ASP 51 2HB ASP 51 -1.604 10.086 9.286 386 2HB ASP 51 3HB ASP 51 -0.431 10.780 10.429 387 HA PRO 52 HA PRO 52 -0.168 5.673 11.784 388 1HB PRO 52 2HB PRO 52 1.627 5.477 13.804 389 2HB PRO 52 3HB PRO 52 2.070 5.216 12.093 390 1HG PRO 52 2HG PRO 52 2.341 7.796 13.673 391 2HG PRO 52 3HG PRO 52 3.621 6.941 12.763 392 1HD PRO 52 2HD PRO 52 2.218 8.968 11.663 393 2HD PRO 52 3HD PRO 52 2.647 7.535 10.680 394 H ALA 53 H ALA 53 -1.051 8.679 12.512 395 HA ALA 53 HA ALA 53 -2.096 8.220 15.236 396 1HB ALA 53 1HB ALA 53 -2.330 10.541 13.265 397 2HB ALA 53 2HB ALA 53 -3.054 10.478 14.883 398 3HB ALA 53 3HB ALA 53 -1.285 10.486 14.704 399 H GLU 54 H GLU 54 -2.844 8.190 11.745 400 HA GLU 54 HA GLU 54 -5.721 7.815 12.371 401 1HB GLU 54 2HB GLU 54 -4.292 9.526 10.460 402 2HB GLU 54 3HB GLU 54 -5.392 8.403 9.640 403 1HG GLU 54 2HG GLU 54 -6.640 10.347 10.027 404 2HG GLU 54 3HG GLU 54 -7.253 9.114 11.135 405 H THR 55 H THR 55 -3.105 6.810 10.113 406 HA THR 55 HA THR 55 -4.367 4.157 9.925 407 HB THR 55 HB THR 55 -2.434 3.831 8.091 408 HG1 THR 55 1HG THR 55 -3.205 6.476 7.817 409 1HG2 THR 55 1HG2 THR 55 -4.172 4.473 6.473 410 2HG2 THR 55 2HG2 THR 55 -4.803 3.526 7.847 411 3HG2 THR 55 3HG2 THR 55 -5.105 5.285 7.763 412 H GLY 56 H GLY 56 -2.205 2.606 9.597 413 1HA GLY 56 2HA GLY 56 -0.589 1.830 11.520 414 2HA GLY 56 3HA GLY 56 -2.019 2.232 12.499 415 H THR 57 H THR 57 -0.944 0.547 9.890 416 HA THR 57 HA THR 57 -1.616 -0.381 8.114 417 HB THR 57 HB THR 57 -1.366 -2.915 8.451 418 HG1 THR 57 1HG THR 57 -2.178 -3.013 10.584 419 1HG2 THR 57 1HG2 THR 57 0.738 -1.176 9.799 420 2HG2 THR 57 2HG2 THR 57 0.958 -2.802 9.141 421 3HG2 THR 57 3HG2 THR 57 0.602 -1.461 8.039 422 H ALA 58 H ALA 58 -3.936 -1.021 10.601 423 HA ALA 58 HA ALA 58 -5.998 -2.414 9.695 424 1HB ALA 58 1HB ALA 58 -7.379 -0.516 10.641 425 2HB ALA 58 2HB ALA 58 -5.964 -0.918 11.651 426 3HB ALA 58 3HB ALA 58 -5.904 0.493 10.593 427 H ALA 59 H ALA 59 -5.350 0.887 8.400 428 HA ALA 59 HA ALA 59 -7.832 0.560 6.812 429 1HB ALA 59 1HB ALA 59 -6.983 2.843 7.660 430 2HB ALA 59 2HB ALA 59 -5.917 2.786 6.209 431 3HB ALA 59 3HB ALA 59 -7.658 2.723 6.027 432 H ILE 60 H ILE 60 -4.381 0.564 6.263 433 HA ILE 60 HA ILE 60 -4.294 0.226 3.469 434 HB ILE 60 HB ILE 60 -2.455 -0.344 5.813 435 1HG1 ILE 60 2HG1 ILE 60 -0.957 1.073 4.308 436 2HG1 ILE 60 3HG1 ILE 60 -2.340 1.194 3.212 437 1HG2 ILE 60 1HG2 ILE 60 -2.052 -2.329 4.396 438 2HG2 ILE 60 2HG2 ILE 60 -1.779 -1.258 3.000 439 3HG2 ILE 60 3HG2 ILE 60 -0.702 -1.201 4.420 440 1HD1 ILE 60 1HD1 ILE 60 -2.240 2.098 6.157 441 2HD1 ILE 60 2HD1 ILE 60 -1.954 3.176 4.783 442 3HD1 ILE 60 3HD1 ILE 60 -3.555 2.465 5.012 443 H GLN 61 H GLN 61 -4.492 -2.279 6.059 444 HA GLN 61 HA GLN 61 -4.422 -4.407 4.120 445 1HB GLN 61 2HB GLN 61 -4.688 -4.199 7.026 446 2HB GLN 61 3HB GLN 61 -5.829 -5.348 6.329 447 1HG GLN 61 2HG GLN 61 -4.034 -6.689 6.800 448 2HG GLN 61 3HG GLN 61 -3.912 -6.428 5.062 449 1HE2 GLN 61 1HE2 GLN 61 -2.872 -3.493 6.193 450 2HE2 GLN 61 2HE2 GLN 61 -1.176 -3.884 6.414 451 H GLU 62 H GLU 62 -7.102 -2.731 5.849 452 HA GLU 62 HA GLU 62 -9.241 -4.197 4.832 453 1HB GLU 62 2HB GLU 62 -8.936 -1.804 6.342 454 2HB GLU 62 3HB GLU 62 -9.847 -1.304 4.924 455 1HG GLU 62 2HG GLU 62 -10.565 -3.587 6.804 456 2HG GLU 62 3HG GLU 62 -11.338 -1.997 6.746 457 H LYS 63 H LYS 63 -7.735 -1.240 3.380 458 HA LYS 63 HA LYS 63 -9.405 -1.402 1.100 459 1HB LYS 63 2HB LYS 63 -6.955 0.143 1.956 460 2HB LYS 63 3HB LYS 63 -7.515 0.247 0.320 461 1HG LYS 63 2HG LYS 63 -9.334 0.769 2.712 462 2HG LYS 63 3HG LYS 63 -8.307 1.992 1.967 463 1HD LYS 63 2HD LYS 63 -10.540 2.279 1.188 464 2HD LYS 63 3HD LYS 63 -9.491 1.841 -0.162 465 1HE LYS 63 2HE LYS 63 -10.527 -0.301 -0.350 466 2HE LYS 63 3HE LYS 63 -11.247 -0.197 1.290 467 1HZ LYS 63 1HZ LYS 63 -12.028 1.421 -1.036 468 2HZ LYS 63 2HZ LYS 63 -12.849 0.136 -0.419 469 3HZ LYS 63 3HZ LYS 63 -12.690 1.503 0.474 470 H ILE 64 H ILE 64 -6.151 -2.657 1.792 471 HA ILE 64 HA ILE 64 -5.206 -3.201 -0.696 472 HB ILE 64 HB ILE 64 -4.925 -4.259 2.016 473 1HG1 ILE 64 2HG1 ILE 64 -3.574 -2.410 0.996 474 2HG1 ILE 64 3HG1 ILE 64 -2.675 -3.745 1.718 475 1HG2 ILE 64 1HG2 ILE 64 -5.160 -6.376 1.173 476 2HG2 ILE 64 2HG2 ILE 64 -4.156 -6.023 -0.259 477 3HG2 ILE 64 3HG2 ILE 64 -3.435 -6.091 1.369 478 1HD1 ILE 64 1HD1 ILE 64 -1.615 -3.131 -0.317 479 2HD1 ILE 64 2HD1 ILE 64 -2.393 -4.711 -0.579 480 3HD1 ILE 64 3HD1 ILE 64 -3.127 -3.238 -1.240 481 H GLU 65 H GLU 65 -7.341 -5.210 1.422 482 HA GLU 65 HA GLU 65 -8.044 -7.297 -0.339 483 1HB GLU 65 2HB GLU 65 -9.410 -5.930 1.998 484 2HB GLU 65 3HB GLU 65 -10.281 -7.134 1.059 485 1HG GLU 65 2HG GLU 65 -7.535 -7.945 1.934 486 2HG GLU 65 3HG GLU 65 -8.727 -7.702 3.219 487 H LYS 66 H LYS 66 -9.919 -4.273 0.270 488 HA LYS 66 HA LYS 66 -11.884 -4.938 -1.695 489 1HB LYS 66 2HB LYS 66 -11.210 -2.482 -0.099 490 2HB LYS 66 3HB LYS 66 -12.288 -2.318 -1.489 491 1HG LYS 66 2HG LYS 66 -13.655 -2.671 0.451 492 2HG LYS 66 3HG LYS 66 -13.753 -4.113 -0.567 493 1HD LYS 66 2HD LYS 66 -12.042 -5.212 0.947 494 2HD LYS 66 3HD LYS 66 -12.064 -3.746 1.952 495 1HE LYS 66 2HE LYS 66 -14.505 -4.109 2.354 496 2HE LYS 66 3HE LYS 66 -14.426 -5.603 1.392 497 1HZ LYS 66 1HZ LYS 66 -14.222 -6.038 3.757 498 2HZ LYS 66 2HZ LYS 66 -12.795 -6.424 3.027 499 3HZ LYS 66 3HZ LYS 66 -12.945 -5.040 3.881 500 H LEU 67 H LEU 67 -8.847 -3.263 -2.053 501 HA LEU 67 HA LEU 67 -9.275 -2.280 -4.744 502 1HB LEU 67 2HB LEU 67 -6.813 -2.745 -3.051 503 2HB LEU 67 3HB LEU 67 -6.747 -2.085 -4.684 504 HG LEU 67 HG LEU 67 -8.540 -0.780 -2.609 505 1HD1 LEU 67 1HD1 LEU 67 -6.273 -0.927 -1.611 506 2HD1 LEU 67 2HD1 LEU 67 -5.602 -0.161 -3.048 507 3HD1 LEU 67 3HD1 LEU 67 -6.724 0.741 -2.018 508 1HD2 LEU 67 1HD2 LEU 67 -7.062 0.286 -5.060 509 2HD2 LEU 67 2HD2 LEU 67 -8.798 -0.072 -4.981 510 3HD2 LEU 67 3HD2 LEU 67 -8.117 1.226 -3.989 511 H GLY 68 H GLY 68 -8.670 -5.406 -3.360 512 1HA GLY 68 2HA GLY 68 -8.938 -7.387 -4.499 513 2HA GLY 68 3HA GLY 68 -8.569 -6.609 -6.043 514 H TYR 69 H TYR 69 -6.669 -6.476 -2.965 515 HA TYR 69 HA TYR 69 -4.444 -7.955 -4.286 516 1HB TYR 69 2HB TYR 69 -4.674 -5.095 -3.659 517 2HB TYR 69 3HB TYR 69 -3.314 -5.819 -2.835 518 HD1 TYR 69 HD1 TYR 69 -4.910 -5.497 -6.209 519 HD2 TYR 69 HD2 TYR 69 -1.330 -6.431 -3.995 520 HE1 TYR 69 HE1 TYR 69 -3.620 -5.435 -8.286 521 HE2 TYR 69 HE2 TYR 69 -0.011 -6.155 -6.031 522 HH TYR 69 HH TYR 69 -1.525 -5.557 -9.238 523 H HIS 70 H HIS 70 -2.588 -8.133 -2.677 524 HA HIS 70 HA HIS 70 -3.400 -8.685 0.105 525 1HB HIS 70 2HB HIS 70 -4.075 -10.645 -1.276 526 2HB HIS 70 3HB HIS 70 -2.424 -10.807 -1.866 527 HD1 HIS 70 1HD HIS 70 -0.950 -10.638 1.070 528 HD2 HIS 70 2HD HIS 70 -4.291 -12.935 -0.082 529 HE1 HIS 70 1HE HIS 70 -0.976 -12.676 2.561 530 H VAL 71 H VAL 71 -1.701 -7.565 1.149 531 HA VAL 71 HA VAL 71 1.007 -7.636 0.014 532 HB VAL 71 HB VAL 71 1.519 -6.391 2.127 533 1HG1 VAL 71 1HG1 VAL 71 -0.393 -5.182 0.131 534 2HG1 VAL 71 2HG1 VAL 71 0.601 -4.232 1.259 535 3HG1 VAL 71 3HG1 VAL 71 1.367 -5.243 0.017 536 1HG2 VAL 71 1HG2 VAL 71 -0.453 -7.020 3.481 537 2HG2 VAL 71 2HG2 VAL 71 -0.182 -5.274 3.387 538 3HG2 VAL 71 3HG2 VAL 71 -1.469 -6.009 2.431 539 H VAL 72 H VAL 72 2.772 -8.382 1.479 540 HA VAL 72 HA VAL 72 1.928 -10.632 3.246 541 HB VAL 72 HB VAL 72 4.281 -10.738 1.429 542 1HG1 VAL 72 1HG1 VAL 72 2.957 -12.848 3.190 543 2HG1 VAL 72 2HG1 VAL 72 4.347 -13.112 2.117 544 3HG1 VAL 72 3HG1 VAL 72 4.512 -12.059 3.523 545 1HG2 VAL 72 1HG2 VAL 72 1.553 -12.074 1.183 546 2HG2 VAL 72 2HG2 VAL 72 2.268 -10.908 0.045 547 3HG2 VAL 72 3HG2 VAL 72 2.994 -12.512 0.240 548 H ILE 73 H ILE 73 3.083 -10.852 5.069 549 HA ILE 73 HA ILE 73 4.840 -8.566 5.868 550 HB ILE 73 HB ILE 73 2.903 -10.157 7.572 551 1HG1 ILE 73 2HG1 ILE 73 1.605 -8.750 6.094 552 2HG1 ILE 73 3HG1 ILE 73 1.628 -8.120 7.733 553 1HG2 ILE 73 1HG2 ILE 73 4.890 -7.939 8.154 554 2HG2 ILE 73 2HG2 ILE 73 3.435 -8.149 9.153 555 3HG2 ILE 73 3HG2 ILE 73 4.605 -9.456 9.019 556 1HD1 ILE 73 1HD1 ILE 73 3.385 -6.445 7.034 557 2HD1 ILE 73 2HD1 ILE 73 3.148 -7.021 5.367 558 3HD1 ILE 73 3HD1 ILE 73 1.810 -6.263 6.235 559 H GLU 74 H GLU 74 6.585 -10.049 4.911 560 HA GLU 74 HA GLU 74 7.299 -12.307 6.416 561 1HB GLU 74 2HB GLU 74 8.606 -10.665 4.244 562 2HB GLU 74 3HB GLU 74 9.426 -11.998 5.032 563 1HG GLU 74 2HG GLU 74 7.666 -13.572 4.347 564 2HG GLU 74 3HG GLU 74 6.746 -12.249 3.607 565 H GLY 75 H GLY 75 7.313 -9.276 7.318 566 1HA GLY 75 2HA GLY 75 10.079 -9.010 8.397 567 2HA GLY 75 3HA GLY 75 8.923 -7.723 8.016 568 H ARG 76 H ARG 76 6.823 -9.400 9.584 569 HA ARG 76 HA ARG 76 7.672 -8.991 12.320 570 1HB ARG 76 2HB ARG 76 6.351 -6.836 11.052 571 2HB ARG 76 3HB ARG 76 5.030 -7.754 11.765 572 1HG ARG 76 2HG ARG 76 5.635 -6.271 13.509 573 2HG ARG 76 3HG ARG 76 6.428 -7.786 13.944 574 1HD ARG 76 2HD ARG 76 8.087 -6.089 14.241 575 2HD ARG 76 3HD ARG 76 8.501 -6.917 12.734 576 HE ARG 76 HE ARG 76 6.758 -4.559 12.478 577 1HH1 ARG 76 2HH2 ARG 76 10.065 -5.763 12.238 578 2HH1 ARG 76 1HH2 ARG 76 10.736 -4.285 11.627 579 1HH2 ARG 76 2HH1 ARG 76 7.592 -2.601 11.607 580 2HH2 ARG 76 1HH1 ARG 76 9.269 -2.461 11.198 Start of MODEL 8 1 1H MET 1 H1 MET 1 2.821 19.721 15.977 2 2H MET 1 H2 MET 1 2.976 18.961 17.435 3 3H MET 1 H3 MET 1 2.600 18.095 16.080 4 HA MET 1 HA MET 1 0.632 18.400 17.410 5 1HB MET 1 2HB MET 1 1.472 21.304 17.147 6 2HB MET 1 3HB MET 1 -0.218 20.858 17.418 7 1HG MET 1 2HG MET 1 0.296 19.718 19.467 8 2HG MET 1 3HG MET 1 2.036 19.992 19.263 9 1HE MET 1 1HE MET 1 0.149 20.700 21.853 10 2HE MET 1 2HE MET 1 1.927 20.832 21.817 11 3HE MET 1 3HE MET 1 0.937 22.218 22.337 12 H LEU 2 H LEU 2 0.120 17.185 15.548 13 HA LEU 2 HA LEU 2 -1.809 18.019 13.884 14 1HB LEU 2 2HB LEU 2 0.792 18.924 12.786 15 2HB LEU 2 3HB LEU 2 0.006 17.825 11.683 16 HG LEU 2 HG LEU 2 -1.809 19.916 12.778 17 1HD1 LEU 2 1HD1 LEU 2 0.174 21.278 12.429 18 2HD1 LEU 2 2HD1 LEU 2 0.423 20.569 10.817 19 3HD1 LEU 2 3HD1 LEU 2 -1.004 21.579 11.143 20 1HD2 LEU 2 1HD2 LEU 2 -2.461 18.169 11.080 21 2HD2 LEU 2 2HD2 LEU 2 -2.634 19.827 10.471 22 3HD2 LEU 2 3HD2 LEU 2 -1.247 18.843 9.972 23 H SER 3 H SER 3 1.004 16.287 12.552 24 HA SER 3 HA SER 3 0.041 13.628 13.332 25 1HB SER 3 2HB SER 3 -0.052 14.833 10.516 26 2HB SER 3 3HB SER 3 0.013 13.098 10.803 27 HG SER 3 HG SER 3 -1.955 13.106 11.604 28 H GLU 4 H GLU 4 1.862 12.233 13.248 29 HA GLU 4 HA GLU 4 4.417 13.237 12.184 30 1HB GLU 4 2HB GLU 4 3.537 10.981 13.891 31 2HB GLU 4 3HB GLU 4 4.842 10.624 12.778 32 1HG GLU 4 2HG GLU 4 5.955 12.689 13.644 33 2HG GLU 4 3HG GLU 4 4.742 12.687 14.921 34 H GLN 5 H GLN 5 5.467 11.352 10.776 35 HA GLN 5 HA GLN 5 3.547 10.016 9.004 36 1HB GLN 5 2HB GLN 5 5.941 11.675 8.171 37 2HB GLN 5 3HB GLN 5 5.230 10.481 7.109 38 1HG GLN 5 2HG GLN 5 3.265 12.477 8.186 39 2HG GLN 5 3HG GLN 5 4.553 13.147 7.189 40 1HE2 GLN 5 1HE2 GLN 5 2.798 10.005 7.040 41 2HE2 GLN 5 2HE2 GLN 5 2.322 10.172 5.355 42 H LYS 6 H LYS 6 4.400 7.963 8.398 43 HA LYS 6 HA LYS 6 7.237 7.468 8.819 44 1HB LYS 6 2HB LYS 6 5.118 5.665 10.038 45 2HB LYS 6 3HB LYS 6 6.801 5.191 9.841 46 1HG LYS 6 2HG LYS 6 5.940 7.584 11.493 47 2HG LYS 6 3HG LYS 6 6.171 5.958 12.144 48 1HD LYS 6 2HD LYS 6 8.499 5.966 11.836 49 2HD LYS 6 3HD LYS 6 8.454 7.183 10.569 50 1HE LYS 6 2HE LYS 6 9.392 8.118 12.659 51 2HE LYS 6 3HE LYS 6 7.959 8.969 12.081 52 1HZ LYS 6 1HZ LYS 6 7.589 8.768 14.276 53 2HZ LYS 6 2HZ LYS 6 6.675 7.618 13.683 54 3HZ LYS 6 3HZ LYS 6 8.103 7.190 14.410 55 H GLU 7 H GLU 7 8.024 5.748 7.712 56 HA GLU 7 HA GLU 7 6.616 5.156 5.186 57 1HB GLU 7 2HB GLU 7 9.551 4.654 5.428 58 2HB GLU 7 3HB GLU 7 8.595 5.353 4.143 59 1HG GLU 7 2HG GLU 7 9.964 7.083 4.853 60 2HG GLU 7 3HG GLU 7 8.489 7.471 5.743 61 H ILE 8 H ILE 8 5.524 3.188 5.586 62 HA ILE 8 HA ILE 8 6.905 1.066 7.043 63 HB ILE 8 HB ILE 8 4.363 0.757 5.567 64 1HG1 ILE 8 2HG1 ILE 8 3.839 2.866 6.516 65 2HG1 ILE 8 3HG1 ILE 8 2.988 1.557 7.329 66 1HG2 ILE 8 1HG2 ILE 8 5.345 -1.123 6.766 67 2HG2 ILE 8 2HG2 ILE 8 5.410 -0.125 8.238 68 3HG2 ILE 8 3HG2 ILE 8 3.834 -0.620 7.556 69 1HD1 ILE 8 1HD1 ILE 8 5.615 2.507 8.395 70 2HD1 ILE 8 2HD1 ILE 8 4.108 3.370 8.790 71 3HD1 ILE 8 3HD1 ILE 8 4.304 1.646 9.222 72 H ALA 9 H ALA 9 7.292 -1.068 5.941 73 HA ALA 9 HA ALA 9 7.642 -0.926 3.000 74 1HB ALA 9 1HB ALA 9 9.843 -0.379 4.085 75 2HB ALA 9 2HB ALA 9 9.751 -1.914 4.969 76 3HB ALA 9 3HB ALA 9 9.859 -1.919 3.195 77 H MET 10 H MET 10 6.818 -2.797 2.084 78 HA MET 10 HA MET 10 6.776 -5.312 3.570 79 1HB MET 10 2HB MET 10 4.278 -5.499 3.551 80 2HB MET 10 3HB MET 10 4.910 -4.259 4.626 81 1HG MET 10 2HG MET 10 4.477 -2.606 2.656 82 2HG MET 10 3HG MET 10 3.447 -3.901 2.025 83 1HE MET 10 1HE MET 10 1.452 -1.995 2.004 84 2HE MET 10 2HE MET 10 1.205 -0.942 3.418 85 3HE MET 10 3HE MET 10 2.759 -0.930 2.564 86 H GLN 11 H GLN 11 5.284 -6.901 2.210 87 HA GLN 11 HA GLN 11 6.375 -6.864 -0.545 88 1HB GLN 11 2HB GLN 11 6.277 -8.805 1.616 89 2HB GLN 11 3HB GLN 11 5.343 -9.431 0.264 90 1HG GLN 11 2HG GLN 11 8.183 -8.400 -0.091 91 2HG GLN 11 3HG GLN 11 7.792 -10.061 0.389 92 1HE2 GLN 11 1HE2 GLN 11 7.733 -7.800 -2.301 93 2HE2 GLN 11 2HE2 GLN 11 7.001 -8.901 -3.447 94 H VAL 12 H VAL 12 4.968 -8.017 -2.170 95 HA VAL 12 HA VAL 12 2.087 -7.277 -1.808 96 HB VAL 12 HB VAL 12 3.805 -7.044 -4.317 97 1HG1 VAL 12 1HG1 VAL 12 1.841 -5.826 -5.219 98 2HG1 VAL 12 2HG1 VAL 12 1.440 -7.503 -4.849 99 3HG1 VAL 12 3HG1 VAL 12 0.924 -6.205 -3.747 100 1HG2 VAL 12 1HG2 VAL 12 4.474 -5.294 -2.790 101 2HG2 VAL 12 2HG2 VAL 12 3.370 -4.552 -3.952 102 3HG2 VAL 12 3HG2 VAL 12 2.778 -4.972 -2.342 103 H SER 13 H SER 13 0.561 -8.722 -2.668 104 HA SER 13 HA SER 13 1.512 -11.115 -4.115 105 1HB SER 13 2HB SER 13 1.400 -11.847 -1.811 106 2HB SER 13 3HB SER 13 -0.221 -11.145 -1.613 107 HG SER 13 HG SER 13 -0.245 -13.423 -2.045 108 H GLY 14 H GLY 14 -0.633 -12.325 -4.682 109 1HA GLY 14 2HA GLY 14 -2.239 -12.325 -6.370 110 2HA GLY 14 3HA GLY 14 -3.019 -11.105 -5.346 111 H MET 15 H MET 15 -0.195 -11.265 -7.622 112 HA MET 15 HA MET 15 -1.133 -8.755 -8.904 113 1HB MET 15 2HB MET 15 0.954 -7.699 -8.622 114 2HB MET 15 3HB MET 15 0.572 -8.407 -7.046 115 1HG MET 15 2HG MET 15 2.782 -8.936 -7.240 116 2HG MET 15 3HG MET 15 2.075 -10.408 -7.910 117 1HE MET 15 1HE MET 15 4.414 -11.050 -8.992 118 2HE MET 15 2HE MET 15 5.382 -9.930 -9.978 119 3HE MET 15 3HE MET 15 5.130 -9.595 -8.250 120 H THR 16 H THR 16 -0.507 -8.460 -11.040 121 HA THR 16 HA THR 16 0.676 -10.779 -12.474 122 HB THR 16 HB THR 16 -0.163 -9.076 -14.431 123 HG1 THR 16 1HG THR 16 -2.165 -8.891 -12.449 124 1HG2 THR 16 1HG2 THR 16 -1.815 -11.174 -12.937 125 2HG2 THR 16 2HG2 THR 16 -2.246 -10.470 -14.518 126 3HG2 THR 16 3HG2 THR 16 -0.763 -11.419 -14.347 127 H CYS 17 H CYS 17 0.871 -7.134 -12.444 128 HA CYS 17 HA CYS 17 3.748 -7.409 -13.108 129 1HB CYS 17 2HB CYS 17 3.491 -6.020 -15.067 130 2HB CYS 17 3HB CYS 17 2.387 -7.392 -15.216 131 H ALA 18 H ALA 18 4.842 -5.348 -13.186 132 HA ALA 18 HA ALA 18 4.372 -3.809 -10.771 133 1HB ALA 18 1HB ALA 18 6.630 -4.493 -11.524 134 2HB ALA 18 2HB ALA 18 6.439 -3.521 -12.996 135 3HB ALA 18 3HB ALA 18 6.493 -2.725 -11.411 136 H ALA 19 H ALA 19 2.135 -3.404 -12.106 137 HA ALA 19 HA ALA 19 2.226 -0.520 -12.740 138 1HB ALA 19 1HB ALA 19 2.449 -1.553 -14.967 139 2HB ALA 19 2HB ALA 19 0.995 -2.530 -14.675 140 3HB ALA 19 3HB ALA 19 0.869 -0.766 -14.774 141 H CYS 20 H CYS 20 -0.040 -3.367 -12.785 142 HA CYS 20 HA CYS 20 -2.217 -1.930 -11.734 143 1HB CYS 20 2HB CYS 20 -1.620 -4.882 -11.163 144 2HB CYS 20 3HB CYS 20 -3.197 -4.080 -11.201 145 H ALA 21 H ALA 21 0.400 -3.651 -10.080 146 HA ALA 21 HA ALA 21 -0.364 -3.319 -7.416 147 1HB ALA 21 1HB ALA 21 2.014 -3.573 -6.902 148 2HB ALA 21 2HB ALA 21 1.549 -4.678 -8.207 149 3HB ALA 21 3HB ALA 21 2.438 -3.187 -8.588 150 H ALA 22 H ALA 22 0.535 -0.749 -9.647 151 HA ALA 22 HA ALA 22 1.191 1.173 -7.529 152 1HB ALA 22 1HB ALA 22 0.374 1.679 -10.419 153 2HB ALA 22 2HB ALA 22 1.194 2.795 -9.310 154 3HB ALA 22 3HB ALA 22 2.049 1.357 -9.915 155 H ARG 23 H ARG 23 -1.639 0.183 -9.468 156 HA ARG 23 HA ARG 23 -3.234 2.484 -8.914 157 1HB ARG 23 2HB ARG 23 -4.008 -0.403 -9.534 158 2HB ARG 23 3HB ARG 23 -5.166 0.909 -9.439 159 1HG ARG 23 2HG ARG 23 -2.778 0.889 -11.353 160 2HG ARG 23 3HG ARG 23 -4.376 0.276 -11.765 161 1HD ARG 23 2HD ARG 23 -3.685 3.152 -10.987 162 2HD ARG 23 3HD ARG 23 -4.077 2.601 -12.597 163 HE ARG 23 HE ARG 23 -5.892 3.214 -10.404 164 1HH1 ARG 23 2HH2 ARG 23 -5.585 1.290 -13.333 165 2HH1 ARG 23 1HH2 ARG 23 -7.288 1.163 -13.642 166 1HH2 ARG 23 2HH1 ARG 23 -8.177 3.041 -10.739 167 2HH2 ARG 23 1HH1 ARG 23 -8.795 2.178 -12.109 168 H ILE 24 H ILE 24 -2.886 -0.643 -7.234 169 HA ILE 24 HA ILE 24 -4.844 -0.082 -5.297 170 HB ILE 24 HB ILE 24 -4.038 -1.863 -3.986 171 1HG1 ILE 24 2HG1 ILE 24 -1.526 -1.481 -5.530 172 2HG1 ILE 24 3HG1 ILE 24 -1.790 -1.455 -3.767 173 1HG2 ILE 24 1HG2 ILE 24 -3.490 -2.676 -6.867 174 2HG2 ILE 24 2HG2 ILE 24 -4.286 -3.572 -5.554 175 3HG2 ILE 24 3HG2 ILE 24 -5.116 -2.220 -6.315 176 1HD1 ILE 24 1HD1 ILE 24 -0.579 -3.457 -4.358 177 2HD1 ILE 24 2HD1 ILE 24 -2.227 -3.915 -3.867 178 3HD1 ILE 24 3HD1 ILE 24 -1.779 -3.850 -5.596 179 H GLU 25 H GLU 25 -1.281 0.423 -4.997 180 HA GLU 25 HA GLU 25 -1.345 1.723 -2.560 181 1HB GLU 25 2HB GLU 25 0.592 1.253 -4.647 182 2HB GLU 25 3HB GLU 25 0.738 2.930 -4.102 183 1HG GLU 25 2HG GLU 25 2.151 1.407 -2.766 184 2HG GLU 25 3HG GLU 25 0.910 2.173 -1.764 185 H LYS 26 H LYS 26 -1.954 3.123 -5.755 186 HA LYS 26 HA LYS 26 -1.924 5.871 -4.714 187 1HB LYS 26 2HB LYS 26 -3.051 4.873 -7.344 188 2HB LYS 26 3HB LYS 26 -2.748 6.553 -6.889 189 1HG LYS 26 2HG LYS 26 -0.678 4.383 -7.362 190 2HG LYS 26 3HG LYS 26 -1.021 5.776 -8.376 191 1HD LYS 26 2HD LYS 26 -0.117 7.271 -6.585 192 2HD LYS 26 3HD LYS 26 0.105 5.868 -5.530 193 1HE LYS 26 2HE LYS 26 2.245 6.399 -6.424 194 2HE LYS 26 3HE LYS 26 1.710 4.848 -7.077 195 1HZ LYS 26 1HZ LYS 26 1.622 7.436 -8.495 196 2HZ LYS 26 2HZ LYS 26 2.694 6.222 -8.756 197 3HZ LYS 26 3HZ LYS 26 1.109 5.998 -9.115 198 H GLY 27 H GLY 27 -4.518 3.502 -5.488 199 1HA GLY 27 2HA GLY 27 -6.697 5.214 -4.682 200 2HA GLY 27 3HA GLY 27 -6.699 3.441 -4.753 201 H LEU 28 H LEU 28 -4.526 2.996 -3.009 202 HA LEU 28 HA LEU 28 -5.712 2.924 -0.368 203 1HB LEU 28 2HB LEU 28 -4.336 1.259 -1.154 204 2HB LEU 28 3HB LEU 28 -3.023 2.381 -1.494 205 HG LEU 28 HG LEU 28 -4.042 1.929 1.322 206 1HD1 LEU 28 1HD1 LEU 28 -1.993 0.311 1.332 207 2HD1 LEU 28 2HD1 LEU 28 -3.487 -0.201 0.515 208 3HD1 LEU 28 3HD1 LEU 28 -2.099 0.382 -0.428 209 1HD2 LEU 28 1HD2 LEU 28 -1.482 2.571 1.611 210 2HD2 LEU 28 2HD2 LEU 28 -1.643 3.251 -0.007 211 3HD2 LEU 28 3HD2 LEU 28 -2.687 3.829 1.313 212 H LYS 29 H LYS 29 -3.218 5.048 -1.883 213 HA LYS 29 HA LYS 29 -2.779 6.684 0.309 214 1HB LYS 29 2HB LYS 29 -1.644 6.719 -2.008 215 2HB LYS 29 3HB LYS 29 -2.975 7.784 -2.492 216 1HG LYS 29 2HG LYS 29 -2.173 9.018 -0.158 217 2HG LYS 29 3HG LYS 29 -0.669 8.261 -0.633 218 1HD LYS 29 2HD LYS 29 -2.411 10.112 -2.351 219 2HD LYS 29 3HD LYS 29 -0.995 10.602 -1.431 220 1HE LYS 29 2HE LYS 29 0.252 8.725 -2.843 221 2HE LYS 29 3HE LYS 29 -1.124 8.917 -3.942 222 1HZ LYS 29 1HZ LYS 29 -0.502 11.366 -3.899 223 2HZ LYS 29 2HZ LYS 29 0.860 10.916 -3.066 224 3HZ LYS 29 3HZ LYS 29 0.655 10.381 -4.561 225 H ARG 30 H ARG 30 -5.756 6.470 -1.537 226 HA ARG 30 HA ARG 30 -6.695 9.111 -0.737 227 1HB ARG 30 2HB ARG 30 -7.439 7.136 -2.636 228 2HB ARG 30 3HB ARG 30 -8.825 7.293 -1.560 229 1HG ARG 30 2HG ARG 30 -7.338 9.636 -2.834 230 2HG ARG 30 3HG ARG 30 -8.602 8.743 -3.685 231 1HD ARG 30 2HD ARG 30 -10.333 9.579 -2.367 232 2HD ARG 30 3HD ARG 30 -9.314 9.702 -0.942 233 HE ARG 30 HE ARG 30 -8.976 11.853 -1.344 234 1HH1 ARG 30 2HH2 ARG 30 -9.595 10.359 -4.462 235 2HH1 ARG 30 1HH2 ARG 30 -9.427 11.813 -5.398 236 1HH2 ARG 30 2HH1 ARG 30 -8.775 13.824 -2.521 237 2HH2 ARG 30 1HH1 ARG 30 -8.965 13.847 -4.242 238 H MET 31 H MET 31 -6.121 6.373 1.133 239 HA MET 31 HA MET 31 -8.442 6.500 2.819 240 1HB MET 31 2HB MET 31 -5.613 5.458 3.157 241 2HB MET 31 3HB MET 31 -6.762 5.354 4.479 242 1HG MET 31 2HG MET 31 -7.438 4.212 1.768 243 2HG MET 31 3HG MET 31 -6.428 3.348 2.927 244 1HE MET 31 1HE MET 31 -10.112 5.231 3.212 245 2HE MET 31 2HE MET 31 -9.997 4.086 1.848 246 3HE MET 31 3HE MET 31 -10.970 3.689 3.284 247 HA PRO 32 HA PRO 32 -7.416 10.020 5.379 248 1HB PRO 32 2HB PRO 32 -8.218 9.158 7.877 249 2HB PRO 32 3HB PRO 32 -9.350 9.664 6.592 250 1HG PRO 32 2HG PRO 32 -8.488 6.847 7.284 251 2HG PRO 32 3HG PRO 32 -10.154 7.452 7.038 252 1HD PRO 32 2HD PRO 32 -8.812 6.187 5.081 253 2HD PRO 32 3HD PRO 32 -9.829 7.599 4.679 254 H GLY 33 H GLY 33 -5.566 10.640 6.514 255 1HA GLY 33 2HA GLY 33 -3.683 10.409 7.849 256 2HA GLY 33 3HA GLY 33 -3.937 8.662 7.941 257 H VAL 34 H VAL 34 -4.125 8.478 4.865 258 HA VAL 34 HA VAL 34 -1.223 8.086 4.634 259 HB VAL 34 HB VAL 34 -3.332 7.429 2.567 260 1HG1 VAL 34 1HG1 VAL 34 -1.469 5.809 1.893 261 2HG1 VAL 34 2HG1 VAL 34 -1.039 7.519 1.694 262 3HG1 VAL 34 3HG1 VAL 34 -0.420 6.602 3.066 263 1HG2 VAL 34 1HG2 VAL 34 -3.900 6.221 4.619 264 2HG2 VAL 34 2HG2 VAL 34 -3.162 5.109 3.461 265 3HG2 VAL 34 3HG2 VAL 34 -2.213 5.722 4.834 266 H THR 35 H THR 35 0.130 9.462 3.643 267 HA THR 35 HA THR 35 -1.079 11.814 2.241 268 HB THR 35 HB THR 35 1.133 11.520 4.168 269 HG1 THR 35 1HG THR 35 -0.945 13.399 3.777 270 1HG2 THR 35 1HG2 THR 35 2.312 12.672 2.448 271 2HG2 THR 35 2HG2 THR 35 0.914 13.719 2.080 272 3HG2 THR 35 3HG2 THR 35 1.784 13.884 3.625 273 H ASP 36 H ASP 36 1.551 9.303 2.004 274 HA ASP 36 HA ASP 36 1.217 9.599 -0.825 275 1HB ASP 36 2HB ASP 36 3.587 10.823 0.439 276 2HB ASP 36 3HB ASP 36 4.038 9.570 -0.716 277 H ALA 37 H ALA 37 2.619 7.970 -1.981 278 HA ALA 37 HA ALA 37 3.185 5.562 -0.489 279 1HB ALA 37 1HB ALA 37 0.671 5.539 -0.508 280 2HB ALA 37 2HB ALA 37 0.709 5.597 -2.285 281 3HB ALA 37 3HB ALA 37 1.386 4.203 -1.418 282 H ASN 38 H ASN 38 4.164 3.889 -1.778 283 HA ASN 38 HA ASN 38 4.960 4.639 -4.512 284 1HB ASN 38 2HB ASN 38 7.424 4.256 -3.147 285 2HB ASN 38 3HB ASN 38 6.829 5.678 -3.980 286 1HD2 ASN 38 1HD2 ASN 38 5.973 4.189 -0.771 287 2HD2 ASN 38 2HD2 ASN 38 6.386 5.648 0.126 288 H VAL 39 H VAL 39 4.717 2.754 -5.500 289 HA VAL 39 HA VAL 39 5.082 0.212 -4.088 290 HB VAL 39 HB VAL 39 3.080 0.510 -5.309 291 1HG1 VAL 39 1HG1 VAL 39 3.281 0.593 -7.921 292 2HG1 VAL 39 2HG1 VAL 39 3.301 2.094 -6.970 293 3HG1 VAL 39 3HG1 VAL 39 4.792 1.433 -7.636 294 1HG2 VAL 39 1HG2 VAL 39 4.087 -1.704 -5.259 295 2HG2 VAL 39 2HG2 VAL 39 3.119 -1.447 -6.715 296 3HG2 VAL 39 3HG2 VAL 39 4.878 -1.385 -6.829 297 H ASN 40 H ASN 40 7.320 -0.094 -3.796 298 HA ASN 40 HA ASN 40 9.131 0.337 -6.070 299 1HB ASN 40 2HB ASN 40 9.695 0.917 -3.710 300 2HB ASN 40 3HB ASN 40 9.703 -0.809 -3.317 301 1HD2 ASN 40 1HD2 ASN 40 12.004 0.272 -2.725 302 2HD2 ASN 40 2HD2 ASN 40 13.220 0.034 -3.971 303 H LEU 41 H LEU 41 7.421 -1.318 -7.055 304 HA LEU 41 HA LEU 41 7.858 -4.124 -6.568 305 1HB LEU 41 2HB LEU 41 6.206 -2.465 -8.321 306 2HB LEU 41 3HB LEU 41 6.915 -3.769 -9.239 307 HG LEU 41 HG LEU 41 4.645 -4.154 -8.223 308 1HD1 LEU 41 1HD1 LEU 41 5.958 -5.961 -9.205 309 2HD1 LEU 41 2HD1 LEU 41 6.841 -6.190 -7.682 310 3HD1 LEU 41 3HD1 LEU 41 5.100 -6.537 -7.765 311 1HD2 LEU 41 1HD2 LEU 41 4.294 -4.628 -6.015 312 2HD2 LEU 41 2HD2 LEU 41 5.977 -5.056 -5.677 313 3HD2 LEU 41 3HD2 LEU 41 5.522 -3.358 -5.836 314 H ALA 42 H ALA 42 9.620 -1.740 -8.346 315 HA ALA 42 HA ALA 42 11.157 -3.231 -10.128 316 1HB ALA 42 1HB ALA 42 11.338 -0.775 -9.802 317 2HB ALA 42 2HB ALA 42 12.102 -1.060 -8.216 318 3HB ALA 42 3HB ALA 42 12.920 -1.584 -9.697 319 H THR 43 H THR 43 11.287 -3.211 -6.541 320 HA THR 43 HA THR 43 13.264 -5.432 -6.743 321 HB THR 43 HB THR 43 14.222 -3.320 -5.972 322 HG1 THR 43 1HG THR 43 15.048 -5.431 -5.478 323 1HG2 THR 43 1HG2 THR 43 12.852 -3.867 -3.307 324 2HG2 THR 43 2HG2 THR 43 13.862 -2.485 -3.754 325 3HG2 THR 43 3HG2 THR 43 12.242 -2.673 -4.463 326 H GLU 44 H GLU 44 10.322 -5.468 -6.815 327 HA GLU 44 HA GLU 44 8.468 -6.295 -5.782 328 1HB GLU 44 2HB GLU 44 10.618 -8.271 -4.979 329 2HB GLU 44 3HB GLU 44 8.882 -8.558 -4.794 330 1HG GLU 44 2HG GLU 44 8.506 -8.279 -7.204 331 2HG GLU 44 3HG GLU 44 10.226 -7.933 -7.461 332 H THR 45 H THR 45 9.000 -4.130 -4.315 333 HA THR 45 HA THR 45 8.140 -5.025 -1.649 334 HB THR 45 HB THR 45 10.297 -2.931 -2.258 335 HG1 THR 45 1HG THR 45 10.472 -5.642 -1.913 336 1HG2 THR 45 1HG2 THR 45 9.215 -4.181 0.272 337 2HG2 THR 45 2HG2 THR 45 10.678 -3.161 0.210 338 3HG2 THR 45 3HG2 THR 45 9.101 -2.460 -0.217 339 H VAL 46 H VAL 46 7.002 -3.170 -0.537 340 HA VAL 46 HA VAL 46 6.222 -0.934 -2.321 341 HB VAL 46 HB VAL 46 4.494 -2.545 -2.674 342 1HG1 VAL 46 1HG1 VAL 46 4.360 -2.763 0.348 343 2HG1 VAL 46 2HG1 VAL 46 3.073 -3.349 -0.714 344 3HG1 VAL 46 3HG1 VAL 46 4.684 -4.073 -0.806 345 1HG2 VAL 46 1HG2 VAL 46 3.824 -0.147 -2.283 346 2HG2 VAL 46 2HG2 VAL 46 2.600 -1.399 -2.002 347 3HG2 VAL 46 3HG2 VAL 46 3.380 -0.602 -0.620 348 H ASN 47 H ASN 47 5.744 1.004 -1.223 349 HA ASN 47 HA ASN 47 6.273 0.998 1.683 350 1HB ASN 47 2HB ASN 47 7.558 2.672 -0.528 351 2HB ASN 47 3HB ASN 47 7.513 3.217 1.153 352 1HD2 ASN 47 1HD2 ASN 47 8.366 1.554 2.808 353 2HD2 ASN 47 2HD2 ASN 47 9.927 0.892 2.346 354 H VAL 48 H VAL 48 5.056 2.610 2.825 355 HA VAL 48 HA VAL 48 3.199 4.247 1.219 356 HB VAL 48 HB VAL 48 2.297 2.509 3.537 357 1HG1 VAL 48 1HG1 VAL 48 1.136 4.764 3.082 358 2HG1 VAL 48 2HG1 VAL 48 0.674 4.111 1.505 359 3HG1 VAL 48 3HG1 VAL 48 0.098 3.333 2.993 360 1HG2 VAL 48 1HG2 VAL 48 2.710 1.066 1.558 361 2HG2 VAL 48 2HG2 VAL 48 0.974 1.256 1.838 362 3HG2 VAL 48 3HG2 VAL 48 1.772 2.170 0.544 363 H ILE 49 H ILE 49 3.135 6.265 2.066 364 HA ILE 49 HA ILE 49 4.736 6.735 4.488 365 HB ILE 49 HB ILE 49 4.070 8.743 2.303 366 1HG1 ILE 49 2HG1 ILE 49 5.264 7.053 1.136 367 2HG1 ILE 49 3HG1 ILE 49 6.313 8.437 1.406 368 1HG2 ILE 49 1HG2 ILE 49 6.042 9.925 3.259 369 2HG2 ILE 49 2HG2 ILE 49 4.711 9.746 4.406 370 3HG2 ILE 49 3HG2 ILE 49 6.132 8.701 4.544 371 1HD1 ILE 49 1HD1 ILE 49 6.408 5.793 2.915 372 2HD1 ILE 49 2HD1 ILE 49 7.596 6.424 1.768 373 3HD1 ILE 49 3HD1 ILE 49 7.379 7.225 3.330 374 H TYR 50 H TYR 50 3.182 6.733 6.145 375 HA TYR 50 HA TYR 50 0.768 8.460 5.780 376 1HB TYR 50 2HB TYR 50 -0.681 6.813 6.681 377 2HB TYR 50 3HB TYR 50 0.061 6.251 5.212 378 HD1 TYR 50 HD1 TYR 50 0.500 5.980 8.954 379 HD2 TYR 50 HD2 TYR 50 0.666 3.992 5.151 380 HE1 TYR 50 HE1 TYR 50 0.822 3.836 10.098 381 HE2 TYR 50 HE2 TYR 50 0.657 1.810 6.304 382 HH TYR 50 HH TYR 50 1.072 1.520 9.784 383 H ASP 51 H ASP 51 -0.379 8.895 7.680 384 HA ASP 51 HA ASP 51 1.373 9.522 9.944 385 1HB ASP 51 2HB ASP 51 -0.201 11.184 9.345 386 2HB ASP 51 3HB ASP 51 -1.548 10.039 9.414 387 HA PRO 52 HA PRO 52 0.156 5.488 11.646 388 1HB PRO 52 2HB PRO 52 1.976 5.230 13.623 389 2HB PRO 52 3HB PRO 52 2.430 5.137 11.897 390 1HG PRO 52 2HG PRO 52 2.566 7.579 13.700 391 2HG PRO 52 3HG PRO 52 3.883 6.890 12.703 392 1HD PRO 52 2HD PRO 52 2.327 8.937 11.827 393 2HD PRO 52 3HD PRO 52 2.877 7.654 10.704 394 H ALA 53 H ALA 53 -0.619 8.568 12.828 395 HA ALA 53 HA ALA 53 -1.710 7.598 15.393 396 1HB ALA 53 1HB ALA 53 -1.975 10.280 13.985 397 2HB ALA 53 2HB ALA 53 -2.434 9.887 15.649 398 3HB ALA 53 3HB ALA 53 -0.718 9.894 15.181 399 H GLU 54 H GLU 54 -2.510 8.236 11.979 400 HA GLU 54 HA GLU 54 -5.368 8.002 12.628 401 1HB GLU 54 2HB GLU 54 -4.058 9.822 10.930 402 2HB GLU 54 3HB GLU 54 -4.755 8.613 9.848 403 1HG GLU 54 2HG GLU 54 -6.531 9.961 9.907 404 2HG GLU 54 3HG GLU 54 -6.948 9.007 11.332 405 H THR 55 H THR 55 -2.987 6.953 10.171 406 HA THR 55 HA THR 55 -4.279 4.329 9.983 407 HB THR 55 HB THR 55 -2.387 4.095 8.032 408 HG1 THR 55 1HG THR 55 -3.425 6.613 7.701 409 1HG2 THR 55 1HG2 THR 55 -5.185 5.345 7.952 410 2HG2 THR 55 2HG2 THR 55 -4.290 4.715 6.542 411 3HG2 THR 55 3HG2 THR 55 -4.755 3.614 7.866 412 H GLY 56 H GLY 56 -2.207 2.768 9.462 413 1HA GLY 56 2HA GLY 56 -0.598 1.761 11.311 414 2HA GLY 56 3HA GLY 56 -1.991 2.212 12.315 415 H THR 57 H THR 57 -1.005 0.490 9.685 416 HA THR 57 HA THR 57 -1.712 -0.455 7.915 417 HB THR 57 HB THR 57 -1.585 -2.937 8.313 418 HG1 THR 57 1HG THR 57 -1.281 -3.554 10.520 419 1HG2 THR 57 1HG2 THR 57 0.662 -2.973 9.271 420 2HG2 THR 57 2HG2 THR 57 0.508 -1.584 8.178 421 3HG2 THR 57 3HG2 THR 57 0.456 -1.347 9.941 422 H ALA 58 H ALA 58 -4.054 -0.955 10.441 423 HA ALA 58 HA ALA 58 -6.194 -2.302 9.609 424 1HB ALA 58 1HB ALA 58 -6.020 -0.769 11.534 425 2HB ALA 58 2HB ALA 58 -6.008 0.616 10.444 426 3HB ALA 58 3HB ALA 58 -7.483 -0.379 10.584 427 H ALA 59 H ALA 59 -5.429 0.952 8.292 428 HA ALA 59 HA ALA 59 -7.977 0.756 6.766 429 1HB ALA 59 1HB ALA 59 -6.085 3.002 6.239 430 2HB ALA 59 2HB ALA 59 -7.849 2.968 6.299 431 3HB ALA 59 3HB ALA 59 -6.951 2.925 7.812 432 H ILE 60 H ILE 60 -4.546 0.674 6.201 433 HA ILE 60 HA ILE 60 -4.509 0.569 3.389 434 HB ILE 60 HB ILE 60 -2.652 -0.121 5.684 435 1HG1 ILE 60 2HG1 ILE 60 -1.134 1.205 4.076 436 2HG1 ILE 60 3HG1 ILE 60 -2.601 1.446 3.116 437 1HG2 ILE 60 1HG2 ILE 60 -0.928 -1.040 4.192 438 2HG2 ILE 60 2HG2 ILE 60 -2.251 -2.149 4.469 439 3HG2 ILE 60 3HG2 ILE 60 -2.150 -1.277 2.924 440 1HD1 ILE 60 1HD1 ILE 60 -2.246 2.218 6.067 441 2HD1 ILE 60 2HD1 ILE 60 -2.001 3.329 4.712 442 3HD1 ILE 60 3HD1 ILE 60 -3.617 2.671 5.023 443 H GLN 61 H GLN 61 -4.503 -2.116 5.781 444 HA GLN 61 HA GLN 61 -4.514 -4.107 3.791 445 1HB GLN 61 2HB GLN 61 -4.388 -4.011 6.558 446 2HB GLN 61 3HB GLN 61 -5.813 -5.006 6.229 447 1HG GLN 61 2HG GLN 61 -4.550 -6.680 5.207 448 2HG GLN 61 3HG GLN 61 -3.260 -5.583 4.704 449 1HE2 GLN 61 1HE2 GLN 61 -1.921 -4.548 6.441 450 2HE2 GLN 61 2HE2 GLN 61 -1.506 -5.585 7.802 451 H GLU 62 H GLU 62 -7.220 -2.532 5.529 452 HA GLU 62 HA GLU 62 -9.414 -3.844 4.386 453 1HB GLU 62 2HB GLU 62 -8.821 -1.178 5.570 454 2HB GLU 62 3HB GLU 62 -10.157 -1.143 4.443 455 1HG GLU 62 2HG GLU 62 -10.240 -3.397 6.418 456 2HG GLU 62 3HG GLU 62 -10.378 -1.772 7.085 457 H LYS 63 H LYS 63 -7.749 -0.941 2.977 458 HA LYS 63 HA LYS 63 -9.293 -1.089 0.584 459 1HB LYS 63 2HB LYS 63 -6.872 0.384 1.592 460 2HB LYS 63 3HB LYS 63 -7.206 0.393 -0.112 461 1HG LYS 63 2HG LYS 63 -9.164 1.207 2.054 462 2HG LYS 63 3HG LYS 63 -8.160 2.286 1.073 463 1HD LYS 63 2HD LYS 63 -9.910 2.563 -0.214 464 2HD LYS 63 3HD LYS 63 -9.465 1.019 -0.942 465 1HE LYS 63 2HE LYS 63 -11.192 -0.149 0.299 466 2HE LYS 63 3HE LYS 63 -11.347 1.158 1.477 467 1HZ LYS 63 1HZ LYS 63 -12.359 2.496 -0.192 468 2HZ LYS 63 2HZ LYS 63 -12.158 1.332 -1.343 469 3HZ LYS 63 3HZ LYS 63 -13.157 1.069 -0.065 470 H ILE 64 H ILE 64 -6.104 -2.363 1.438 471 HA ILE 64 HA ILE 64 -5.100 -3.101 -0.986 472 HB ILE 64 HB ILE 64 -4.698 -3.759 1.762 473 1HG1 ILE 64 2HG1 ILE 64 -3.237 -2.449 0.247 474 2HG1 ILE 64 3HG1 ILE 64 -2.434 -3.666 1.230 475 1HG2 ILE 64 1HG2 ILE 64 -4.368 -6.136 -0.029 476 2HG2 ILE 64 2HG2 ILE 64 -3.440 -5.889 1.466 477 3HG2 ILE 64 3HG2 ILE 64 -5.188 -6.025 1.546 478 1HD1 ILE 64 1HD1 ILE 64 -2.393 -5.227 -0.692 479 2HD1 ILE 64 2HD1 ILE 64 -3.221 -4.027 -1.695 480 3HD1 ILE 64 3HD1 ILE 64 -1.586 -3.695 -1.076 481 H GLU 65 H GLU 65 -7.181 -4.991 1.269 482 HA GLU 65 HA GLU 65 -7.840 -7.199 -0.388 483 1HB GLU 65 2HB GLU 65 -9.085 -5.881 2.045 484 2HB GLU 65 3HB GLU 65 -9.897 -7.227 1.238 485 1HG GLU 65 2HG GLU 65 -6.991 -7.632 1.874 486 2HG GLU 65 3HG GLU 65 -8.124 -7.593 3.230 487 H LYS 66 H LYS 66 -9.799 -4.233 0.309 488 HA LYS 66 HA LYS 66 -11.923 -5.043 -1.390 489 1HB LYS 66 2HB LYS 66 -11.123 -2.455 -0.093 490 2HB LYS 66 3HB LYS 66 -12.281 -2.383 -1.422 491 1HG LYS 66 2HG LYS 66 -13.585 -2.544 0.538 492 2HG LYS 66 3HG LYS 66 -13.696 -4.098 -0.293 493 1HD LYS 66 2HD LYS 66 -11.857 -4.929 1.322 494 2HD LYS 66 3HD LYS 66 -12.061 -3.389 2.184 495 1HE LYS 66 2HE LYS 66 -14.529 -3.959 2.424 496 2HE LYS 66 3HE LYS 66 -14.171 -5.556 1.734 497 1HZ LYS 66 1HZ LYS 66 -12.612 -5.861 3.608 498 2HZ LYS 66 2HZ LYS 66 -13.051 -4.405 4.198 499 3HZ LYS 66 3HZ LYS 66 -14.157 -5.602 4.138 500 H LEU 67 H LEU 67 -8.951 -3.368 -2.245 501 HA LEU 67 HA LEU 67 -9.758 -2.647 -4.926 502 1HB LEU 67 2HB LEU 67 -7.138 -2.858 -3.428 503 2HB LEU 67 3HB LEU 67 -7.146 -2.586 -5.166 504 HG LEU 67 HG LEU 67 -8.928 -0.825 -3.482 505 1HD1 LEU 67 1HD1 LEU 67 -6.865 0.793 -3.440 506 2HD1 LEU 67 2HD1 LEU 67 -7.030 -0.449 -2.196 507 3HD1 LEU 67 3HD1 LEU 67 -5.920 -0.710 -3.526 508 1HD2 LEU 67 1HD2 LEU 67 -8.430 0.784 -5.261 509 2HD2 LEU 67 2HD2 LEU 67 -7.234 -0.317 -5.972 510 3HD2 LEU 67 3HD2 LEU 67 -8.956 -0.742 -5.987 511 H GLY 68 H GLY 68 -9.016 -5.689 -3.481 512 1HA GLY 68 2HA GLY 68 -9.261 -7.746 -4.488 513 2HA GLY 68 3HA GLY 68 -9.163 -7.021 -6.101 514 H TYR 69 H TYR 69 -6.989 -6.816 -3.211 515 HA TYR 69 HA TYR 69 -4.776 -8.139 -4.681 516 1HB TYR 69 2HB TYR 69 -5.126 -5.280 -4.262 517 2HB TYR 69 3HB TYR 69 -3.771 -5.842 -3.307 518 HD1 TYR 69 HD1 TYR 69 -1.738 -6.639 -4.328 519 HD2 TYR 69 HD2 TYR 69 -5.185 -5.730 -6.751 520 HE1 TYR 69 HE1 TYR 69 -0.310 -6.449 -6.287 521 HE2 TYR 69 HE2 TYR 69 -3.765 -5.656 -8.748 522 HH TYR 69 HH TYR 69 -0.202 -6.043 -8.567 523 H HIS 70 H HIS 70 -2.842 -8.245 -2.989 524 HA HIS 70 HA HIS 70 -3.782 -8.240 -0.223 525 1HB HIS 70 2HB HIS 70 -4.314 -10.518 -1.189 526 2HB HIS 70 3HB HIS 70 -2.581 -10.764 -1.406 527 HD1 HIS 70 1HD HIS 70 -2.265 -12.621 0.445 528 HD2 HIS 70 2HD HIS 70 -4.455 -9.262 1.724 529 HE1 HIS 70 1HE HIS 70 -2.695 -12.925 2.941 530 H VAL 71 H VAL 71 -2.078 -8.020 1.259 531 HA VAL 71 HA VAL 71 0.576 -7.366 0.078 532 HB VAL 71 HB VAL 71 -0.861 -5.434 0.902 533 1HG1 VAL 71 1HG1 VAL 71 -1.034 -4.966 3.242 534 2HG1 VAL 71 2HG1 VAL 71 -1.738 -6.573 2.984 535 3HG1 VAL 71 3HG1 VAL 71 -0.112 -6.414 3.679 536 1HG2 VAL 71 1HG2 VAL 71 1.850 -5.803 2.183 537 2HG2 VAL 71 2HG2 VAL 71 1.508 -5.191 0.540 538 3HG2 VAL 71 3HG2 VAL 71 0.971 -4.276 1.949 539 H VAL 72 H VAL 72 2.373 -8.132 1.313 540 HA VAL 72 HA VAL 72 1.705 -10.133 3.431 541 HB VAL 72 HB VAL 72 3.871 -10.507 1.436 542 1HG1 VAL 72 1HG1 VAL 72 3.806 -12.829 2.261 543 2HG1 VAL 72 2HG1 VAL 72 4.034 -11.722 3.619 544 3HG1 VAL 72 3HG1 VAL 72 2.440 -12.438 3.324 545 1HG2 VAL 72 1HG2 VAL 72 1.053 -11.659 1.332 546 2HG2 VAL 72 2HG2 VAL 72 1.805 -10.584 0.129 547 3HG2 VAL 72 3HG2 VAL 72 2.425 -12.226 0.354 548 H ILE 73 H ILE 73 3.121 -10.118 5.159 549 HA ILE 73 HA ILE 73 4.991 -7.790 5.247 550 HB ILE 73 HB ILE 73 3.330 -8.995 7.463 551 1HG1 ILE 73 2HG1 ILE 73 2.701 -6.396 7.478 552 2HG1 ILE 73 3HG1 ILE 73 3.205 -6.473 5.792 553 1HG2 ILE 73 1HG2 ILE 73 4.254 -7.180 8.827 554 2HG2 ILE 73 2HG2 ILE 73 5.544 -8.275 8.339 555 3HG2 ILE 73 3HG2 ILE 73 5.350 -6.725 7.494 556 1HD1 ILE 73 1HD1 ILE 73 1.123 -8.224 7.138 557 2HD1 ILE 73 2HD1 ILE 73 0.769 -6.776 6.163 558 3HD1 ILE 73 3HD1 ILE 73 1.490 -8.201 5.391 559 H GLU 74 H GLU 74 6.505 -9.312 4.145 560 HA GLU 74 HA GLU 74 7.653 -11.398 5.555 561 1HB GLU 74 2HB GLU 74 8.340 -9.811 3.160 562 2HB GLU 74 3HB GLU 74 9.686 -10.572 4.010 563 1HG GLU 74 2HG GLU 74 8.816 -12.052 2.242 564 2HG GLU 74 3HG GLU 74 8.664 -12.771 3.851 565 H GLY 75 H GLY 75 7.762 -8.248 6.235 566 1HA GLY 75 2HA GLY 75 8.786 -7.072 8.023 567 2HA GLY 75 3HA GLY 75 9.715 -8.527 8.418 568 H ARG 76 H ARG 76 9.458 -5.788 6.191 569 HA ARG 76 HA ARG 76 10.745 -4.681 4.873 570 1HB ARG 76 2HB ARG 76 11.866 -4.253 6.944 571 2HB ARG 76 3HB ARG 76 12.843 -5.705 6.793 572 1HG ARG 76 2HG ARG 76 14.221 -3.786 6.338 573 2HG ARG 76 3HG ARG 76 14.063 -4.776 4.898 574 1HD ARG 76 2HD ARG 76 12.099 -3.111 4.280 575 2HD ARG 76 3HD ARG 76 12.819 -2.092 5.552 576 HE ARG 76 HE ARG 76 14.517 -3.216 3.384 577 1HH1 ARG 76 2HH2 ARG 76 12.679 -0.402 4.456 578 2HH1 ARG 76 1HH2 ARG 76 13.409 0.714 3.345 579 1HH2 ARG 76 2HH1 ARG 76 15.500 -1.776 1.880 580 2HH2 ARG 76 1HH1 ARG 76 15.044 -0.102 1.822 Start of MODEL 9 1 1H MET 1 H1 MET 1 -2.597 16.146 19.248 2 2H MET 1 H2 MET 1 -1.879 16.403 20.734 3 3H MET 1 H3 MET 1 -2.178 17.658 19.684 4 HA MET 1 HA MET 1 0.082 17.235 19.392 5 1HB MET 1 2HB MET 1 -0.850 14.331 19.302 6 2HB MET 1 3HB MET 1 0.715 14.840 18.658 7 1HG MET 1 2HG MET 1 1.418 15.696 20.817 8 2HG MET 1 3HG MET 1 -0.144 15.277 21.544 9 1HE MET 1 1HE MET 1 2.420 12.791 23.181 10 2HE MET 1 2HE MET 1 2.782 14.448 22.648 11 3HE MET 1 3HE MET 1 1.246 14.093 23.484 12 H LEU 2 H LEU 2 1.076 16.808 17.174 13 HA LEU 2 HA LEU 2 -0.917 17.221 15.015 14 1HB LEU 2 2HB LEU 2 2.061 17.611 15.374 15 2HB LEU 2 3HB LEU 2 1.452 17.335 13.747 16 HG LEU 2 HG LEU 2 0.138 19.450 15.469 17 1HD1 LEU 2 1HD1 LEU 2 2.527 19.978 15.563 18 2HD1 LEU 2 2HD1 LEU 2 2.668 19.790 13.801 19 3HD1 LEU 2 3HD1 LEU 2 1.698 21.113 14.484 20 1HD2 LEU 2 1HD2 LEU 2 0.603 19.164 12.456 21 2HD2 LEU 2 2HD2 LEU 2 -0.908 18.749 13.288 22 3HD2 LEU 2 3HD2 LEU 2 -0.350 20.430 13.251 23 H SER 3 H SER 3 -0.893 15.822 13.139 24 HA SER 3 HA SER 3 -0.516 13.079 13.491 25 1HB SER 3 2HB SER 3 -0.376 14.541 10.825 26 2HB SER 3 3HB SER 3 -1.087 12.976 11.204 27 HG SER 3 HG SER 3 -2.747 14.472 11.083 28 H GLU 4 H GLU 4 1.489 12.334 14.090 29 HA GLU 4 HA GLU 4 3.986 13.146 12.801 30 1HB GLU 4 2HB GLU 4 3.134 11.097 14.754 31 2HB GLU 4 3HB GLU 4 4.412 10.591 13.680 32 1HG GLU 4 2HG GLU 4 5.562 12.759 14.334 33 2HG GLU 4 3HG GLU 4 4.403 12.789 15.670 34 H GLN 5 H GLN 5 5.134 11.290 11.522 35 HA GLN 5 HA GLN 5 3.264 9.843 9.733 36 1HB GLN 5 2HB GLN 5 5.561 11.630 8.916 37 2HB GLN 5 3HB GLN 5 4.860 10.412 7.870 38 1HG GLN 5 2HG GLN 5 2.729 12.101 8.989 39 2HG GLN 5 3HG GLN 5 3.981 13.097 8.249 40 1HE2 GLN 5 1HE2 GLN 5 2.793 9.808 7.405 41 2HE2 GLN 5 2HE2 GLN 5 2.254 10.245 5.794 42 H LYS 6 H LYS 6 4.175 7.957 8.787 43 HA LYS 6 HA LYS 6 6.913 7.220 9.431 44 1HB LYS 6 2HB LYS 6 4.508 5.549 10.289 45 2HB LYS 6 3HB LYS 6 6.134 4.888 10.153 46 1HG LYS 6 2HG LYS 6 5.377 7.146 12.045 47 2HG LYS 6 3HG LYS 6 5.490 5.427 12.454 48 1HD LYS 6 2HD LYS 6 7.932 5.489 11.711 49 2HD LYS 6 3HD LYS 6 7.759 7.218 11.423 50 1HE LYS 6 2HE LYS 6 8.808 6.915 13.559 51 2HE LYS 6 3HE LYS 6 7.213 7.650 13.773 52 1HZ LYS 6 1HZ LYS 6 6.372 5.513 14.424 53 2HZ LYS 6 2HZ LYS 6 7.830 4.790 14.156 54 3HZ LYS 6 3HZ LYS 6 7.660 5.902 15.362 55 H GLU 7 H GLU 7 7.624 5.427 8.266 56 HA GLU 7 HA GLU 7 6.418 5.185 5.585 57 1HB GLU 7 2HB GLU 7 9.356 4.853 6.248 58 2HB GLU 7 3HB GLU 7 8.542 5.307 4.753 59 1HG GLU 7 2HG GLU 7 9.686 7.221 5.570 60 2HG GLU 7 3HG GLU 7 7.983 7.532 5.935 61 H ILE 8 H ILE 8 5.338 3.147 5.844 62 HA ILE 8 HA ILE 8 6.714 1.020 7.314 63 HB ILE 8 HB ILE 8 4.182 0.988 5.770 64 1HG1 ILE 8 2HG1 ILE 8 3.723 2.730 7.266 65 2HG1 ILE 8 3HG1 ILE 8 2.942 1.250 7.850 66 1HG2 ILE 8 1HG2 ILE 8 3.676 -0.838 7.478 67 2HG2 ILE 8 2HG2 ILE 8 4.873 -1.182 6.216 68 3HG2 ILE 8 3HG2 ILE 8 5.421 -0.735 7.857 69 1HD1 ILE 8 1HD1 ILE 8 3.996 2.401 9.692 70 2HD1 ILE 8 2HD1 ILE 8 4.814 0.846 9.359 71 3HD1 ILE 8 3HD1 ILE 8 5.554 2.374 8.821 72 H ALA 9 H ALA 9 7.007 -1.084 6.157 73 HA ALA 9 HA ALA 9 7.329 -0.926 3.248 74 1HB ALA 9 1HB ALA 9 9.465 -2.101 3.321 75 2HB ALA 9 2HB ALA 9 9.616 -0.579 4.223 76 3HB ALA 9 3HB ALA 9 9.442 -2.111 5.098 77 H MET 10 H MET 10 6.580 -2.898 2.315 78 HA MET 10 HA MET 10 6.563 -5.311 3.913 79 1HB MET 10 2HB MET 10 4.227 -5.836 3.771 80 2HB MET 10 3HB MET 10 4.448 -4.377 4.738 81 1HG MET 10 2HG MET 10 3.585 -4.446 1.832 82 2HG MET 10 3HG MET 10 2.467 -4.466 3.168 83 1HE MET 10 1HE MET 10 1.302 -2.506 4.084 84 2HE MET 10 2HE MET 10 2.701 -2.499 5.191 85 3HE MET 10 3HE MET 10 2.128 -0.978 4.458 86 H GLN 11 H GLN 11 5.372 -7.126 2.502 87 HA GLN 11 HA GLN 11 6.532 -6.881 -0.232 88 1HB GLN 11 2HB GLN 11 6.024 -9.189 1.701 89 2HB GLN 11 3HB GLN 11 6.124 -9.498 -0.029 90 1HG GLN 11 2HG GLN 11 8.284 -8.195 1.688 91 2HG GLN 11 3HG GLN 11 8.309 -9.851 1.051 92 1HE2 GLN 11 1HE2 GLN 11 7.723 -9.856 -1.519 93 2HE2 GLN 11 2HE2 GLN 11 8.345 -8.514 -2.432 94 H VAL 12 H VAL 12 5.354 -7.906 -1.975 95 HA VAL 12 HA VAL 12 2.430 -7.324 -1.745 96 HB VAL 12 HB VAL 12 4.310 -7.083 -4.135 97 1HG1 VAL 12 1HG1 VAL 12 2.416 -5.753 -5.112 98 2HG1 VAL 12 2HG1 VAL 12 2.045 -7.461 -4.938 99 3HG1 VAL 12 3HG1 VAL 12 1.388 -6.286 -3.769 100 1HG2 VAL 12 1HG2 VAL 12 4.903 -5.375 -2.562 101 2HG2 VAL 12 2HG2 VAL 12 3.871 -4.586 -3.750 102 3HG2 VAL 12 3HG2 VAL 12 3.188 -5.037 -2.188 103 H SER 13 H SER 13 1.011 -8.631 -3.184 104 HA SER 13 HA SER 13 2.163 -10.890 -4.592 105 1HB SER 13 2HB SER 13 0.144 -11.256 -2.334 106 2HB SER 13 3HB SER 13 0.466 -12.483 -3.569 107 HG SER 13 HG SER 13 2.725 -11.456 -2.333 108 H GLY 14 H GLY 14 0.390 -11.836 -5.997 109 1HA GLY 14 2HA GLY 14 -1.614 -11.643 -7.194 110 2HA GLY 14 3HA GLY 14 -1.946 -10.068 -6.473 111 H MET 15 H MET 15 0.835 -9.071 -7.119 112 HA MET 15 HA MET 15 0.374 -7.831 -9.568 113 1HB MET 15 2HB MET 15 2.743 -7.334 -9.620 114 2HB MET 15 3HB MET 15 1.986 -6.971 -8.053 115 1HG MET 15 2HG MET 15 3.630 -8.150 -7.051 116 2HG MET 15 3HG MET 15 3.002 -9.615 -7.794 117 1HE MET 15 1HE MET 15 6.727 -10.285 -8.289 118 2HE MET 15 2HE MET 15 5.803 -9.735 -6.872 119 3HE MET 15 3HE MET 15 5.136 -10.995 -7.936 120 H THR 16 H THR 16 -0.132 -8.866 -11.389 121 HA THR 16 HA THR 16 2.006 -10.309 -12.753 122 HB THR 16 HB THR 16 -0.003 -12.022 -13.317 123 HG1 THR 16 1HG THR 16 -0.604 -11.089 -10.795 124 1HG2 THR 16 1HG2 THR 16 2.283 -12.701 -12.817 125 2HG2 THR 16 2HG2 THR 16 2.027 -12.458 -11.078 126 3HG2 THR 16 3HG2 THR 16 1.116 -13.699 -11.945 127 H CYS 17 H CYS 17 0.191 -7.782 -13.095 128 HA CYS 17 HA CYS 17 -0.931 -8.478 -15.783 129 1HB CYS 17 2HB CYS 17 -1.456 -5.956 -14.170 130 2HB CYS 17 3HB CYS 17 -2.380 -6.645 -15.506 131 H ALA 18 H ALA 18 0.678 -5.880 -14.049 132 HA ALA 18 HA ALA 18 2.969 -5.627 -15.660 133 1HB ALA 18 1HB ALA 18 1.555 -4.650 -17.409 134 2HB ALA 18 2HB ALA 18 0.782 -3.561 -16.239 135 3HB ALA 18 3HB ALA 18 2.500 -3.362 -16.647 136 H ALA 19 H ALA 19 0.559 -3.567 -13.966 137 HA ALA 19 HA ALA 19 2.409 -3.012 -11.722 138 1HB ALA 19 1HB ALA 19 1.661 -0.970 -13.828 139 2HB ALA 19 2HB ALA 19 2.598 -0.640 -12.341 140 3HB ALA 19 3HB ALA 19 3.268 -1.693 -13.605 141 H CYS 20 H CYS 20 -0.434 -4.020 -12.001 142 HA CYS 20 HA CYS 20 -2.244 -2.038 -11.127 143 1HB CYS 20 2HB CYS 20 -2.067 -5.025 -10.590 144 2HB CYS 20 3HB CYS 20 -3.467 -4.025 -10.154 145 H ALA 21 H ALA 21 0.238 -3.836 -9.332 146 HA ALA 21 HA ALA 21 -0.355 -3.057 -6.729 147 1HB ALA 21 1HB ALA 21 1.410 -4.636 -7.328 148 2HB ALA 21 2HB ALA 21 2.366 -3.313 -8.034 149 3HB ALA 21 3HB ALA 21 2.034 -3.346 -6.284 150 H ALA 22 H ALA 22 0.739 -0.973 -9.387 151 HA ALA 22 HA ALA 22 1.428 1.251 -7.608 152 1HB ALA 22 1HB ALA 22 0.675 1.317 -10.557 153 2HB ALA 22 2HB ALA 22 1.514 2.567 -9.622 154 3HB ALA 22 3HB ALA 22 2.318 1.015 -9.957 155 H ARG 23 H ARG 23 -1.437 0.114 -9.412 156 HA ARG 23 HA ARG 23 -3.018 2.466 -8.947 157 1HB ARG 23 2HB ARG 23 -3.881 -0.413 -9.456 158 2HB ARG 23 3HB ARG 23 -4.949 0.981 -9.482 159 1HG ARG 23 2HG ARG 23 -2.499 0.747 -11.298 160 2HG ARG 23 3HG ARG 23 -4.073 0.101 -11.743 161 1HD ARG 23 2HD ARG 23 -3.587 3.033 -11.044 162 2HD ARG 23 3HD ARG 23 -3.583 2.352 -12.683 163 HE ARG 23 HE ARG 23 -5.988 1.565 -11.409 164 1HH1 ARG 23 2HH2 ARG 23 -4.460 4.482 -12.649 165 2HH1 ARG 23 1HH2 ARG 23 -5.933 5.250 -13.159 166 1HH2 ARG 23 2HH1 ARG 23 -7.982 2.536 -12.080 167 2HH2 ARG 23 1HH1 ARG 23 -7.990 4.105 -12.811 168 H ILE 24 H ILE 24 -2.688 -0.663 -7.174 169 HA ILE 24 HA ILE 24 -4.566 0.072 -5.205 170 HB ILE 24 HB ILE 24 -3.846 -1.593 -3.769 171 1HG1 ILE 24 2HG1 ILE 24 -1.327 -1.493 -5.312 172 2HG1 ILE 24 3HG1 ILE 24 -1.547 -1.275 -3.563 173 1HG2 ILE 24 1HG2 ILE 24 -3.330 -2.716 -6.546 174 2HG2 ILE 24 2HG2 ILE 24 -4.155 -3.457 -5.156 175 3HG2 ILE 24 3HG2 ILE 24 -4.932 -2.147 -6.042 176 1HD1 ILE 24 1HD1 ILE 24 -0.455 -3.392 -3.979 177 2HD1 ILE 24 2HD1 ILE 24 -2.111 -3.712 -3.406 178 3HD1 ILE 24 3HD1 ILE 24 -1.713 -3.844 -5.137 179 H GLU 25 H GLU 25 -0.980 0.474 -4.957 180 HA GLU 25 HA GLU 25 -0.980 1.882 -2.575 181 1HB GLU 25 2HB GLU 25 0.899 1.376 -4.731 182 2HB GLU 25 3HB GLU 25 1.067 3.056 -4.205 183 1HG GLU 25 2HG GLU 25 2.533 1.545 -2.908 184 2HG GLU 25 3HG GLU 25 1.331 2.317 -1.867 185 H LYS 26 H LYS 26 -1.707 3.144 -5.764 186 HA LYS 26 HA LYS 26 -1.475 5.957 -4.951 187 1HB LYS 26 2HB LYS 26 -2.210 4.489 -7.472 188 2HB LYS 26 3HB LYS 26 -2.784 6.139 -7.261 189 1HG LYS 26 2HG LYS 26 -0.655 6.036 -8.489 190 2HG LYS 26 3HG LYS 26 -0.590 7.037 -7.032 191 1HD LYS 26 2HD LYS 26 0.660 5.300 -5.841 192 2HD LYS 26 3HD LYS 26 0.536 4.228 -7.246 193 1HE LYS 26 2HE LYS 26 1.790 5.772 -8.652 194 2HE LYS 26 3HE LYS 26 1.859 6.973 -7.354 195 1HZ LYS 26 1HZ LYS 26 3.101 4.311 -7.258 196 2HZ LYS 26 2HZ LYS 26 3.885 5.723 -7.553 197 3HZ LYS 26 3HZ LYS 26 3.198 5.470 -6.080 198 H GLY 27 H GLY 27 -4.183 3.653 -5.558 199 1HA GLY 27 2HA GLY 27 -6.283 5.459 -4.794 200 2HA GLY 27 3HA GLY 27 -6.336 3.689 -4.716 201 H LEU 28 H LEU 28 -4.299 3.124 -2.997 202 HA LEU 28 HA LEU 28 -5.369 3.348 -0.381 203 1HB LEU 28 2HB LEU 28 -4.040 1.585 -1.207 204 2HB LEU 28 3HB LEU 28 -2.656 2.653 -1.428 205 HG LEU 28 HG LEU 28 -3.892 2.004 1.283 206 1HD1 LEU 28 1HD1 LEU 28 -1.820 0.480 1.366 207 2HD1 LEU 28 2HD1 LEU 28 -3.196 -0.041 0.369 208 3HD1 LEU 28 3HD1 LEU 28 -1.763 0.667 -0.392 209 1HD2 LEU 28 1HD2 LEU 28 -2.556 3.982 1.467 210 2HD2 LEU 28 2HD2 LEU 28 -1.408 2.697 1.853 211 3HD2 LEU 28 3HD2 LEU 28 -1.377 3.429 0.253 212 H LYS 29 H LYS 29 -2.750 5.293 -1.981 213 HA LYS 29 HA LYS 29 -2.292 6.986 0.194 214 1HB LYS 29 2HB LYS 29 -1.035 6.878 -2.008 215 2HB LYS 29 3HB LYS 29 -2.304 7.921 -2.670 216 1HG LYS 29 2HG LYS 29 -1.676 9.381 -0.436 217 2HG LYS 29 3HG LYS 29 -0.170 8.511 -0.617 218 1HD LYS 29 2HD LYS 29 -1.600 10.120 -2.786 219 2HD LYS 29 3HD LYS 29 -0.326 10.786 -1.762 220 1HE LYS 29 2HE LYS 29 1.369 9.621 -2.767 221 2HE LYS 29 3HE LYS 29 0.378 8.238 -3.217 222 1HZ LYS 29 1HZ LYS 29 1.093 9.564 -5.069 223 2HZ LYS 29 2HZ LYS 29 -0.558 9.549 -4.959 224 3HZ LYS 29 3HZ LYS 29 0.304 10.884 -4.492 225 H ARG 30 H ARG 30 -5.082 7.005 -2.004 226 HA ARG 30 HA ARG 30 -5.868 9.712 -1.309 227 1HB ARG 30 2HB ARG 30 -6.822 7.590 -3.105 228 2HB ARG 30 3HB ARG 30 -8.157 8.327 -2.247 229 1HG ARG 30 2HG ARG 30 -6.031 9.750 -3.900 230 2HG ARG 30 3HG ARG 30 -7.679 9.356 -4.406 231 1HD ARG 30 2HD ARG 30 -8.304 11.413 -3.664 232 2HD ARG 30 3HD ARG 30 -8.184 10.725 -2.059 233 HE ARG 30 HE ARG 30 -6.353 12.010 -1.622 234 1HH1 ARG 30 2HH2 ARG 30 -6.736 11.772 -5.098 235 2HH1 ARG 30 1HH2 ARG 30 -5.590 13.013 -5.508 236 1HH2 ARG 30 2HH1 ARG 30 -4.758 13.639 -2.088 237 2HH2 ARG 30 1HH1 ARG 30 -4.416 14.089 -3.725 238 H MET 31 H MET 31 -5.818 6.935 0.618 239 HA MET 31 HA MET 31 -8.460 7.244 1.759 240 1HB MET 31 2HB MET 31 -6.055 5.608 2.670 241 2HB MET 31 3HB MET 31 -7.712 5.390 3.238 242 1HG MET 31 2HG MET 31 -6.834 5.093 0.330 243 2HG MET 31 3HG MET 31 -7.047 3.774 1.449 244 1HE MET 31 1HE MET 31 -9.793 3.687 -1.405 245 2HE MET 31 2HE MET 31 -8.430 4.786 -1.618 246 3HE MET 31 3HE MET 31 -8.142 3.176 -0.913 247 HA PRO 32 HA PRO 32 -7.509 10.257 4.864 248 1HB PRO 32 2HB PRO 32 -8.923 9.351 7.057 249 2HB PRO 32 3HB PRO 32 -9.672 10.150 5.647 250 1HG PRO 32 2HG PRO 32 -9.412 7.179 6.156 251 2HG PRO 32 3HG PRO 32 -10.880 8.078 5.666 252 1HD PRO 32 2HD PRO 32 -9.389 6.777 3.847 253 2HD PRO 32 3HD PRO 32 -10.026 8.397 3.449 254 H GLY 33 H GLY 33 -5.886 10.493 6.393 255 1HA GLY 33 2HA GLY 33 -4.307 9.871 7.934 256 2HA GLY 33 3HA GLY 33 -4.795 8.169 7.768 257 H VAL 34 H VAL 34 -4.273 8.938 4.585 258 HA VAL 34 HA VAL 34 -1.396 8.216 4.834 259 HB VAL 34 HB VAL 34 -3.259 7.617 2.519 260 1HG1 VAL 34 1HG1 VAL 34 -0.384 6.878 3.254 261 2HG1 VAL 34 2HG1 VAL 34 -1.297 6.068 1.977 262 3HG1 VAL 34 3HG1 VAL 34 -0.927 7.802 1.854 263 1HG2 VAL 34 1HG2 VAL 34 -4.000 6.301 4.439 264 2HG2 VAL 34 2HG2 VAL 34 -3.100 5.255 3.343 265 3HG2 VAL 34 3HG2 VAL 34 -2.325 5.853 4.825 266 H THR 35 H THR 35 0.082 9.484 3.896 267 HA THR 35 HA THR 35 -0.886 12.008 2.643 268 HB THR 35 HB THR 35 1.401 11.332 4.391 269 HG1 THR 35 1HG THR 35 -0.091 12.114 5.705 270 1HG2 THR 35 1HG2 THR 35 2.504 12.637 2.789 271 2HG2 THR 35 2HG2 THR 35 1.098 13.709 2.543 272 3HG2 THR 35 3HG2 THR 35 2.038 13.793 4.046 273 H ASP 36 H ASP 36 1.731 9.449 2.334 274 HA ASP 36 HA ASP 36 1.622 9.911 -0.517 275 1HB ASP 36 2HB ASP 36 3.642 11.233 0.765 276 2HB ASP 36 3HB ASP 36 4.434 9.692 0.398 277 H ALA 37 H ALA 37 3.023 8.270 -1.645 278 HA ALA 37 HA ALA 37 3.422 5.777 -0.298 279 1HB ALA 37 1HB ALA 37 0.887 5.798 -0.339 280 2HB ALA 37 2HB ALA 37 0.984 5.713 -2.114 281 3HB ALA 37 3HB ALA 37 1.640 4.399 -1.117 282 H ASN 38 H ASN 38 4.438 4.126 -1.511 283 HA ASN 38 HA ASN 38 5.293 4.850 -4.248 284 1HB ASN 38 2HB ASN 38 7.701 4.386 -2.823 285 2HB ASN 38 3HB ASN 38 7.159 5.842 -3.631 286 1HD2 ASN 38 1HD2 ASN 38 6.192 4.287 -0.486 287 2HD2 ASN 38 2HD2 ASN 38 6.587 5.723 0.455 288 H VAL 39 H VAL 39 4.789 2.952 -5.165 289 HA VAL 39 HA VAL 39 5.192 0.419 -3.785 290 HB VAL 39 HB VAL 39 3.231 0.711 -5.048 291 1HG1 VAL 39 1HG1 VAL 39 4.980 1.731 -7.279 292 2HG1 VAL 39 2HG1 VAL 39 3.567 0.774 -7.691 293 3HG1 VAL 39 3HG1 VAL 39 3.391 2.247 -6.713 294 1HG2 VAL 39 1HG2 VAL 39 4.241 -1.505 -4.994 295 2HG2 VAL 39 2HG2 VAL 39 3.268 -1.236 -6.447 296 3HG2 VAL 39 3HG2 VAL 39 5.031 -1.169 -6.561 297 H ASN 40 H ASN 40 7.358 -0.175 -3.524 298 HA ASN 40 HA ASN 40 9.324 0.359 -5.652 299 1HB ASN 40 2HB ASN 40 9.901 0.711 -3.292 300 2HB ASN 40 3HB ASN 40 9.585 -0.996 -2.948 301 1HD2 ASN 40 1HD2 ASN 40 11.900 -0.896 -2.153 302 2HD2 ASN 40 2HD2 ASN 40 13.164 -1.127 -3.349 303 H LEU 41 H LEU 41 7.568 -1.059 -6.860 304 HA LEU 41 HA LEU 41 7.996 -3.961 -6.753 305 1HB LEU 41 2HB LEU 41 6.292 -2.022 -8.194 306 2HB LEU 41 3HB LEU 41 6.840 -3.309 -9.229 307 HG LEU 41 HG LEU 41 4.631 -3.629 -8.044 308 1HD1 LEU 41 1HD1 LEU 41 6.747 -5.813 -7.902 309 2HD1 LEU 41 2HD1 LEU 41 4.990 -6.061 -7.825 310 3HD1 LEU 41 3HD1 LEU 41 5.728 -5.408 -9.300 311 1HD2 LEU 41 1HD2 LEU 41 5.708 -3.122 -5.673 312 2HD2 LEU 41 2HD2 LEU 41 4.468 -4.375 -5.874 313 3HD2 LEU 41 3HD2 LEU 41 6.172 -4.823 -5.732 314 H ALA 42 H ALA 42 9.688 -1.334 -8.084 315 HA ALA 42 HA ALA 42 11.112 -2.336 -10.240 316 1HB ALA 42 1HB ALA 42 12.290 -0.973 -7.784 317 2HB ALA 42 2HB ALA 42 13.030 -1.072 -9.391 318 3HB ALA 42 3HB ALA 42 11.537 -0.129 -9.165 319 H THR 43 H THR 43 11.371 -3.285 -6.810 320 HA THR 43 HA THR 43 12.886 -5.673 -7.728 321 HB THR 43 HB THR 43 14.193 -4.541 -6.145 322 HG1 THR 43 1HG THR 43 14.084 -6.834 -6.124 323 1HG2 THR 43 1HG2 THR 43 12.159 -4.922 -3.929 324 2HG2 THR 43 2HG2 THR 43 13.697 -4.075 -3.904 325 3HG2 THR 43 3HG2 THR 43 12.346 -3.379 -4.810 326 H GLU 44 H GLU 44 10.585 -5.045 -5.040 327 HA GLU 44 HA GLU 44 8.397 -6.430 -6.072 328 1HB GLU 44 2HB GLU 44 10.385 -8.345 -5.635 329 2HB GLU 44 3HB GLU 44 9.535 -8.387 -4.119 330 1HG GLU 44 2HG GLU 44 7.374 -8.582 -5.496 331 2HG GLU 44 3HG GLU 44 8.407 -8.751 -6.934 332 H THR 45 H THR 45 9.023 -4.140 -4.242 333 HA THR 45 HA THR 45 7.864 -5.048 -1.650 334 HB THR 45 HB THR 45 10.224 -3.227 -2.308 335 HG1 THR 45 1HG THR 45 10.052 -5.857 -1.257 336 1HG2 THR 45 1HG2 THR 45 9.237 -2.434 -0.252 337 2HG2 THR 45 2HG2 THR 45 9.109 -4.101 0.379 338 3HG2 THR 45 3HG2 THR 45 10.700 -3.351 0.127 339 H VAL 46 H VAL 46 7.004 -3.121 -0.396 340 HA VAL 46 HA VAL 46 6.110 -0.849 -2.116 341 HB VAL 46 HB VAL 46 4.232 -2.248 -2.256 342 1HG1 VAL 46 1HG1 VAL 46 3.260 -3.425 -0.246 343 2HG1 VAL 46 2HG1 VAL 46 4.826 -4.059 -0.752 344 3HG1 VAL 46 3HG1 VAL 46 4.743 -2.966 0.631 345 1HG2 VAL 46 1HG2 VAL 46 2.535 -1.302 -0.809 346 2HG2 VAL 46 2HG2 VAL 46 3.726 -0.620 0.286 347 3HG2 VAL 46 3HG2 VAL 46 3.619 -0.005 -1.382 348 H ASN 47 H ASN 47 5.882 1.145 -0.994 349 HA ASN 47 HA ASN 47 6.347 1.066 1.916 350 1HB ASN 47 2HB ASN 47 7.745 2.771 -0.198 351 2HB ASN 47 3HB ASN 47 7.589 3.314 1.477 352 1HD2 ASN 47 1HD2 ASN 47 8.368 1.688 3.193 353 2HD2 ASN 47 2HD2 ASN 47 9.973 1.073 2.832 354 H VAL 48 H VAL 48 5.080 2.663 3.033 355 HA VAL 48 HA VAL 48 3.300 4.341 1.374 356 HB VAL 48 HB VAL 48 2.330 2.617 3.678 357 1HG1 VAL 48 1HG1 VAL 48 1.239 4.905 3.286 358 2HG1 VAL 48 2HG1 VAL 48 0.769 4.321 1.684 359 3HG1 VAL 48 3HG1 VAL 48 0.158 3.522 3.148 360 1HG2 VAL 48 1HG2 VAL 48 2.677 1.141 1.762 361 2HG2 VAL 48 2HG2 VAL 48 0.950 1.444 1.961 362 3HG2 VAL 48 3HG2 VAL 48 1.849 2.286 0.685 363 H ILE 49 H ILE 49 3.307 6.364 2.213 364 HA ILE 49 HA ILE 49 4.804 6.789 4.710 365 HB ILE 49 HB ILE 49 4.197 8.830 2.541 366 1HG1 ILE 49 2HG1 ILE 49 5.438 7.160 1.386 367 2HG1 ILE 49 3HG1 ILE 49 6.463 8.553 1.687 368 1HG2 ILE 49 1HG2 ILE 49 6.116 10.028 3.560 369 2HG2 ILE 49 2HG2 ILE 49 4.762 9.807 4.677 370 3HG2 ILE 49 3HG2 ILE 49 6.200 8.785 4.826 371 1HD1 ILE 49 1HD1 ILE 49 7.729 6.504 2.052 372 2HD1 ILE 49 2HD1 ILE 49 7.547 7.365 3.583 373 3HD1 ILE 49 3HD1 ILE 49 6.552 5.930 3.243 374 H TYR 50 H TYR 50 3.169 6.758 6.295 375 HA TYR 50 HA TYR 50 0.670 8.325 5.756 376 1HB TYR 50 2HB TYR 50 -0.719 6.617 6.585 377 2HB TYR 50 3HB TYR 50 0.165 6.029 5.219 378 HD1 TYR 50 HD1 TYR 50 0.908 3.814 5.362 379 HD2 TYR 50 HD2 TYR 50 0.255 6.021 8.998 380 HE1 TYR 50 HE1 TYR 50 0.862 1.715 6.654 381 HE2 TYR 50 HE2 TYR 50 0.584 3.981 10.304 382 HH TYR 50 HH TYR 50 1.110 1.661 10.147 383 H ASP 51 H ASP 51 -0.592 8.641 7.641 384 HA ASP 51 HA ASP 51 1.145 9.542 9.825 385 1HB ASP 51 2HB ASP 51 -1.736 10.205 9.195 386 2HB ASP 51 3HB ASP 51 -0.679 10.922 10.432 387 HA PRO 52 HA PRO 52 -0.475 5.756 11.775 388 1HB PRO 52 2HB PRO 52 1.262 5.430 13.838 389 2HB PRO 52 3HB PRO 52 1.742 5.178 12.137 390 1HG PRO 52 2HG PRO 52 2.051 7.728 13.757 391 2HG PRO 52 3HG PRO 52 3.335 6.824 12.910 392 1HD PRO 52 2HD PRO 52 2.114 8.893 11.737 393 2HD PRO 52 3HD PRO 52 2.436 7.429 10.762 394 H ALA 53 H ALA 53 -1.150 8.812 12.681 395 HA ALA 53 HA ALA 53 -2.265 8.206 15.356 396 1HB ALA 53 1HB ALA 53 -2.973 10.560 15.260 397 2HB ALA 53 2HB ALA 53 -1.219 10.417 15.024 398 3HB ALA 53 3HB ALA 53 -2.284 10.721 13.632 399 H GLU 54 H GLU 54 -2.925 8.283 11.896 400 HA GLU 54 HA GLU 54 -5.843 8.078 12.404 401 1HB GLU 54 2HB GLU 54 -4.282 9.732 10.541 402 2HB GLU 54 3HB GLU 54 -5.401 8.640 9.706 403 1HG GLU 54 2HG GLU 54 -7.301 9.425 10.955 404 2HG GLU 54 3HG GLU 54 -6.262 10.553 11.851 405 H THR 55 H THR 55 -3.193 6.976 10.210 406 HA THR 55 HA THR 55 -4.574 4.355 10.037 407 HB THR 55 HB THR 55 -2.920 3.810 8.143 408 HG1 THR 55 1HG THR 55 -2.975 6.605 8.083 409 1HG2 THR 55 1HG2 THR 55 -4.481 4.772 6.584 410 2HG2 THR 55 2HG2 THR 55 -5.239 3.957 7.980 411 3HG2 THR 55 3HG2 THR 55 -5.228 5.739 7.887 412 H GLY 56 H GLY 56 -2.021 2.883 9.584 413 1HA GLY 56 2HA GLY 56 -0.593 2.017 11.518 414 2HA GLY 56 3HA GLY 56 -2.016 2.384 12.503 415 H THR 57 H THR 57 -0.957 0.765 9.813 416 HA THR 57 HA THR 57 -1.625 -0.138 8.048 417 HB THR 57 HB THR 57 -1.397 -2.646 8.322 418 HG1 THR 57 1HG THR 57 -0.976 -3.366 10.438 419 1HG2 THR 57 1HG2 THR 57 0.669 -1.052 9.895 420 2HG2 THR 57 2HG2 THR 57 0.898 -2.622 9.109 421 3HG2 THR 57 3HG2 THR 57 0.618 -1.178 8.120 422 H ALA 58 H ALA 58 -3.937 -0.816 10.543 423 HA ALA 58 HA ALA 58 -6.022 -2.135 9.666 424 1HB ALA 58 1HB ALA 58 -5.915 0.775 10.542 425 2HB ALA 58 2HB ALA 58 -7.388 -0.232 10.618 426 3HB ALA 58 3HB ALA 58 -5.961 -0.631 11.609 427 H ALA 59 H ALA 59 -5.358 1.122 8.275 428 HA ALA 59 HA ALA 59 -7.909 0.767 6.761 429 1HB ALA 59 1HB ALA 59 -7.689 2.905 5.838 430 2HB ALA 59 2HB ALA 59 -7.205 3.056 7.533 431 3HB ALA 59 3HB ALA 59 -5.975 3.003 6.215 432 H ILE 60 H ILE 60 -4.469 0.798 6.195 433 HA ILE 60 HA ILE 60 -4.427 0.466 3.398 434 HB ILE 60 HB ILE 60 -2.532 -0.049 5.735 435 1HG1 ILE 60 2HG1 ILE 60 -1.126 1.355 3.996 436 2HG1 ILE 60 3HG1 ILE 60 -2.700 1.634 3.256 437 1HG2 ILE 60 1HG2 ILE 60 -0.757 -0.836 4.272 438 2HG2 ILE 60 2HG2 ILE 60 -2.041 -2.021 4.443 439 3HG2 ILE 60 3HG2 ILE 60 -1.929 -1.073 2.950 440 1HD1 ILE 60 1HD1 ILE 60 -3.462 2.676 5.413 441 2HD1 ILE 60 2HD1 ILE 60 -1.911 2.231 6.170 442 3HD1 ILE 60 3HD1 ILE 60 -1.954 3.431 4.871 443 H GLN 61 H GLN 61 -4.534 -2.026 6.007 444 HA GLN 61 HA GLN 61 -4.384 -4.197 4.129 445 1HB GLN 61 2HB GLN 61 -4.719 -3.938 7.020 446 2HB GLN 61 3HB GLN 61 -5.855 -5.098 6.330 447 1HG GLN 61 2HG GLN 61 -4.071 -6.431 6.862 448 2HG GLN 61 3HG GLN 61 -3.918 -6.212 5.121 449 1HE2 GLN 61 1HE2 GLN 61 -2.889 -3.268 6.048 450 2HE2 GLN 61 2HE2 GLN 61 -1.204 -3.629 6.373 451 H GLU 62 H GLU 62 -7.136 -2.586 5.802 452 HA GLU 62 HA GLU 62 -9.260 -4.005 4.728 453 1HB GLU 62 2HB GLU 62 -8.835 -1.312 5.901 454 2HB GLU 62 3HB GLU 62 -10.087 -1.277 4.666 455 1HG GLU 62 2HG GLU 62 -10.063 -3.206 7.006 456 2HG GLU 62 3HG GLU 62 -11.023 -1.720 6.897 457 H LYS 63 H LYS 63 -7.732 -1.074 3.257 458 HA LYS 63 HA LYS 63 -9.349 -1.291 0.944 459 1HB LYS 63 2HB LYS 63 -6.921 0.292 1.801 460 2HB LYS 63 3HB LYS 63 -7.573 0.422 0.197 461 1HG LYS 63 2HG LYS 63 -9.236 0.843 2.737 462 2HG LYS 63 3HG LYS 63 -8.354 2.106 1.899 463 1HD LYS 63 2HD LYS 63 -10.559 2.377 1.259 464 2HD LYS 63 3HD LYS 63 -9.706 1.725 -0.154 465 1HE LYS 63 2HE LYS 63 -10.857 -0.279 -0.110 466 2HE LYS 63 3HE LYS 63 -11.319 -0.122 1.613 467 1HZ LYS 63 1HZ LYS 63 -13.137 0.244 0.104 468 2HZ LYS 63 2HZ LYS 63 -12.816 1.630 0.924 469 3HZ LYS 63 3HZ LYS 63 -12.348 1.470 -0.649 470 H ILE 64 H ILE 64 -6.078 -2.406 1.696 471 HA ILE 64 HA ILE 64 -5.081 -3.121 -0.732 472 HB ILE 64 HB ILE 64 -4.783 -3.921 2.035 473 1HG1 ILE 64 2HG1 ILE 64 -3.351 -2.354 0.707 474 2HG1 ILE 64 3HG1 ILE 64 -2.529 -3.587 1.662 475 1HG2 ILE 64 1HG2 ILE 64 -4.219 -6.034 0.022 476 2HG2 ILE 64 2HG2 ILE 64 -3.408 -5.923 1.607 477 3HG2 ILE 64 3HG2 ILE 64 -5.149 -6.136 1.541 478 1HD1 ILE 64 1HD1 ILE 64 -2.226 -4.992 -0.314 479 2HD1 ILE 64 2HD1 ILE 64 -3.066 -3.798 -1.320 480 3HD1 ILE 64 3HD1 ILE 64 -1.513 -3.382 -0.555 481 H GLU 65 H GLU 65 -7.190 -5.020 1.511 482 HA GLU 65 HA GLU 65 -7.821 -7.229 -0.135 483 1HB GLU 65 2HB GLU 65 -9.233 -5.879 2.193 484 2HB GLU 65 3HB GLU 65 -9.914 -7.293 1.393 485 1HG GLU 65 2HG GLU 65 -7.053 -7.407 2.331 486 2HG GLU 65 3HG GLU 65 -8.360 -7.548 3.512 487 H LYS 66 H LYS 66 -9.845 -4.296 0.480 488 HA LYS 66 HA LYS 66 -11.865 -5.064 -1.366 489 1HB LYS 66 2HB LYS 66 -11.100 -2.490 -0.022 490 2HB LYS 66 3HB LYS 66 -12.229 -2.423 -1.381 491 1HG LYS 66 2HG LYS 66 -13.584 -2.556 0.530 492 2HG LYS 66 3HG LYS 66 -13.661 -4.142 -0.239 493 1HD LYS 66 2HD LYS 66 -11.953 -4.963 1.445 494 2HD LYS 66 3HD LYS 66 -11.993 -3.355 2.201 495 1HE LYS 66 2HE LYS 66 -14.423 -3.609 2.635 496 2HE LYS 66 3HE LYS 66 -14.382 -5.236 1.917 497 1HZ LYS 66 1HZ LYS 66 -12.773 -5.811 3.709 498 2HZ LYS 66 2HZ LYS 66 -12.922 -4.322 4.320 499 3HZ LYS 66 3HZ LYS 66 -14.214 -5.309 4.325 500 H LEU 67 H LEU 67 -8.838 -3.389 -2.001 501 HA LEU 67 HA LEU 67 -9.470 -2.575 -4.701 502 1HB LEU 67 2HB LEU 67 -6.894 -2.848 -3.137 503 2HB LEU 67 3HB LEU 67 -6.934 -2.316 -4.818 504 HG LEU 67 HG LEU 67 -8.673 -0.911 -2.765 505 1HD1 LEU 67 1HD1 LEU 67 -5.794 -0.190 -3.404 506 2HD1 LEU 67 2HD1 LEU 67 -6.908 0.713 -2.364 507 3HD1 LEU 67 3HD1 LEU 67 -6.336 -0.894 -1.881 508 1HD2 LEU 67 1HD2 LEU 67 -8.401 0.987 -4.319 509 2HD2 LEU 67 2HD2 LEU 67 -7.339 0.013 -5.353 510 3HD2 LEU 67 3HD2 LEU 67 -9.053 -0.414 -5.180 511 H GLY 68 H GLY 68 -8.733 -5.624 -3.252 512 1HA GLY 68 2HA GLY 68 -8.974 -7.651 -4.320 513 2HA GLY 68 3HA GLY 68 -8.705 -6.909 -5.903 514 H TYR 69 H TYR 69 -6.729 -6.686 -2.878 515 HA TYR 69 HA TYR 69 -4.491 -8.148 -4.190 516 1HB TYR 69 2HB TYR 69 -4.739 -5.259 -3.671 517 2HB TYR 69 3HB TYR 69 -3.387 -5.947 -2.802 518 HD1 TYR 69 HD1 TYR 69 -4.924 -5.692 -6.196 519 HD2 TYR 69 HD2 TYR 69 -1.391 -6.639 -3.913 520 HE1 TYR 69 HE1 TYR 69 -3.605 -5.693 -8.252 521 HE2 TYR 69 HE2 TYR 69 -0.044 -6.548 -5.968 522 HH TYR 69 HH TYR 69 -1.529 -6.323 -9.165 523 H HIS 70 H HIS 70 -2.674 -8.434 -2.543 524 HA HIS 70 HA HIS 70 -3.394 -8.078 0.205 525 1HB HIS 70 2HB HIS 70 -4.274 -10.458 -0.672 526 2HB HIS 70 3HB HIS 70 -2.589 -10.913 -0.409 527 HD1 HIS 70 1HD HIS 70 -4.707 -8.569 1.862 528 HD2 HIS 70 2HD HIS 70 -3.251 -12.500 1.674 529 HE1 HIS 70 1HE HIS 70 -5.117 -9.597 4.147 530 H VAL 71 H VAL 71 -1.544 -7.926 1.508 531 HA VAL 71 HA VAL 71 1.060 -7.931 0.101 532 HB VAL 71 HB VAL 71 1.679 -6.605 2.213 533 1HG1 VAL 71 1HG1 VAL 71 0.860 -4.450 1.200 534 2HG1 VAL 71 2HG1 VAL 71 1.635 -5.542 0.040 535 3HG1 VAL 71 3HG1 VAL 71 -0.123 -5.420 0.085 536 1HG2 VAL 71 1HG2 VAL 71 0.016 -5.353 3.376 537 2HG2 VAL 71 2HG2 VAL 71 -1.284 -6.015 2.384 538 3HG2 VAL 71 3HG2 VAL 71 -0.397 -7.069 3.510 539 H VAL 72 H VAL 72 2.859 -8.575 1.579 540 HA VAL 72 HA VAL 72 2.102 -10.819 3.388 541 HB VAL 72 HB VAL 72 4.455 -10.830 1.564 542 1HG1 VAL 72 1HG1 VAL 72 4.534 -13.242 2.190 543 2HG1 VAL 72 2HG1 VAL 72 4.713 -12.207 3.609 544 3HG1 VAL 72 3HG1 VAL 72 3.157 -12.996 3.281 545 1HG2 VAL 72 1HG2 VAL 72 3.196 -12.609 0.297 546 2HG2 VAL 72 2HG2 VAL 72 1.750 -12.200 1.242 547 3HG2 VAL 72 3HG2 VAL 72 2.473 -11.006 0.142 548 H ILE 73 H ILE 73 3.324 -10.988 5.212 549 HA ILE 73 HA ILE 73 5.194 -8.758 5.893 550 HB ILE 73 HB ILE 73 3.116 -9.964 7.714 551 1HG1 ILE 73 2HG1 ILE 73 2.039 -8.559 5.968 552 2HG1 ILE 73 3HG1 ILE 73 1.945 -7.943 7.605 553 1HG2 ILE 73 1HG2 ILE 73 5.089 -9.208 8.932 554 2HG2 ILE 73 2HG2 ILE 73 5.124 -7.682 8.048 555 3HG2 ILE 73 3HG2 ILE 73 3.796 -8.038 9.179 556 1HD1 ILE 73 1HD1 ILE 73 2.383 -6.189 5.867 557 2HD1 ILE 73 2HD1 ILE 73 3.540 -6.207 7.207 558 3HD1 ILE 73 3HD1 ILE 73 3.988 -6.909 5.642 559 H GLU 74 H GLU 74 6.810 -10.505 5.129 560 HA GLU 74 HA GLU 74 7.174 -12.698 6.826 561 1HB GLU 74 2HB GLU 74 8.861 -11.413 4.666 562 2HB GLU 74 3HB GLU 74 9.339 -12.826 5.583 563 1HG GLU 74 2HG GLU 74 7.049 -13.859 4.848 564 2HG GLU 74 3HG GLU 74 7.046 -12.578 3.619 565 H GLY 75 H GLY 75 7.565 -9.634 7.524 566 1HA GLY 75 2HA GLY 75 10.258 -9.613 8.710 567 2HA GLY 75 3HA GLY 75 9.145 -8.251 8.567 568 H ARG 76 H ARG 76 6.862 -9.366 9.916 569 HA ARG 76 HA ARG 76 7.820 -9.403 12.697 570 1HB ARG 76 2HB ARG 76 7.089 -7.105 11.574 571 2HB ARG 76 3HB ARG 76 5.457 -7.712 11.812 572 1HG ARG 76 2HG ARG 76 7.558 -7.346 14.016 573 2HG ARG 76 3HG ARG 76 6.389 -6.120 13.528 574 1HD ARG 76 2HD ARG 76 5.483 -7.132 15.499 575 2HD ARG 76 3HD ARG 76 4.514 -7.639 14.120 576 HE ARG 76 HE ARG 76 5.346 -9.813 14.213 577 1HH1 ARG 76 2HH2 ARG 76 6.945 -7.971 16.762 578 2HH1 ARG 76 1HH2 ARG 76 7.927 -9.316 17.269 579 1HH2 ARG 76 2HH1 ARG 76 6.657 -11.347 14.622 580 2HH2 ARG 76 1HH1 ARG 76 7.694 -11.435 16.048 Start of MODEL 10 1 1H MET 1 H1 MET 1 3.084 16.859 13.033 2 2H MET 1 H2 MET 1 4.453 17.756 13.320 3 3H MET 1 H3 MET 1 3.702 16.896 14.526 4 HA MET 1 HA MET 1 3.223 19.148 14.900 5 1HB MET 1 2HB MET 1 2.121 19.045 12.065 6 2HB MET 1 3HB MET 1 1.715 20.319 13.229 7 1HG MET 1 2HG MET 1 3.589 21.430 12.908 8 2HG MET 1 3HG MET 1 4.604 20.008 13.114 9 1HE MET 1 1HE MET 1 5.398 22.435 11.268 10 2HE MET 1 2HE MET 1 6.394 20.972 11.483 11 3HE MET 1 3HE MET 1 6.017 21.562 9.847 12 H LEU 2 H LEU 2 0.191 19.062 13.492 13 HA LEU 2 HA LEU 2 -1.083 17.698 15.658 14 1HB LEU 2 2HB LEU 2 -3.055 17.659 14.213 15 2HB LEU 2 3HB LEU 2 -2.372 19.265 14.397 16 HG LEU 2 HG LEU 2 -1.390 17.809 11.974 17 1HD1 LEU 2 1HD1 LEU 2 -3.475 18.128 10.715 18 2HD1 LEU 2 2HD1 LEU 2 -3.678 16.947 12.017 19 3HD1 LEU 2 3HD1 LEU 2 -4.317 18.596 12.208 20 1HD2 LEU 2 1HD2 LEU 2 -1.841 19.961 10.908 21 2HD2 LEU 2 2HD2 LEU 2 -2.692 20.539 12.354 22 3HD2 LEU 2 3HD2 LEU 2 -0.945 20.242 12.407 23 H SER 3 H SER 3 0.341 16.623 12.624 24 HA SER 3 HA SER 3 -0.259 13.801 13.246 25 1HB SER 3 2HB SER 3 -0.052 15.207 10.531 26 2HB SER 3 3HB SER 3 -0.389 13.495 10.765 27 HG SER 3 HG SER 3 -2.308 14.087 11.836 28 H GLU 4 H GLU 4 1.386 12.405 12.466 29 HA GLU 4 HA GLU 4 4.114 13.466 11.986 30 1HB GLU 4 2HB GLU 4 3.025 11.199 13.576 31 2HB GLU 4 3HB GLU 4 4.481 10.888 12.676 32 1HG GLU 4 2HG GLU 4 5.269 13.116 13.771 33 2HG GLU 4 3HG GLU 4 3.978 12.772 14.910 34 H GLN 5 H GLN 5 5.329 11.637 10.626 35 HA GLN 5 HA GLN 5 3.543 10.099 8.858 36 1HB GLN 5 2HB GLN 5 5.937 11.822 8.142 37 2HB GLN 5 3HB GLN 5 5.255 10.683 7.007 38 1HG GLN 5 2HG GLN 5 3.708 13.031 8.267 39 2HG GLN 5 3HG GLN 5 4.582 13.091 6.773 40 1HE2 GLN 5 1HE2 GLN 5 3.442 9.975 6.597 41 2HE2 GLN 5 2HE2 GLN 5 1.909 10.304 5.838 42 H LYS 6 H LYS 6 4.482 8.082 8.356 43 HA LYS 6 HA LYS 6 7.354 7.779 8.626 44 1HB LYS 6 2HB LYS 6 5.488 5.828 10.049 45 2HB LYS 6 3HB LYS 6 7.212 5.563 9.720 46 1HG LYS 6 2HG LYS 6 7.671 7.763 10.926 47 2HG LYS 6 3HG LYS 6 5.991 7.710 11.491 48 1HD LYS 6 2HD LYS 6 6.493 5.487 12.561 49 2HD LYS 6 3HD LYS 6 8.178 5.653 12.007 50 1HE LYS 6 2HE LYS 6 8.327 7.859 13.232 51 2HE LYS 6 3HE LYS 6 6.683 7.627 13.835 52 1HZ LYS 6 1HZ LYS 6 8.997 5.904 14.421 53 2HZ LYS 6 2HZ LYS 6 8.304 7.002 15.434 54 3HZ LYS 6 3HZ LYS 6 7.462 5.663 14.982 55 H GLU 7 H GLU 7 8.154 5.987 7.482 56 HA GLU 7 HA GLU 7 6.623 5.445 5.023 57 1HB GLU 7 2HB GLU 7 9.634 5.309 5.286 58 2HB GLU 7 3HB GLU 7 8.588 5.640 3.910 59 1HG GLU 7 2HG GLU 7 9.618 7.690 4.392 60 2HG GLU 7 3HG GLU 7 8.065 7.891 5.216 61 H ILE 8 H ILE 8 5.678 3.478 5.725 62 HA ILE 8 HA ILE 8 7.375 1.471 7.027 63 HB ILE 8 HB ILE 8 4.498 1.480 6.277 64 1HG1 ILE 8 2HG1 ILE 8 4.151 1.586 8.821 65 2HG1 ILE 8 3HG1 ILE 8 5.883 1.859 9.014 66 1HG2 ILE 8 1HG2 ILE 8 5.269 -0.730 6.453 67 2HG2 ILE 8 2HG2 ILE 8 6.164 -0.306 7.962 68 3HG2 ILE 8 3HG2 ILE 8 4.372 -0.334 7.931 69 1HD1 ILE 8 1HD1 ILE 8 5.714 4.010 8.214 70 2HD1 ILE 8 2HD1 ILE 8 4.215 3.672 7.301 71 3HD1 ILE 8 3HD1 ILE 8 4.175 3.818 9.079 72 H ALA 9 H ALA 9 7.277 -0.729 6.017 73 HA ALA 9 HA ALA 9 7.422 -0.701 3.054 74 1HB ALA 9 1HB ALA 9 9.489 -2.020 3.154 75 2HB ALA 9 2HB ALA 9 9.736 -0.446 3.941 76 3HB ALA 9 3HB ALA 9 9.505 -1.902 4.927 77 H MET 10 H MET 10 6.476 -2.578 2.193 78 HA MET 10 HA MET 10 6.244 -4.963 3.935 79 1HB MET 10 2HB MET 10 3.834 -4.003 2.359 80 2HB MET 10 3HB MET 10 3.961 -5.343 3.486 81 1HG MET 10 2HG MET 10 2.736 -3.781 4.593 82 2HG MET 10 3HG MET 10 4.328 -3.635 5.336 83 1HE MET 10 1HE MET 10 2.470 -0.117 5.478 84 2HE MET 10 2HE MET 10 1.580 -1.642 5.285 85 3HE MET 10 3HE MET 10 2.961 -1.558 6.401 86 H GLN 11 H GLN 11 5.336 -6.799 2.585 87 HA GLN 11 HA GLN 11 6.578 -6.975 -0.091 88 1HB GLN 11 2HB GLN 11 6.235 -8.795 2.145 89 2HB GLN 11 3HB GLN 11 5.300 -9.419 0.794 90 1HG GLN 11 2HG GLN 11 8.217 -8.610 0.463 91 2HG GLN 11 3HG GLN 11 7.720 -10.194 1.076 92 1HE2 GLN 11 1HE2 GLN 11 7.716 -8.119 -1.806 93 2HE2 GLN 11 2HE2 GLN 11 7.025 -9.271 -2.906 94 H VAL 12 H VAL 12 5.190 -8.033 -1.774 95 HA VAL 12 HA VAL 12 2.316 -7.223 -1.553 96 HB VAL 12 HB VAL 12 4.212 -7.052 -3.938 97 1HG1 VAL 12 1HG1 VAL 12 1.248 -6.389 -3.668 98 2HG1 VAL 12 2HG1 VAL 12 2.267 -5.887 -5.031 99 3HG1 VAL 12 3HG1 VAL 12 1.985 -7.603 -4.744 100 1HG2 VAL 12 1HG2 VAL 12 3.750 -4.590 -3.742 101 2HG2 VAL 12 2HG2 VAL 12 2.893 -4.903 -2.221 102 3HG2 VAL 12 3HG2 VAL 12 4.638 -5.232 -2.357 103 H SER 13 H SER 13 0.798 -8.706 -2.580 104 HA SER 13 HA SER 13 1.915 -11.001 -4.028 105 1HB SER 13 2HB SER 13 0.175 -11.283 -1.542 106 2HB SER 13 3HB SER 13 0.582 -12.603 -2.650 107 HG SER 13 HG SER 13 2.844 -11.347 -1.911 108 H GLY 14 H GLY 14 0.230 -12.185 -5.143 109 1HA GLY 14 2HA GLY 14 -1.661 -12.348 -6.446 110 2HA GLY 14 3HA GLY 14 -2.472 -11.200 -5.369 111 H MET 15 H MET 15 0.017 -11.369 -7.992 112 HA MET 15 HA MET 15 -0.976 -8.865 -9.157 113 1HB MET 15 2HB MET 15 1.237 -7.842 -9.152 114 2HB MET 15 3HB MET 15 0.753 -8.223 -7.495 115 1HG MET 15 2HG MET 15 2.962 -8.902 -7.508 116 2HG MET 15 3HG MET 15 2.120 -10.416 -7.823 117 1HE MET 15 1HE MET 15 5.084 -11.307 -9.981 118 2HE MET 15 2HE MET 15 4.917 -10.811 -8.277 119 3HE MET 15 3HE MET 15 3.723 -11.916 -9.013 120 H THR 16 H THR 16 -0.263 -8.590 -11.345 121 HA THR 16 HA THR 16 0.839 -11.003 -12.715 122 HB THR 16 HB THR 16 -0.143 -9.654 -14.719 123 HG1 THR 16 1HG THR 16 -1.837 -8.237 -14.031 124 1HG2 THR 16 1HG2 THR 16 -2.412 -10.570 -14.352 125 2HG2 THR 16 2HG2 THR 16 -1.159 -11.739 -13.901 126 3HG2 THR 16 3HG2 THR 16 -2.031 -10.847 -12.636 127 H CYS 17 H CYS 17 0.693 -7.459 -13.150 128 HA CYS 17 HA CYS 17 3.573 -7.459 -13.948 129 1HB CYS 17 2HB CYS 17 2.984 -5.889 -15.670 130 2HB CYS 17 3HB CYS 17 1.901 -7.281 -15.801 131 H ALA 18 H ALA 18 4.665 -5.412 -13.797 132 HA ALA 18 HA ALA 18 4.290 -4.134 -11.211 133 1HB ALA 18 1HB ALA 18 6.366 -2.956 -11.809 134 2HB ALA 18 2HB ALA 18 6.523 -4.698 -12.091 135 3HB ALA 18 3HB ALA 18 6.272 -3.595 -13.461 136 H ALA 19 H ALA 19 1.998 -3.636 -12.424 137 HA ALA 19 HA ALA 19 2.071 -0.686 -12.847 138 1HB ALA 19 1HB ALA 19 0.445 -0.794 -14.652 139 2HB ALA 19 2HB ALA 19 1.903 -1.697 -15.117 140 3HB ALA 19 3HB ALA 19 0.435 -2.564 -14.606 141 H CYS 20 H CYS 20 -0.142 -3.540 -12.522 142 HA CYS 20 HA CYS 20 -2.231 -2.095 -11.405 143 1HB CYS 20 2HB CYS 20 -1.455 -4.994 -10.802 144 2HB CYS 20 3HB CYS 20 -3.072 -4.277 -10.597 145 H ALA 21 H ALA 21 0.496 -3.606 -9.694 146 HA ALA 21 HA ALA 21 -0.353 -3.014 -7.080 147 1HB ALA 21 1HB ALA 21 1.884 -3.444 -6.408 148 2HB ALA 21 2HB ALA 21 1.517 -4.540 -7.742 149 3HB ALA 21 3HB ALA 21 2.519 -3.100 -8.042 150 H ALA 22 H ALA 22 0.663 -0.756 -9.546 151 HA ALA 22 HA ALA 22 1.411 1.387 -7.698 152 1HB ALA 22 1HB ALA 22 2.161 1.248 -10.120 153 2HB ALA 22 2HB ALA 22 0.479 1.591 -10.588 154 3HB ALA 22 3HB ALA 22 1.392 2.780 -9.651 155 H ARG 23 H ARG 23 -1.444 0.288 -9.556 156 HA ARG 23 HA ARG 23 -3.118 2.549 -9.107 157 1HB ARG 23 2HB ARG 23 -3.818 -0.384 -9.563 158 2HB ARG 23 3HB ARG 23 -4.996 0.924 -9.522 159 1HG ARG 23 2HG ARG 23 -4.081 1.982 -11.454 160 2HG ARG 23 3HG ARG 23 -2.642 0.956 -11.447 161 1HD ARG 23 2HD ARG 23 -3.637 -0.719 -12.546 162 2HD ARG 23 3HD ARG 23 -5.065 -0.718 -11.541 163 HE ARG 23 HE ARG 23 -4.655 0.527 -14.138 164 1HH1 ARG 23 2HH2 ARG 23 -6.541 0.750 -11.187 165 2HH1 ARG 23 1HH2 ARG 23 -7.989 1.359 -11.934 166 1HH2 ARG 23 2HH1 ARG 23 -6.540 1.365 -15.198 167 2HH2 ARG 23 1HH1 ARG 23 -7.961 1.753 -14.286 168 H ILE 24 H ILE 24 -2.778 -0.562 -7.333 169 HA ILE 24 HA ILE 24 -4.715 0.072 -5.406 170 HB ILE 24 HB ILE 24 -3.920 -1.636 -3.992 171 1HG1 ILE 24 2HG1 ILE 24 -1.424 -1.419 -5.595 172 2HG1 ILE 24 3HG1 ILE 24 -1.634 -1.227 -3.840 173 1HG2 ILE 24 1HG2 ILE 24 -5.021 -2.127 -6.274 174 2HG2 ILE 24 2HG2 ILE 24 -3.406 -2.617 -6.823 175 3HG2 ILE 24 3HG2 ILE 24 -4.186 -3.449 -5.458 176 1HD1 ILE 24 1HD1 ILE 24 -2.176 -3.669 -3.690 177 2HD1 ILE 24 2HD1 ILE 24 -1.756 -3.805 -5.416 178 3HD1 ILE 24 3HD1 ILE 24 -0.520 -3.330 -4.244 179 H GLU 25 H GLU 25 -1.175 0.588 -5.134 180 HA GLU 25 HA GLU 25 -1.182 1.959 -2.749 181 1HB GLU 25 2HB GLU 25 0.659 1.422 -4.893 182 2HB GLU 25 3HB GLU 25 0.794 3.146 -4.538 183 1HG GLU 25 2HG GLU 25 2.349 1.593 -3.256 184 2HG GLU 25 3HG GLU 25 1.393 2.688 -2.267 185 H LYS 26 H LYS 26 -1.840 3.372 -5.952 186 HA LYS 26 HA LYS 26 -1.815 6.058 -4.841 187 1HB LYS 26 2HB LYS 26 -2.665 5.042 -7.532 188 2HB LYS 26 3HB LYS 26 -3.053 6.673 -6.979 189 1HG LYS 26 2HG LYS 26 -1.041 6.947 -8.122 190 2HG LYS 26 3HG LYS 26 -0.593 7.042 -6.411 191 1HD LYS 26 2HD LYS 26 0.199 4.670 -6.500 192 2HD LYS 26 3HD LYS 26 -0.435 4.590 -8.137 193 1HE LYS 26 2HE LYS 26 1.897 4.867 -8.427 194 2HE LYS 26 3HE LYS 26 1.210 6.452 -8.775 195 1HZ LYS 26 1HZ LYS 26 1.839 7.105 -6.502 196 2HZ LYS 26 2HZ LYS 26 2.483 5.636 -6.213 197 3HZ LYS 26 3HZ LYS 26 3.138 6.604 -7.366 198 H GLY 27 H GLY 27 -4.443 3.737 -5.695 199 1HA GLY 27 2HA GLY 27 -6.597 5.446 -4.818 200 2HA GLY 27 3HA GLY 27 -6.659 3.687 -4.981 201 H LEU 28 H LEU 28 -4.380 3.257 -3.184 202 HA LEU 28 HA LEU 28 -5.669 2.971 -0.615 203 1HB LEU 28 2HB LEU 28 -4.162 1.430 -1.417 204 2HB LEU 28 3HB LEU 28 -2.863 2.616 -1.570 205 HG LEU 28 HG LEU 28 -4.091 2.234 1.145 206 1HD1 LEU 28 1HD1 LEU 28 -2.337 0.292 -0.407 207 2HD1 LEU 28 2HD1 LEU 28 -2.396 0.282 1.351 208 3HD1 LEU 28 3HD1 LEU 28 -3.891 0.002 0.421 209 1HD2 LEU 28 1HD2 LEU 28 -2.244 3.934 0.544 210 2HD2 LEU 28 2HD2 LEU 28 -1.842 2.820 1.836 211 3HD2 LEU 28 3HD2 LEU 28 -1.195 2.549 0.206 212 H LYS 29 H LYS 29 -3.148 5.224 -1.896 213 HA LYS 29 HA LYS 29 -2.804 6.718 0.412 214 1HB LYS 29 2HB LYS 29 -1.506 6.948 -1.728 215 2HB LYS 29 3HB LYS 29 -2.861 7.872 -2.384 216 1HG LYS 29 2HG LYS 29 -2.316 9.136 0.102 217 2HG LYS 29 3HG LYS 29 -0.748 8.651 -0.447 218 1HD LYS 29 2HD LYS 29 -2.733 10.112 -2.254 219 2HD LYS 29 3HD LYS 29 -1.752 10.994 -1.089 220 1HE LYS 29 2HE LYS 29 0.188 10.785 -2.224 221 2HE LYS 29 3HE LYS 29 -0.153 9.132 -2.784 222 1HZ LYS 29 1HZ LYS 29 -1.261 11.620 -3.884 223 2HZ LYS 29 2HZ LYS 29 -0.016 10.742 -4.505 224 3HZ LYS 29 3HZ LYS 29 -1.537 10.093 -4.464 225 H ARG 30 H ARG 30 -5.658 6.710 -1.649 226 HA ARG 30 HA ARG 30 -6.637 9.214 -0.586 227 1HB ARG 30 2HB ARG 30 -7.415 7.433 -2.685 228 2HB ARG 30 3HB ARG 30 -8.792 7.565 -1.595 229 1HG ARG 30 2HG ARG 30 -8.392 10.117 -1.654 230 2HG ARG 30 3HG ARG 30 -7.212 9.801 -2.944 231 1HD ARG 30 2HD ARG 30 -9.040 8.811 -4.323 232 2HD ARG 30 3HD ARG 30 -10.174 9.117 -2.979 233 HE ARG 30 HE ARG 30 -8.726 11.495 -3.782 234 1HH1 ARG 30 2HH2 ARG 30 -11.483 9.495 -4.681 235 2HH1 ARG 30 1HH2 ARG 30 -12.422 10.796 -5.344 236 1HH2 ARG 30 2HH1 ARG 30 -9.931 13.253 -4.659 237 2HH2 ARG 30 1HH1 ARG 30 -11.493 12.986 -5.353 238 H MET 31 H MET 31 -6.117 6.451 1.148 239 HA MET 31 HA MET 31 -8.470 6.558 2.839 240 1HB MET 31 2HB MET 31 -5.655 5.458 3.139 241 2HB MET 31 3HB MET 31 -6.801 5.347 4.463 242 1HG MET 31 2HG MET 31 -7.479 4.253 1.732 243 2HG MET 31 3HG MET 31 -6.491 3.364 2.889 244 1HE MET 31 1HE MET 31 -10.085 4.387 1.925 245 2HE MET 31 2HE MET 31 -11.037 3.831 3.321 246 3HE MET 31 3HE MET 31 -10.121 5.333 3.440 247 HA PRO 32 HA PRO 32 -7.257 10.011 5.414 248 1HB PRO 32 2HB PRO 32 -8.081 9.222 7.915 249 2HB PRO 32 3HB PRO 32 -9.207 9.720 6.621 250 1HG PRO 32 2HG PRO 32 -8.388 6.900 7.359 251 2HG PRO 32 3HG PRO 32 -10.048 7.528 7.126 252 1HD PRO 32 2HD PRO 32 -8.756 6.206 5.155 253 2HD PRO 32 3HD PRO 32 -9.751 7.628 4.755 254 H GLY 33 H GLY 33 -5.608 10.574 6.996 255 1HA GLY 33 2HA GLY 33 -3.663 10.375 8.109 256 2HA GLY 33 3HA GLY 33 -3.992 8.657 8.321 257 H VAL 34 H VAL 34 -4.054 8.300 5.245 258 HA VAL 34 HA VAL 34 -1.181 8.018 4.868 259 HB VAL 34 HB VAL 34 -3.359 7.545 2.827 260 1HG1 VAL 34 1HG1 VAL 34 -1.109 7.576 1.842 261 2HG1 VAL 34 2HG1 VAL 34 -0.450 6.610 3.165 262 3HG1 VAL 34 3HG1 VAL 34 -1.559 5.871 2.019 263 1HG2 VAL 34 1HG2 VAL 34 -3.923 6.177 4.757 264 2HG2 VAL 34 2HG2 VAL 34 -3.202 5.144 3.522 265 3HG2 VAL 34 3HG2 VAL 34 -2.238 5.649 4.930 266 H THR 35 H THR 35 0.118 9.178 3.435 267 HA THR 35 HA THR 35 -1.097 11.653 2.269 268 HB THR 35 HB THR 35 0.834 11.383 4.447 269 HG1 THR 35 1HG THR 35 -1.268 12.347 4.466 270 1HG2 THR 35 1HG2 THR 35 1.990 13.485 3.933 271 2HG2 THR 35 2HG2 THR 35 2.457 12.171 2.844 272 3HG2 THR 35 3HG2 THR 35 1.338 13.448 2.279 273 H ASP 36 H ASP 36 1.618 9.267 2.012 274 HA ASP 36 HA ASP 36 1.151 9.607 -0.758 275 1HB ASP 36 2HB ASP 36 3.316 11.090 -0.033 276 2HB ASP 36 3HB ASP 36 4.088 9.548 -0.438 277 H ALA 37 H ALA 37 2.387 7.983 -2.065 278 HA ALA 37 HA ALA 37 3.044 5.573 -0.634 279 1HB ALA 37 1HB ALA 37 1.183 4.227 -0.864 280 2HB ALA 37 2HB ALA 37 0.412 5.767 -0.549 281 3HB ALA 37 3HB ALA 37 0.509 5.178 -2.219 282 H ASN 38 H ASN 38 4.094 3.975 -1.820 283 HA ASN 38 HA ASN 38 4.649 4.579 -4.668 284 1HB ASN 38 2HB ASN 38 7.194 4.435 -3.448 285 2HB ASN 38 3HB ASN 38 6.442 5.812 -4.224 286 1HD2 ASN 38 1HD2 ASN 38 5.962 4.241 -0.979 287 2HD2 ASN 38 2HD2 ASN 38 6.267 5.738 -0.100 288 H VAL 39 H VAL 39 4.324 2.544 -5.424 289 HA VAL 39 HA VAL 39 5.094 0.269 -3.790 290 HB VAL 39 HB VAL 39 3.064 0.467 -5.347 291 1HG1 VAL 39 1HG1 VAL 39 4.282 1.160 -7.405 292 2HG1 VAL 39 2HG1 VAL 39 5.064 -0.439 -7.454 293 3HG1 VAL 39 3HG1 VAL 39 3.315 -0.307 -7.616 294 1HG2 VAL 39 1HG2 VAL 39 4.885 -1.835 -4.846 295 2HG2 VAL 39 2HG2 VAL 39 3.217 -1.542 -4.321 296 3HG2 VAL 39 3HG2 VAL 39 3.543 -2.070 -5.981 297 H ASN 40 H ASN 40 7.052 -0.872 -3.958 298 HA ASN 40 HA ASN 40 9.064 0.089 -5.954 299 1HB ASN 40 2HB ASN 40 9.653 0.674 -3.665 300 2HB ASN 40 3HB ASN 40 9.405 -0.993 -3.149 301 1HD2 ASN 40 1HD2 ASN 40 11.729 -0.609 -2.371 302 2HD2 ASN 40 2HD2 ASN 40 13.002 -0.950 -3.530 303 H LEU 41 H LEU 41 7.341 -1.446 -6.990 304 HA LEU 41 HA LEU 41 7.866 -4.296 -6.739 305 1HB LEU 41 2HB LEU 41 5.929 -2.571 -8.017 306 2HB LEU 41 3HB LEU 41 6.639 -3.573 -9.262 307 HG LEU 41 HG LEU 41 4.555 -4.466 -8.205 308 1HD1 LEU 41 1HD1 LEU 41 7.008 -6.248 -7.871 309 2HD1 LEU 41 2HD1 LEU 41 5.325 -6.793 -7.994 310 3HD1 LEU 41 3HD1 LEU 41 6.095 -5.983 -9.372 311 1HD2 LEU 41 1HD2 LEU 41 4.411 -5.264 -6.025 312 2HD2 LEU 41 2HD2 LEU 41 6.157 -5.276 -5.759 313 3HD2 LEU 41 3HD2 LEU 41 5.288 -3.738 -5.824 314 H ALA 42 H ALA 42 9.417 -1.694 -8.274 315 HA ALA 42 HA ALA 42 10.918 -2.785 -10.335 316 1HB ALA 42 1HB ALA 42 11.198 -0.474 -9.454 317 2HB ALA 42 2HB ALA 42 11.973 -1.148 -7.995 318 3HB ALA 42 3HB ALA 42 12.746 -1.344 -9.576 319 H THR 43 H THR 43 11.151 -3.493 -6.828 320 HA THR 43 HA THR 43 12.877 -5.792 -7.590 321 HB THR 43 HB THR 43 14.122 -4.340 -6.182 322 HG1 THR 43 1HG THR 43 14.287 -6.658 -6.067 323 1HG2 THR 43 1HG2 THR 43 13.667 -3.898 -3.895 324 2HG2 THR 43 2HG2 THR 43 12.216 -3.390 -4.781 325 3HG2 THR 43 3HG2 THR 43 12.243 -4.934 -3.885 326 H GLU 44 H GLU 44 10.522 -5.013 -4.996 327 HA GLU 44 HA GLU 44 8.407 -6.650 -5.432 328 1HB GLU 44 2HB GLU 44 10.779 -8.319 -4.791 329 2HB GLU 44 3HB GLU 44 9.396 -8.680 -3.803 330 1HG GLU 44 2HG GLU 44 9.038 -8.581 -6.803 331 2HG GLU 44 3HG GLU 44 9.630 -10.012 -5.956 332 H THR 45 H THR 45 8.912 -4.266 -4.088 333 HA THR 45 HA THR 45 7.977 -4.958 -1.382 334 HB THR 45 HB THR 45 9.887 -2.653 -1.849 335 HG1 THR 45 1HG THR 45 11.621 -4.128 -1.410 336 1HG2 THR 45 1HG2 THR 45 10.582 -3.310 0.431 337 2HG2 THR 45 2HG2 THR 45 8.826 -3.035 0.326 338 3HG2 THR 45 3HG2 THR 45 9.468 -4.701 0.328 339 H VAL 46 H VAL 46 6.791 -3.159 -0.365 340 HA VAL 46 HA VAL 46 5.947 -0.993 -2.230 341 HB VAL 46 HB VAL 46 4.135 -2.556 -2.257 342 1HG1 VAL 46 1HG1 VAL 46 2.939 -3.238 -0.181 343 2HG1 VAL 46 2HG1 VAL 46 4.556 -3.932 -0.281 344 3HG1 VAL 46 3HG1 VAL 46 4.248 -2.530 0.780 345 1HG2 VAL 46 1HG2 VAL 46 2.339 -1.287 -1.303 346 2HG2 VAL 46 2HG2 VAL 46 3.424 -0.353 -0.270 347 3HG2 VAL 46 3HG2 VAL 46 3.514 -0.173 -2.041 348 H ASN 47 H ASN 47 5.724 1.088 -1.243 349 HA ASN 47 HA ASN 47 6.324 1.160 1.649 350 1HB ASN 47 2HB ASN 47 7.642 2.705 -0.624 351 2HB ASN 47 3HB ASN 47 7.510 3.395 0.997 352 1HD2 ASN 47 1HD2 ASN 47 8.241 1.842 2.853 353 2HD2 ASN 47 2HD2 ASN 47 9.852 1.213 2.546 354 H VAL 48 H VAL 48 5.099 2.733 2.749 355 HA VAL 48 HA VAL 48 3.244 4.351 1.143 356 HB VAL 48 HB VAL 48 1.995 2.340 1.393 357 1HG1 VAL 48 1HG1 VAL 48 1.453 1.381 3.632 358 2HG1 VAL 48 2HG1 VAL 48 3.136 1.169 3.134 359 3HG1 VAL 48 3HG1 VAL 48 2.724 2.408 4.327 360 1HG2 VAL 48 1HG2 VAL 48 0.107 3.146 2.829 361 2HG2 VAL 48 2HG2 VAL 48 1.099 4.522 3.316 362 3HG2 VAL 48 3HG2 VAL 48 0.676 4.305 1.614 363 H ILE 49 H ILE 49 3.029 6.283 2.012 364 HA ILE 49 HA ILE 49 4.647 6.845 4.396 365 HB ILE 49 HB ILE 49 3.784 8.815 2.243 366 1HG1 ILE 49 2HG1 ILE 49 4.975 7.158 0.997 367 2HG1 ILE 49 3HG1 ILE 49 5.956 8.604 1.186 368 1HG2 ILE 49 1HG2 ILE 49 5.975 8.861 4.348 369 2HG2 ILE 49 2HG2 ILE 49 5.752 10.078 3.072 370 3HG2 ILE 49 3HG2 ILE 49 4.502 9.841 4.301 371 1HD1 ILE 49 1HD1 ILE 49 7.352 6.638 1.471 372 2HD1 ILE 49 2HD1 ILE 49 7.236 7.498 3.010 373 3HD1 ILE 49 3HD1 ILE 49 6.296 6.010 2.747 374 H TYR 50 H TYR 50 3.206 6.864 6.133 375 HA TYR 50 HA TYR 50 0.724 8.477 5.910 376 1HB TYR 50 2HB TYR 50 -0.678 6.731 6.775 377 2HB TYR 50 3HB TYR 50 0.071 6.175 5.303 378 HD1 TYR 50 HD1 TYR 50 -0.268 5.670 8.900 379 HD2 TYR 50 HD2 TYR 50 1.816 4.366 5.376 380 HE1 TYR 50 HE1 TYR 50 0.471 3.616 10.070 381 HE2 TYR 50 HE2 TYR 50 2.238 2.165 6.462 382 HH TYR 50 HH TYR 50 1.400 1.542 9.857 383 H ASP 51 H ASP 51 -0.376 8.605 7.994 384 HA ASP 51 HA ASP 51 1.663 9.100 10.117 385 1HB ASP 51 2HB ASP 51 0.016 10.868 9.670 386 2HB ASP 51 3HB ASP 51 -1.270 9.801 10.224 387 HA PRO 52 HA PRO 52 0.214 5.051 11.625 388 1HB PRO 52 2HB PRO 52 2.204 4.396 13.324 389 2HB PRO 52 3HB PRO 52 2.430 4.392 11.556 390 1HG PRO 52 2HG PRO 52 3.103 6.651 13.483 391 2HG PRO 52 3HG PRO 52 4.184 5.904 12.268 392 1HD PRO 52 2HD PRO 52 2.803 8.190 11.766 393 2HD PRO 52 3HD PRO 52 3.049 6.956 10.491 394 H ALA 53 H ALA 53 -0.051 8.059 13.109 395 HA ALA 53 HA ALA 53 -1.047 7.006 15.673 396 1HB ALA 53 1HB ALA 53 0.043 9.261 15.496 397 2HB ALA 53 2HB ALA 53 -1.241 9.751 14.365 398 3HB ALA 53 3HB ALA 53 -1.649 9.337 16.041 399 H GLU 54 H GLU 54 -2.016 7.819 12.348 400 HA GLU 54 HA GLU 54 -4.834 7.809 13.181 401 1HB GLU 54 2HB GLU 54 -3.869 9.925 12.247 402 2HB GLU 54 3HB GLU 54 -3.739 9.124 10.676 403 1HG GLU 54 2HG GLU 54 -6.204 8.736 10.704 404 2HG GLU 54 3HG GLU 54 -6.299 9.452 12.323 405 H THR 55 H THR 55 -2.816 6.948 10.354 406 HA THR 55 HA THR 55 -4.384 4.525 10.038 407 HB THR 55 HB THR 55 -2.640 4.304 7.892 408 HG1 THR 55 1HG THR 55 -3.843 6.674 7.528 409 1HG2 THR 55 1HG2 THR 55 -5.483 5.440 8.169 410 2HG2 THR 55 2HG2 THR 55 -4.737 4.815 6.672 411 3HG2 THR 55 3HG2 THR 55 -5.047 3.704 8.033 412 H GLY 56 H GLY 56 -2.667 2.791 9.126 413 1HA GLY 56 2HA GLY 56 -0.678 1.904 10.906 414 2HA GLY 56 3HA GLY 56 -2.303 1.448 11.481 415 H THR 57 H THR 57 -2.282 -0.710 10.798 416 HA THR 57 HA THR 57 -1.582 -1.536 8.072 417 HB THR 57 HB THR 57 -2.337 -3.757 9.158 418 HG1 THR 57 1HG THR 57 -2.434 -3.621 11.453 419 1HG2 THR 57 1HG2 THR 57 0.058 -3.079 8.930 420 2HG2 THR 57 2HG2 THR 57 -0.038 -2.169 10.449 421 3HG2 THR 57 3HG2 THR 57 -0.210 -3.938 10.457 422 H ALA 58 H ALA 58 -4.274 -1.159 10.325 423 HA ALA 58 HA ALA 58 -6.234 -2.470 9.179 424 1HB ALA 58 1HB ALA 58 -6.576 0.257 10.470 425 2HB ALA 58 2HB ALA 58 -7.856 -0.959 10.266 426 3HB ALA 58 3HB ALA 58 -6.466 -1.301 11.314 427 H ALA 59 H ALA 59 -5.813 0.928 8.306 428 HA ALA 59 HA ALA 59 -8.253 0.709 6.665 429 1HB ALA 59 1HB ALA 59 -7.333 2.837 7.872 430 2HB ALA 59 2HB ALA 59 -6.360 3.025 6.379 431 3HB ALA 59 3HB ALA 59 -8.127 2.985 6.303 432 H ILE 60 H ILE 60 -4.808 0.671 6.190 433 HA ILE 60 HA ILE 60 -4.690 0.584 3.363 434 HB ILE 60 HB ILE 60 -2.913 -0.179 5.704 435 1HG1 ILE 60 2HG1 ILE 60 -1.349 1.168 4.265 436 2HG1 ILE 60 3HG1 ILE 60 -2.721 1.370 3.150 437 1HG2 ILE 60 1HG2 ILE 60 -2.545 -2.200 4.445 438 2HG2 ILE 60 2HG2 ILE 60 -2.441 -1.305 2.917 439 3HG2 ILE 60 3HG2 ILE 60 -1.190 -1.119 4.160 440 1HD1 ILE 60 1HD1 ILE 60 -2.239 3.281 4.787 441 2HD1 ILE 60 2HD1 ILE 60 -3.913 2.701 4.792 442 3HD1 ILE 60 3HD1 ILE 60 -2.788 2.213 6.085 443 H GLN 61 H GLN 61 -4.888 -2.089 5.770 444 HA GLN 61 HA GLN 61 -4.860 -4.082 3.807 445 1HB GLN 61 2HB GLN 61 -4.683 -4.035 6.481 446 2HB GLN 61 3HB GLN 61 -6.295 -4.724 6.322 447 1HG GLN 61 2HG GLN 61 -5.452 -6.729 5.621 448 2HG GLN 61 3HG GLN 61 -4.289 -6.005 4.519 449 1HE2 GLN 61 1HE2 GLN 61 -2.491 -4.631 5.828 450 2HE2 GLN 61 2HE2 GLN 61 -1.720 -5.612 7.069 451 H GLU 62 H GLU 62 -7.614 -2.513 5.482 452 HA GLU 62 HA GLU 62 -9.818 -3.692 4.314 453 1HB GLU 62 2HB GLU 62 -9.117 -0.957 5.317 454 2HB GLU 62 3HB GLU 62 -10.488 -1.004 4.225 455 1HG GLU 62 2HG GLU 62 -11.374 -1.192 6.396 456 2HG GLU 62 3HG GLU 62 -11.501 -2.813 5.706 457 H LYS 63 H LYS 63 -7.987 -0.931 2.858 458 HA LYS 63 HA LYS 63 -9.481 -1.021 0.429 459 1HB LYS 63 2HB LYS 63 -7.026 0.346 1.516 460 2HB LYS 63 3HB LYS 63 -7.287 0.359 -0.201 461 1HG LYS 63 2HG LYS 63 -9.418 1.168 1.814 462 2HG LYS 63 3HG LYS 63 -8.234 2.296 1.149 463 1HD LYS 63 2HD LYS 63 -10.196 0.780 -0.603 464 2HD LYS 63 3HD LYS 63 -10.496 2.378 0.080 465 1HE LYS 63 2HE LYS 63 -7.850 2.264 -1.220 466 2HE LYS 63 3HE LYS 63 -9.107 1.760 -2.345 467 1HZ LYS 63 1HZ LYS 63 -8.506 4.190 -2.159 468 2HZ LYS 63 2HZ LYS 63 -10.124 3.829 -2.155 469 3HZ LYS 63 3HZ LYS 63 -9.331 4.225 -0.759 470 H ILE 64 H ILE 64 -6.341 -2.353 1.405 471 HA ILE 64 HA ILE 64 -5.240 -3.079 -0.992 472 HB ILE 64 HB ILE 64 -4.891 -3.686 1.770 473 1HG1 ILE 64 2HG1 ILE 64 -3.435 -2.321 0.271 474 2HG1 ILE 64 3HG1 ILE 64 -2.624 -3.479 1.320 475 1HG2 ILE 64 1HG2 ILE 64 -4.364 -6.068 0.019 476 2HG2 ILE 64 2HG2 ILE 64 -3.566 -5.756 1.575 477 3HG2 ILE 64 3HG2 ILE 64 -5.305 -5.975 1.523 478 1HD1 ILE 64 1HD1 ILE 64 -2.393 -5.069 -0.535 479 2HD1 ILE 64 2HD1 ILE 64 -3.258 -3.954 -1.613 480 3HD1 ILE 64 3HD1 ILE 64 -1.674 -3.500 -0.941 481 H GLU 65 H GLU 65 -7.361 -4.979 1.218 482 HA GLU 65 HA GLU 65 -7.889 -7.231 -0.418 483 1HB GLU 65 2HB GLU 65 -9.366 -5.895 1.883 484 2HB GLU 65 3HB GLU 65 -9.967 -7.366 1.112 485 1HG GLU 65 2HG GLU 65 -7.147 -7.221 2.194 486 2HG GLU 65 3HG GLU 65 -8.523 -7.646 3.215 487 H LYS 66 H LYS 66 -9.979 -4.327 0.161 488 HA LYS 66 HA LYS 66 -12.017 -5.051 -1.641 489 1HB LYS 66 2HB LYS 66 -10.996 -2.407 -0.590 490 2HB LYS 66 3HB LYS 66 -12.265 -2.437 -1.807 491 1HG LYS 66 2HG LYS 66 -12.787 -4.345 0.392 492 2HG LYS 66 3HG LYS 66 -12.622 -2.698 0.984 493 1HD LYS 66 2HD LYS 66 -14.384 -3.426 -1.400 494 2HD LYS 66 3HD LYS 66 -14.983 -3.460 0.266 495 1HE LYS 66 2HE LYS 66 -14.585 -1.107 0.597 496 2HE LYS 66 3HE LYS 66 -13.682 -0.954 -0.913 497 1HZ LYS 66 1HZ LYS 66 -15.900 -0.114 -1.116 498 2HZ LYS 66 2HZ LYS 66 -15.684 -1.393 -2.124 499 3HZ LYS 66 3HZ LYS 66 -16.553 -1.574 -0.735 500 H LEU 67 H LEU 67 -8.962 -3.424 -2.402 501 HA LEU 67 HA LEU 67 -9.644 -2.819 -5.146 502 1HB LEU 67 2HB LEU 67 -7.090 -2.899 -3.521 503 2HB LEU 67 3HB LEU 67 -7.050 -2.615 -5.259 504 HG LEU 67 HG LEU 67 -8.936 -0.938 -3.594 505 1HD1 LEU 67 1HD1 LEU 67 -5.933 -0.595 -3.759 506 2HD1 LEU 67 2HD1 LEU 67 -7.025 0.756 -3.407 507 3HD1 LEU 67 3HD1 LEU 67 -6.935 -0.638 -2.320 508 1HD2 LEU 67 1HD2 LEU 67 -7.234 -0.357 -6.066 509 2HD2 LEU 67 2HD2 LEU 67 -8.946 -0.823 -6.103 510 3HD2 LEU 67 3HD2 LEU 67 -8.463 0.710 -5.360 511 H GLY 68 H GLY 68 -8.807 -5.770 -3.555 512 1HA GLY 68 2HA GLY 68 -8.950 -7.865 -4.519 513 2HA GLY 68 3HA GLY 68 -8.751 -7.185 -6.141 514 H TYR 69 H TYR 69 -6.817 -6.947 -3.079 515 HA TYR 69 HA TYR 69 -4.470 -8.201 -4.382 516 1HB TYR 69 2HB TYR 69 -4.906 -5.331 -4.007 517 2HB TYR 69 3HB TYR 69 -3.581 -5.869 -2.998 518 HD1 TYR 69 HD1 TYR 69 -1.502 -6.687 -3.933 519 HD2 TYR 69 HD2 TYR 69 -4.835 -5.716 -6.490 520 HE1 TYR 69 HE1 TYR 69 0.001 -6.619 -5.877 521 HE2 TYR 69 HE2 TYR 69 -3.348 -5.699 -8.435 522 HH TYR 69 HH TYR 69 -1.198 -6.193 -9.196 523 H HIS 70 H HIS 70 -2.671 -8.392 -2.711 524 HA HIS 70 HA HIS 70 -3.612 -8.361 0.099 525 1HB HIS 70 2HB HIS 70 -3.997 -10.630 -0.923 526 2HB HIS 70 3HB HIS 70 -2.254 -10.775 -1.150 527 HD1 HIS 70 1HD HIS 70 -1.202 -9.883 1.738 528 HD2 HIS 70 2HD HIS 70 -4.631 -12.220 0.984 529 HE1 HIS 70 1HE HIS 70 -1.598 -11.267 3.803 530 H VAL 71 H VAL 71 -2.106 -7.308 1.259 531 HA VAL 71 HA VAL 71 0.685 -7.062 0.261 532 HB VAL 71 HB VAL 71 -0.655 -5.013 0.933 533 1HG1 VAL 71 1HG1 VAL 71 -1.748 -6.000 2.999 534 2HG1 VAL 71 2HG1 VAL 71 -0.159 -5.959 3.786 535 3HG1 VAL 71 3HG1 VAL 71 -0.925 -4.452 3.259 536 1HG2 VAL 71 1HG2 VAL 71 1.750 -4.982 0.740 537 2HG2 VAL 71 2HG2 VAL 71 1.223 -3.956 2.083 538 3HG2 VAL 71 3HG2 VAL 71 1.919 -5.559 2.414 539 H VAL 72 H VAL 72 2.408 -7.889 1.647 540 HA VAL 72 HA VAL 72 1.490 -9.654 3.888 541 HB VAL 72 HB VAL 72 3.654 -10.301 1.972 542 1HG1 VAL 72 1HG1 VAL 72 3.642 -12.520 3.081 543 2HG1 VAL 72 2HG1 VAL 72 4.083 -11.227 4.194 544 3HG1 VAL 72 3HG1 VAL 72 2.445 -11.915 4.244 545 1HG2 VAL 72 1HG2 VAL 72 0.865 -11.520 2.232 546 2HG2 VAL 72 2HG2 VAL 72 1.460 -10.588 0.839 547 3HG2 VAL 72 3HG2 VAL 72 2.160 -12.167 1.208 548 H ILE 73 H ILE 73 2.768 -9.581 5.657 549 HA ILE 73 HA ILE 73 4.752 -7.350 5.735 550 HB ILE 73 HB ILE 73 2.865 -8.248 7.909 551 1HG1 ILE 73 2HG1 ILE 73 2.298 -5.662 7.611 552 2HG1 ILE 73 3HG1 ILE 73 2.936 -5.912 5.984 553 1HG2 ILE 73 1HG2 ILE 73 3.731 -6.383 9.178 554 2HG2 ILE 73 2HG2 ILE 73 5.071 -7.457 8.791 555 3HG2 ILE 73 3HG2 ILE 73 4.865 -5.955 7.872 556 1HD1 ILE 73 1HD1 ILE 73 0.461 -6.145 6.210 557 2HD1 ILE 73 2HD1 ILE 73 1.227 -7.623 5.594 558 3HD1 ILE 73 3HD1 ILE 73 0.729 -7.523 7.307 559 H GLU 74 H GLU 74 6.376 -9.046 5.031 560 HA GLU 74 HA GLU 74 7.140 -10.959 6.926 561 1HB GLU 74 2HB GLU 74 8.446 -9.778 4.461 562 2HB GLU 74 3HB GLU 74 9.146 -11.068 5.417 563 1HG GLU 74 2HG GLU 74 7.040 -12.427 5.034 564 2HG GLU 74 3HG GLU 74 6.513 -11.183 3.882 565 H GLY 75 H GLY 75 7.278 -7.789 7.096 566 1HA GLY 75 2HA GLY 75 10.084 -7.317 7.853 567 2HA GLY 75 3HA GLY 75 8.800 -6.127 7.568 568 H ARG 76 H ARG 76 6.998 -7.647 9.550 569 HA ARG 76 HA ARG 76 8.123 -6.857 12.103 570 1HB ARG 76 2HB ARG 76 7.561 -4.691 10.958 571 2HB ARG 76 3HB ARG 76 5.882 -5.233 10.792 572 1HG ARG 76 2HG ARG 76 5.510 -5.169 13.143 573 2HG ARG 76 3HG ARG 76 7.247 -5.182 13.498 574 1HD ARG 76 2HD ARG 76 7.466 -2.953 12.447 575 2HD ARG 76 3HD ARG 76 5.694 -2.871 12.258 576 HE ARG 76 HE ARG 76 5.909 -3.443 14.883 577 1HH1 ARG 76 2HH2 ARG 76 7.482 -0.962 12.940 578 2HH1 ARG 76 1HH2 ARG 76 7.914 0.060 14.275 579 1HH2 ARG 76 2HH1 ARG 76 6.410 -2.094 16.689 580 2HH2 ARG 76 1HH1 ARG 76 7.229 -0.585 16.466 Start of MODEL 11 1 1H MET 1 H1 MET 1 -3.461 14.662 17.191 2 2H MET 1 H2 MET 1 -4.918 15.475 17.147 3 3H MET 1 H3 MET 1 -4.093 15.108 15.755 4 HA MET 1 HA MET 1 -3.600 17.364 16.141 5 1HB MET 1 2HB MET 1 -3.005 16.370 18.964 6 2HB MET 1 3HB MET 1 -2.455 17.935 18.355 7 1HG MET 1 2HG MET 1 -4.694 18.753 18.108 8 2HG MET 1 3HG MET 1 -5.392 17.154 18.372 9 1HE MET 1 1HE MET 1 -3.512 19.633 21.785 10 2HE MET 1 2HE MET 1 -2.497 18.832 20.569 11 3HE MET 1 3HE MET 1 -3.559 20.187 20.096 12 H LEU 2 H LEU 2 -1.485 17.994 15.483 13 HA LEU 2 HA LEU 2 0.504 17.688 14.535 14 1HB LEU 2 2HB LEU 2 0.982 17.916 17.051 15 2HB LEU 2 3HB LEU 2 1.305 16.184 17.036 16 HG LEU 2 HG LEU 2 2.823 16.934 14.881 17 1HD1 LEU 2 1HD1 LEU 2 2.163 19.339 15.140 18 2HD1 LEU 2 2HD1 LEU 2 2.904 19.342 16.754 19 3HD1 LEU 2 3HD1 LEU 2 3.909 19.082 15.314 20 1HD2 LEU 2 1HD2 LEU 2 4.768 16.983 16.380 21 2HD2 LEU 2 2HD2 LEU 2 3.689 17.132 17.788 22 3HD2 LEU 2 3HD2 LEU 2 3.654 15.664 16.782 23 H SER 3 H SER 3 -0.355 16.269 12.837 24 HA SER 3 HA SER 3 -0.269 13.475 12.992 25 1HB SER 3 2HB SER 3 -0.051 15.145 10.459 26 2HB SER 3 3HB SER 3 -0.904 13.618 10.706 27 HG SER 3 HG SER 3 -2.313 14.750 12.125 28 H GLU 4 H GLU 4 1.593 12.422 13.373 29 HA GLU 4 HA GLU 4 4.186 13.135 12.291 30 1HB GLU 4 2HB GLU 4 3.162 10.985 13.955 31 2HB GLU 4 3HB GLU 4 4.219 10.355 12.727 32 1HG GLU 4 2HG GLU 4 5.653 12.536 13.655 33 2HG GLU 4 3HG GLU 4 4.795 12.006 15.081 34 H GLN 5 H GLN 5 5.337 11.418 10.848 35 HA GLN 5 HA GLN 5 3.577 10.001 8.970 36 1HB GLN 5 2HB GLN 5 5.979 11.714 8.322 37 2HB GLN 5 3HB GLN 5 5.287 10.625 7.146 38 1HG GLN 5 2HG GLN 5 3.662 12.879 8.474 39 2HG GLN 5 3HG GLN 5 4.675 13.108 7.085 40 1HE2 GLN 5 1HE2 GLN 5 3.414 9.939 6.873 41 2HE2 GLN 5 2HE2 GLN 5 2.110 10.302 5.777 42 H LYS 6 H LYS 6 4.481 7.975 8.470 43 HA LYS 6 HA LYS 6 7.339 7.582 8.786 44 1HB LYS 6 2HB LYS 6 5.418 5.677 10.168 45 2HB LYS 6 3HB LYS 6 7.153 5.424 9.931 46 1HG LYS 6 2HG LYS 6 7.573 7.591 11.173 47 2HG LYS 6 3HG LYS 6 5.856 7.604 11.610 48 1HD LYS 6 2HD LYS 6 6.291 5.210 12.552 49 2HD LYS 6 3HD LYS 6 8.007 5.587 12.383 50 1HE LYS 6 2HE LYS 6 5.919 6.925 14.168 51 2HE LYS 6 3HE LYS 6 7.387 6.084 14.671 52 1HZ LYS 6 1HZ LYS 6 7.300 8.672 13.206 53 2HZ LYS 6 2HZ LYS 6 7.412 8.580 14.760 54 3HZ LYS 6 3HZ LYS 6 8.658 7.968 13.823 55 H GLU 7 H GLU 7 8.127 5.866 7.622 56 HA GLU 7 HA GLU 7 6.600 5.366 5.152 57 1HB GLU 7 2HB GLU 7 9.609 5.255 5.506 58 2HB GLU 7 3HB GLU 7 8.607 5.491 4.073 59 1HG GLU 7 2HG GLU 7 9.529 7.609 4.513 60 2HG GLU 7 3HG GLU 7 7.929 7.755 5.259 61 H ILE 8 H ILE 8 5.629 3.348 5.771 62 HA ILE 8 HA ILE 8 7.347 1.289 6.916 63 HB ILE 8 HB ILE 8 4.480 1.173 6.180 64 1HG1 ILE 8 2HG1 ILE 8 5.987 2.426 8.490 65 2HG1 ILE 8 3HG1 ILE 8 4.456 2.923 7.763 66 1HG2 ILE 8 1HG2 ILE 8 4.544 -0.658 7.893 67 2HG2 ILE 8 2HG2 ILE 8 5.496 -0.944 6.452 68 3HG2 ILE 8 3HG2 ILE 8 6.315 -0.409 7.951 69 1HD1 ILE 8 1HD1 ILE 8 4.995 0.704 9.762 70 2HD1 ILE 8 2HD1 ILE 8 4.066 2.192 10.020 71 3HD1 ILE 8 3HD1 ILE 8 3.419 0.918 8.961 72 H ALA 9 H ALA 9 7.400 -0.810 5.824 73 HA ALA 9 HA ALA 9 7.368 -0.742 2.861 74 1HB ALA 9 1HB ALA 9 9.535 -1.943 4.622 75 2HB ALA 9 2HB ALA 9 9.471 -2.001 2.847 76 3HB ALA 9 3HB ALA 9 9.726 -0.454 3.685 77 H MET 10 H MET 10 6.378 -2.630 2.059 78 HA MET 10 HA MET 10 6.249 -5.020 3.828 79 1HB MET 10 2HB MET 10 3.808 -4.021 2.321 80 2HB MET 10 3HB MET 10 3.956 -5.408 3.395 81 1HG MET 10 2HG MET 10 2.785 -3.892 4.619 82 2HG MET 10 3HG MET 10 4.412 -3.742 5.288 83 1HE MET 10 1HE MET 10 1.619 -1.831 5.365 84 2HE MET 10 2HE MET 10 3.026 -1.708 6.443 85 3HE MET 10 3HE MET 10 2.451 -0.273 5.557 86 H GLN 11 H GLN 11 5.347 -6.904 2.515 87 HA GLN 11 HA GLN 11 6.597 -6.999 -0.190 88 1HB GLN 11 2HB GLN 11 5.774 -8.984 1.934 89 2HB GLN 11 3HB GLN 11 5.693 -9.505 0.257 90 1HG GLN 11 2HG GLN 11 8.248 -8.145 1.057 91 2HG GLN 11 3HG GLN 11 7.897 -9.695 1.822 92 1HE2 GLN 11 1HE2 GLN 11 7.927 -8.196 -1.553 93 2HE2 GLN 11 2HE2 GLN 11 8.319 -9.725 -2.268 94 H VAL 12 H VAL 12 5.264 -8.002 -1.899 95 HA VAL 12 HA VAL 12 2.349 -7.367 -1.643 96 HB VAL 12 HB VAL 12 4.165 -7.076 -4.076 97 1HG1 VAL 12 1HG1 VAL 12 1.197 -6.496 -3.674 98 2HG1 VAL 12 2HG1 VAL 12 2.150 -5.980 -5.082 99 3HG1 VAL 12 3HG1 VAL 12 1.904 -7.699 -4.777 100 1HG2 VAL 12 1HG2 VAL 12 4.591 -5.262 -2.485 101 2HG2 VAL 12 2HG2 VAL 12 3.623 -4.637 -3.821 102 3HG2 VAL 12 3HG2 VAL 12 2.844 -5.003 -2.273 103 H SER 13 H SER 13 0.927 -8.879 -2.663 104 HA SER 13 HA SER 13 2.039 -11.158 -4.129 105 1HB SER 13 2HB SER 13 0.514 -11.410 -1.496 106 2HB SER 13 3HB SER 13 0.710 -12.748 -2.643 107 HG SER 13 HG SER 13 3.062 -11.435 -2.031 108 H GLY 14 H GLY 14 0.026 -12.517 -4.892 109 1HA GLY 14 2HA GLY 14 -2.066 -12.595 -5.862 110 2HA GLY 14 3HA GLY 14 -2.477 -11.024 -5.169 111 H MET 15 H MET 15 -0.259 -9.550 -6.208 112 HA MET 15 HA MET 15 -1.118 -8.557 -8.556 113 1HB MET 15 2HB MET 15 0.986 -7.429 -8.735 114 2HB MET 15 3HB MET 15 0.598 -7.640 -7.033 115 1HG MET 15 2HG MET 15 2.867 -8.055 -7.136 116 2HG MET 15 3HG MET 15 2.149 -9.660 -7.023 117 1HE MET 15 1HE MET 15 4.065 -7.883 -10.853 118 2HE MET 15 2HE MET 15 2.379 -7.529 -10.442 119 3HE MET 15 3HE MET 15 3.679 -6.940 -9.394 120 H THR 16 H THR 16 -0.461 -8.549 -10.737 121 HA THR 16 HA THR 16 0.847 -11.028 -11.797 122 HB THR 16 HB THR 16 -0.437 -10.326 -13.925 123 HG1 THR 16 1HG THR 16 -2.232 -9.169 -12.087 124 1HG2 THR 16 1HG2 THR 16 -1.005 -12.352 -12.683 125 2HG2 THR 16 2HG2 THR 16 -1.974 -11.421 -11.523 126 3HG2 THR 16 3HG2 THR 16 -2.483 -11.539 -13.226 127 H CYS 17 H CYS 17 0.032 -7.748 -13.010 128 HA CYS 17 HA CYS 17 2.833 -7.519 -13.965 129 1HB CYS 17 2HB CYS 17 2.128 -6.046 -15.588 130 2HB CYS 17 3HB CYS 17 0.868 -7.285 -15.553 131 H ALA 18 H ALA 18 4.112 -5.717 -13.600 132 HA ALA 18 HA ALA 18 3.762 -4.431 -11.002 133 1HB ALA 18 1HB ALA 18 5.907 -4.112 -13.141 134 2HB ALA 18 2HB ALA 18 5.986 -3.503 -11.473 135 3HB ALA 18 3HB ALA 18 5.956 -5.251 -11.778 136 H ALA 19 H ALA 19 1.591 -3.666 -12.349 137 HA ALA 19 HA ALA 19 2.060 -0.761 -12.799 138 1HB ALA 19 1HB ALA 19 0.450 -2.415 -14.776 139 2HB ALA 19 2HB ALA 19 0.776 -0.675 -14.826 140 3HB ALA 19 3HB ALA 19 2.104 -1.828 -15.053 141 H CYS 20 H CYS 20 -0.557 -3.316 -12.661 142 HA CYS 20 HA CYS 20 -2.488 -1.570 -11.537 143 1HB CYS 20 2HB CYS 20 -2.096 -4.542 -10.887 144 2HB CYS 20 3HB CYS 20 -3.577 -3.588 -10.689 145 H ALA 21 H ALA 21 0.163 -3.363 -10.105 146 HA ALA 21 HA ALA 21 -0.093 -2.928 -7.403 147 1HB ALA 21 1HB ALA 21 1.732 -4.157 -8.721 148 2HB ALA 21 2HB ALA 21 2.531 -2.580 -8.881 149 3HB ALA 21 3HB ALA 21 2.227 -3.290 -7.275 150 H ALA 22 H ALA 22 0.683 -0.475 -9.869 151 HA ALA 22 HA ALA 22 1.392 1.588 -7.919 152 1HB ALA 22 1HB ALA 22 2.209 1.627 -10.275 153 2HB ALA 22 2HB ALA 22 0.533 1.847 -10.829 154 3HB ALA 22 3HB ALA 22 1.304 3.087 -9.823 155 H ARG 23 H ARG 23 -1.475 0.695 -9.903 156 HA ARG 23 HA ARG 23 -3.054 2.965 -9.154 157 1HB ARG 23 2HB ARG 23 -3.784 0.221 -10.272 158 2HB ARG 23 3HB ARG 23 -5.010 1.351 -9.705 159 1HG ARG 23 2HG ARG 23 -4.924 1.816 -11.954 160 2HG ARG 23 3HG ARG 23 -4.008 3.130 -11.210 161 1HD ARG 23 2HD ARG 23 -1.882 1.824 -11.799 162 2HD ARG 23 3HD ARG 23 -2.943 0.652 -12.612 163 HE ARG 23 HE ARG 23 -3.248 3.481 -13.389 164 1HH1 ARG 23 2HH2 ARG 23 -1.622 0.442 -14.145 165 2HH1 ARG 23 1HH2 ARG 23 -1.284 0.846 -15.799 166 1HH2 ARG 23 2HH1 ARG 23 -2.747 4.091 -15.543 167 2HH2 ARG 23 1HH1 ARG 23 -1.903 3.005 -16.595 168 H ILE 24 H ILE 24 -2.939 -0.373 -7.835 169 HA ILE 24 HA ILE 24 -4.848 0.069 -5.843 170 HB ILE 24 HB ILE 24 -3.969 -1.825 -4.620 171 1HG1 ILE 24 2HG1 ILE 24 -2.191 -2.995 -6.361 172 2HG1 ILE 24 3HG1 ILE 24 -1.714 -1.305 -6.426 173 1HG2 ILE 24 1HG2 ILE 24 -4.743 -3.337 -6.244 174 2HG2 ILE 24 2HG2 ILE 24 -5.456 -1.828 -6.808 175 3HG2 ILE 24 3HG2 ILE 24 -4.016 -2.447 -7.600 176 1HD1 ILE 24 1HD1 ILE 24 -0.357 -2.581 -4.806 177 2HD1 ILE 24 2HD1 ILE 24 -1.310 -1.345 -3.958 178 3HD1 ILE 24 3HD1 ILE 24 -1.829 -3.039 -3.921 179 H GLU 25 H GLU 25 -1.298 0.564 -5.569 180 HA GLU 25 HA GLU 25 -1.458 1.626 -2.990 181 1HB GLU 25 2HB GLU 25 0.564 0.905 -4.591 182 2HB GLU 25 3HB GLU 25 0.685 2.649 -4.855 183 1HG GLU 25 2HG GLU 25 2.162 1.711 -3.035 184 2HG GLU 25 3HG GLU 25 1.033 2.944 -2.469 185 H LYS 26 H LYS 26 -2.018 3.277 -6.038 186 HA LYS 26 HA LYS 26 -1.952 5.928 -4.768 187 1HB LYS 26 2HB LYS 26 -2.801 5.090 -7.548 188 2HB LYS 26 3HB LYS 26 -2.681 6.763 -6.987 189 1HG LYS 26 2HG LYS 26 -0.350 4.792 -7.022 190 2HG LYS 26 3HG LYS 26 -0.687 5.958 -8.298 191 1HD LYS 26 2HD LYS 26 -0.321 7.818 -6.721 192 2HD LYS 26 3HD LYS 26 -0.068 6.674 -5.386 193 1HE LYS 26 2HE LYS 26 1.854 5.662 -6.663 194 2HE LYS 26 3HE LYS 26 1.708 6.987 -7.830 195 1HZ LYS 26 1HZ LYS 26 2.352 7.188 -4.942 196 2HZ LYS 26 2HZ LYS 26 3.352 7.489 -6.188 197 3HZ LYS 26 3HZ LYS 26 2.095 8.504 -5.895 198 H GLY 27 H GLY 27 -4.497 3.629 -5.690 199 1HA GLY 27 2HA GLY 27 -6.687 5.343 -4.850 200 2HA GLY 27 3HA GLY 27 -6.730 3.582 -4.995 201 H LEU 28 H LEU 28 -4.561 2.927 -3.283 202 HA LEU 28 HA LEU 28 -5.727 2.894 -0.666 203 1HB LEU 28 2HB LEU 28 -4.135 1.326 -1.495 204 2HB LEU 28 3HB LEU 28 -2.863 2.541 -1.554 205 HG LEU 28 HG LEU 28 -4.271 1.807 1.025 206 1HD1 LEU 28 1HD1 LEU 28 -3.336 -0.163 -0.088 207 2HD1 LEU 28 2HD1 LEU 28 -1.751 0.620 -0.190 208 3HD1 LEU 28 3HD1 LEU 28 -2.447 0.217 1.393 209 1HD2 LEU 28 1HD2 LEU 28 -2.028 2.630 1.940 210 2HD2 LEU 28 2HD2 LEU 28 -1.632 3.191 0.312 211 3HD2 LEU 28 3HD2 LEU 28 -3.008 3.882 1.206 212 H LYS 29 H LYS 29 -3.129 4.942 -2.030 213 HA LYS 29 HA LYS 29 -2.660 6.626 0.054 214 1HB LYS 29 2HB LYS 29 -1.674 6.485 -2.375 215 2HB LYS 29 3HB LYS 29 -2.870 7.716 -2.765 216 1HG LYS 29 2HG LYS 29 -1.461 8.562 -0.372 217 2HG LYS 29 3HG LYS 29 -0.307 7.872 -1.494 218 1HD LYS 29 2HD LYS 29 -0.351 10.188 -2.079 219 2HD LYS 29 3HD LYS 29 -1.212 9.331 -3.333 220 1HE LYS 29 2HE LYS 29 -2.239 11.441 -2.592 221 2HE LYS 29 3HE LYS 29 -3.345 10.056 -2.442 222 1HZ LYS 29 1HZ LYS 29 -3.325 11.613 -0.506 223 2HZ LYS 29 2HZ LYS 29 -3.040 10.055 -0.107 224 3HZ LYS 29 3HZ LYS 29 -1.785 11.134 -0.178 225 H ARG 30 H ARG 30 -5.700 6.534 -1.657 226 HA ARG 30 HA ARG 30 -6.385 9.325 -1.083 227 1HB ARG 30 2HB ARG 30 -7.307 7.234 -2.849 228 2HB ARG 30 3HB ARG 30 -8.674 7.794 -1.898 229 1HG ARG 30 2HG ARG 30 -8.165 10.119 -2.605 230 2HG ARG 30 3HG ARG 30 -6.699 9.544 -3.426 231 1HD ARG 30 2HD ARG 30 -8.893 7.955 -4.398 232 2HD ARG 30 3HD ARG 30 -9.446 9.614 -4.440 233 HE ARG 30 HE ARG 30 -7.456 8.316 -6.104 234 1HH1 ARG 30 2HH2 ARG 30 -8.273 11.426 -4.701 235 2HH1 ARG 30 1HH2 ARG 30 -7.561 12.394 -5.957 236 1HH2 ARG 30 2HH1 ARG 30 -6.462 9.541 -7.807 237 2HH2 ARG 30 1HH1 ARG 30 -6.475 11.273 -7.761 238 H MET 31 H MET 31 -6.321 6.486 0.840 239 HA MET 31 HA MET 31 -8.717 6.991 2.334 240 1HB MET 31 2HB MET 31 -7.867 5.362 3.903 241 2HB MET 31 3HB MET 31 -7.431 4.868 2.266 242 1HG MET 31 2HG MET 31 -5.140 5.748 2.638 243 2HG MET 31 3HG MET 31 -5.567 6.235 4.264 244 1HE MET 31 1HE MET 31 -5.900 3.152 1.972 245 2HE MET 31 2HE MET 31 -5.619 1.813 3.098 246 3HE MET 31 3HE MET 31 -7.097 2.771 3.261 247 HA PRO 32 HA PRO 32 -7.272 10.246 5.163 248 1HB PRO 32 2HB PRO 32 -8.380 9.430 7.555 249 2HB PRO 32 3HB PRO 32 -9.317 10.214 6.251 250 1HG PRO 32 2HG PRO 32 -9.042 7.246 6.795 251 2HG PRO 32 3HG PRO 32 -10.549 8.172 6.530 252 1HD PRO 32 2HD PRO 32 -9.410 6.804 4.525 253 2HD PRO 32 3HD PRO 32 -10.064 8.429 4.200 254 H GLY 33 H GLY 33 -5.350 10.390 6.308 255 1HA GLY 33 2HA GLY 33 -3.801 9.716 7.910 256 2HA GLY 33 3HA GLY 33 -4.295 8.029 7.759 257 H VAL 34 H VAL 34 -4.061 8.030 4.730 258 HA VAL 34 HA VAL 34 -1.106 7.786 4.657 259 HB VAL 34 HB VAL 34 -3.157 6.917 2.624 260 1HG1 VAL 34 1HG1 VAL 34 -0.142 6.460 2.868 261 2HG1 VAL 34 2HG1 VAL 34 -1.208 5.649 1.703 262 3HG1 VAL 34 3HG1 VAL 34 -0.948 7.396 1.603 263 1HG2 VAL 34 1HG2 VAL 34 -1.484 5.298 4.622 264 2HG2 VAL 34 2HG2 VAL 34 -3.197 5.641 4.816 265 3HG2 VAL 34 3HG2 VAL 34 -2.621 4.660 3.446 266 H THR 35 H THR 35 0.018 9.538 4.175 267 HA THR 35 HA THR 35 -1.254 11.723 2.658 268 HB THR 35 HB THR 35 0.965 11.458 4.524 269 HG1 THR 35 1HG THR 35 -0.638 12.742 5.105 270 1HG2 THR 35 1HG2 THR 35 1.381 13.265 2.120 271 2HG2 THR 35 2HG2 THR 35 2.215 13.413 3.681 272 3HG2 THR 35 3HG2 THR 35 2.453 11.959 2.710 273 H ASP 36 H ASP 36 1.553 9.399 2.235 274 HA ASP 36 HA ASP 36 0.954 9.595 -0.571 275 1HB ASP 36 2HB ASP 36 3.106 11.140 0.232 276 2HB ASP 36 3HB ASP 36 3.878 9.624 -0.258 277 H ALA 37 H ALA 37 2.071 8.047 -1.856 278 HA ALA 37 HA ALA 37 3.038 5.673 -0.449 279 1HB ALA 37 1HB ALA 37 0.461 5.639 -0.165 280 2HB ALA 37 2HB ALA 37 0.407 5.223 -1.888 281 3HB ALA 37 3HB ALA 37 1.259 4.172 -0.722 282 H ASN 38 H ASN 38 3.914 3.973 -1.771 283 HA ASN 38 HA ASN 38 4.319 4.620 -4.627 284 1HB ASN 38 2HB ASN 38 6.949 4.475 -3.625 285 2HB ASN 38 3HB ASN 38 6.134 5.884 -4.271 286 1HD2 ASN 38 1HD2 ASN 38 5.896 4.173 -1.084 287 2HD2 ASN 38 2HD2 ASN 38 6.283 5.621 -0.154 288 H VAL 39 H VAL 39 4.184 2.573 -5.465 289 HA VAL 39 HA VAL 39 4.965 0.311 -3.825 290 HB VAL 39 HB VAL 39 2.989 0.412 -5.429 291 1HG1 VAL 39 1HG1 VAL 39 4.214 1.299 -7.431 292 2HG1 VAL 39 2HG1 VAL 39 5.096 -0.243 -7.533 293 3HG1 VAL 39 3HG1 VAL 39 3.345 -0.214 -7.734 294 1HG2 VAL 39 1HG2 VAL 39 5.019 -1.823 -5.338 295 2HG2 VAL 39 2HG2 VAL 39 3.559 -1.591 -4.348 296 3HG2 VAL 39 3HG2 VAL 39 3.401 -2.001 -6.055 297 H ASN 40 H ASN 40 6.956 -0.783 -3.979 298 HA ASN 40 HA ASN 40 8.978 0.319 -5.893 299 1HB ASN 40 2HB ASN 40 9.383 0.870 -3.488 300 2HB ASN 40 3HB ASN 40 9.408 -0.861 -3.120 301 1HD2 ASN 40 1HD2 ASN 40 11.640 0.116 -2.331 302 2HD2 ASN 40 2HD2 ASN 40 12.941 -0.016 -3.503 303 H LEU 41 H LEU 41 7.332 -1.322 -6.944 304 HA LEU 41 HA LEU 41 7.682 -4.081 -6.343 305 1HB LEU 41 2HB LEU 41 5.818 -2.580 -7.703 306 2HB LEU 41 3HB LEU 41 6.639 -3.362 -9.042 307 HG LEU 41 HG LEU 41 4.566 -4.483 -8.222 308 1HD1 LEU 41 1HD1 LEU 41 7.096 -6.163 -7.864 309 2HD1 LEU 41 2HD1 LEU 41 5.480 -6.806 -8.096 310 3HD1 LEU 41 3HD1 LEU 41 6.246 -5.857 -9.390 311 1HD2 LEU 41 1HD2 LEU 41 6.015 -5.303 -5.688 312 2HD2 LEU 41 2HD2 LEU 41 4.843 -3.982 -5.797 313 3HD2 LEU 41 3HD2 LEU 41 4.360 -5.633 -6.194 314 H ALA 42 H ALA 42 9.518 -1.876 -8.225 315 HA ALA 42 HA ALA 42 11.123 -3.409 -9.889 316 1HB ALA 42 1HB ALA 42 12.945 -1.900 -9.219 317 2HB ALA 42 2HB ALA 42 11.437 -0.982 -9.453 318 3HB ALA 42 3HB ALA 42 12.014 -1.371 -7.809 319 H THR 43 H THR 43 11.046 -3.391 -6.292 320 HA THR 43 HA THR 43 12.706 -5.860 -6.380 321 HB THR 43 HB THR 43 14.171 -4.133 -5.587 322 HG1 THR 43 1HG THR 43 13.171 -5.834 -3.569 323 1HG2 THR 43 1HG2 THR 43 12.581 -2.463 -4.774 324 2HG2 THR 43 2HG2 THR 43 12.102 -3.522 -3.430 325 3HG2 THR 43 3HG2 THR 43 13.751 -2.878 -3.515 326 H GLU 44 H GLU 44 9.927 -5.726 -6.624 327 HA GLU 44 HA GLU 44 7.973 -6.487 -5.772 328 1HB GLU 44 2HB GLU 44 10.007 -8.398 -4.561 329 2HB GLU 44 3HB GLU 44 8.263 -8.698 -4.636 330 1HG GLU 44 2HG GLU 44 8.279 -8.471 -7.095 331 2HG GLU 44 3HG GLU 44 10.033 -8.213 -7.065 332 H THR 45 H THR 45 8.955 -4.231 -4.133 333 HA THR 45 HA THR 45 7.805 -4.980 -1.484 334 HB THR 45 HB THR 45 9.999 -2.994 -2.225 335 HG1 THR 45 1HG THR 45 10.588 -5.264 -2.311 336 1HG2 THR 45 1HG2 THR 45 8.757 -2.314 -0.199 337 2HG2 THR 45 2HG2 THR 45 8.967 -3.969 0.455 338 3HG2 THR 45 3HG2 THR 45 10.375 -2.913 0.213 339 H VAL 46 H VAL 46 6.549 -3.231 -0.490 340 HA VAL 46 HA VAL 46 5.746 -1.025 -2.326 341 HB VAL 46 HB VAL 46 3.945 -2.593 -2.375 342 1HG1 VAL 46 1HG1 VAL 46 3.933 -2.502 0.669 343 2HG1 VAL 46 2HG1 VAL 46 2.693 -3.266 -0.341 344 3HG1 VAL 46 3HG1 VAL 46 4.330 -3.921 -0.335 345 1HG2 VAL 46 1HG2 VAL 46 3.357 -0.191 -2.218 346 2HG2 VAL 46 2HG2 VAL 46 2.134 -1.289 -1.554 347 3HG2 VAL 46 3HG2 VAL 46 3.170 -0.363 -0.455 348 H ASN 47 H ASN 47 5.511 1.056 -1.308 349 HA ASN 47 HA ASN 47 6.265 1.093 1.546 350 1HB ASN 47 2HB ASN 47 7.531 2.548 -0.803 351 2HB ASN 47 3HB ASN 47 7.442 3.333 0.776 352 1HD2 ASN 47 1HD2 ASN 47 8.127 1.811 2.706 353 2HD2 ASN 47 2HD2 ASN 47 9.745 1.189 2.427 354 H VAL 48 H VAL 48 5.199 2.717 2.752 355 HA VAL 48 HA VAL 48 3.214 4.333 1.293 356 HB VAL 48 HB VAL 48 2.092 2.251 1.571 357 1HG1 VAL 48 1HG1 VAL 48 3.319 1.156 3.318 358 2HG1 VAL 48 2HG1 VAL 48 2.810 2.355 4.516 359 3HG1 VAL 48 3HG1 VAL 48 1.616 1.263 3.785 360 1HG2 VAL 48 1HG2 VAL 48 0.152 2.978 2.854 361 2HG2 VAL 48 2HG2 VAL 48 1.085 4.308 3.567 362 3HG2 VAL 48 3HG2 VAL 48 0.788 4.263 1.822 363 H ILE 49 H ILE 49 3.068 6.261 2.159 364 HA ILE 49 HA ILE 49 4.822 6.824 4.447 365 HB ILE 49 HB ILE 49 3.910 8.724 2.241 366 1HG1 ILE 49 2HG1 ILE 49 5.024 6.985 1.045 367 2HG1 ILE 49 3HG1 ILE 49 6.032 8.421 1.116 368 1HG2 ILE 49 1HG2 ILE 49 5.904 10.011 2.918 369 2HG2 ILE 49 2HG2 ILE 49 4.718 9.845 4.221 370 3HG2 ILE 49 3HG2 ILE 49 6.188 8.861 4.240 371 1HD1 ILE 49 1HD1 ILE 49 7.401 6.437 1.434 372 2HD1 ILE 49 2HD1 ILE 49 7.393 7.388 2.921 373 3HD1 ILE 49 3HD1 ILE 49 6.408 5.910 2.802 374 H TYR 50 H TYR 50 3.327 6.758 6.198 375 HA TYR 50 HA TYR 50 0.826 8.391 5.932 376 1HB TYR 50 2HB TYR 50 -0.537 6.622 6.692 377 2HB TYR 50 3HB TYR 50 0.389 6.077 5.316 378 HD1 TYR 50 HD1 TYR 50 -0.108 5.795 8.963 379 HD2 TYR 50 HD2 TYR 50 2.002 4.194 5.588 380 HE1 TYR 50 HE1 TYR 50 0.321 3.708 10.213 381 HE2 TYR 50 HE2 TYR 50 2.110 1.980 6.725 382 HH TYR 50 HH TYR 50 1.131 1.499 10.032 383 H ASP 51 H ASP 51 -0.339 8.592 7.890 384 HA ASP 51 HA ASP 51 1.518 9.320 10.085 385 1HB ASP 51 2HB ASP 51 -0.109 10.972 9.492 386 2HB ASP 51 3HB ASP 51 -1.432 9.835 9.743 387 HA PRO 52 HA PRO 52 0.393 5.264 11.790 388 1HB PRO 52 2HB PRO 52 2.249 5.007 13.733 389 2HB PRO 52 3HB PRO 52 2.660 4.910 11.996 390 1HG PRO 52 2HG PRO 52 2.845 7.357 13.786 391 2HG PRO 52 3HG PRO 52 4.122 6.653 12.746 392 1HD PRO 52 2HD PRO 52 2.558 8.710 11.911 393 2HD PRO 52 3HD PRO 52 3.065 7.417 10.781 394 H ALA 53 H ALA 53 -0.278 8.352 13.085 395 HA ALA 53 HA ALA 53 -1.438 7.277 15.589 396 1HB ALA 53 1HB ALA 53 -0.336 9.517 15.558 397 2HB ALA 53 2HB ALA 53 -1.521 10.050 14.343 398 3HB ALA 53 3HB ALA 53 -2.066 9.588 15.964 399 H GLU 54 H GLU 54 -2.148 7.910 12.196 400 HA GLU 54 HA GLU 54 -5.031 8.154 12.770 401 1HB GLU 54 2HB GLU 54 -3.756 9.954 11.471 402 2HB GLU 54 3HB GLU 54 -3.634 8.782 10.158 403 1HG GLU 54 2HG GLU 54 -5.608 9.758 9.507 404 2HG GLU 54 3HG GLU 54 -6.338 8.653 10.673 405 H THR 55 H THR 55 -2.687 6.643 10.595 406 HA THR 55 HA THR 55 -4.334 4.205 10.432 407 HB THR 55 HB THR 55 -2.777 3.723 8.281 408 HG1 THR 55 1HG THR 55 -3.006 6.520 8.478 409 1HG2 THR 55 1HG2 THR 55 -4.627 4.591 6.958 410 2HG2 THR 55 2HG2 THR 55 -5.180 3.670 8.383 411 3HG2 THR 55 3HG2 THR 55 -5.273 5.465 8.373 412 H GLY 56 H GLY 56 -2.634 2.416 9.742 413 1HA GLY 56 2HA GLY 56 -0.552 1.604 11.342 414 2HA GLY 56 3HA GLY 56 -1.932 1.823 12.443 415 H THR 57 H THR 57 -0.885 0.360 9.652 416 HA THR 57 HA THR 57 -1.691 -0.375 7.854 417 HB THR 57 HB THR 57 -1.224 -2.819 7.780 418 HG1 THR 57 1HG THR 57 -0.643 -3.778 9.795 419 1HG2 THR 57 1HG2 THR 57 1.093 -2.686 8.492 420 2HG2 THR 57 2HG2 THR 57 0.636 -1.127 7.781 421 3HG2 THR 57 3HG2 THR 57 0.755 -1.306 9.546 422 H ALA 58 H ALA 58 -3.866 -1.311 10.365 423 HA ALA 58 HA ALA 58 -5.988 -2.585 9.488 424 1HB ALA 58 1HB ALA 58 -5.826 0.288 10.426 425 2HB ALA 58 2HB ALA 58 -7.313 -0.705 10.487 426 3HB ALA 58 3HB ALA 58 -5.882 -1.147 11.455 427 H ALA 59 H ALA 59 -5.261 0.670 8.145 428 HA ALA 59 HA ALA 59 -7.845 0.476 6.670 429 1HB ALA 59 1HB ALA 59 -5.742 2.625 6.545 430 2HB ALA 59 2HB ALA 59 -7.386 2.717 5.877 431 3HB ALA 59 3HB ALA 59 -7.159 2.636 7.633 432 H ILE 60 H ILE 60 -4.420 0.552 6.085 433 HA ILE 60 HA ILE 60 -4.177 0.213 3.306 434 HB ILE 60 HB ILE 60 -2.581 -0.314 5.781 435 1HG1 ILE 60 2HG1 ILE 60 -1.621 0.970 3.317 436 2HG1 ILE 60 3HG1 ILE 60 -2.951 1.798 4.101 437 1HG2 ILE 60 1HG2 ILE 60 -0.661 -1.094 4.471 438 2HG2 ILE 60 2HG2 ILE 60 -1.939 -2.305 4.608 439 3HG2 ILE 60 3HG2 ILE 60 -1.734 -1.402 3.084 440 1HD1 ILE 60 1HD1 ILE 60 -1.743 1.886 6.252 441 2HD1 ILE 60 2HD1 ILE 60 -0.333 1.102 5.504 442 3HD1 ILE 60 3HD1 ILE 60 -0.851 2.719 4.974 443 H GLN 61 H GLN 61 -4.346 -2.464 5.752 444 HA GLN 61 HA GLN 61 -4.427 -4.437 3.725 445 1HB GLN 61 2HB GLN 61 -4.686 -4.378 6.590 446 2HB GLN 61 3HB GLN 61 -6.010 -5.326 5.920 447 1HG GLN 61 2HG GLN 61 -4.637 -7.060 5.910 448 2HG GLN 61 3HG GLN 61 -3.855 -6.367 4.501 449 1HE2 GLN 61 1HE2 GLN 61 -2.344 -4.274 5.543 450 2HE2 GLN 61 2HE2 GLN 61 -1.203 -4.931 6.714 451 H GLU 62 H GLU 62 -7.121 -2.741 5.418 452 HA GLU 62 HA GLU 62 -9.246 -4.032 4.181 453 1HB GLU 62 2HB GLU 62 -8.840 -1.584 5.715 454 2HB GLU 62 3HB GLU 62 -9.949 -1.240 4.390 455 1HG GLU 62 2HG GLU 62 -10.280 -3.550 6.347 456 2HG GLU 62 3HG GLU 62 -11.102 -1.986 6.457 457 H LYS 63 H LYS 63 -7.612 -1.048 2.937 458 HA LYS 63 HA LYS 63 -9.203 -1.041 0.570 459 1HB LYS 63 2HB LYS 63 -6.804 0.416 1.636 460 2HB LYS 63 3HB LYS 63 -7.192 0.552 -0.045 461 1HG LYS 63 2HG LYS 63 -9.155 1.201 2.211 462 2HG LYS 63 3HG LYS 63 -8.097 2.367 1.417 463 1HD LYS 63 2HD LYS 63 -10.112 2.789 0.510 464 2HD LYS 63 3HD LYS 63 -9.165 2.006 -0.758 465 1HE LYS 63 2HE LYS 63 -10.514 0.075 -0.736 466 2HE LYS 63 3HE LYS 63 -11.068 0.343 0.938 467 1HZ LYS 63 1HZ LYS 63 -12.407 2.141 0.142 468 2HZ LYS 63 2HZ LYS 63 -11.871 1.935 -1.404 469 3HZ LYS 63 3HZ LYS 63 -12.771 0.767 -0.678 470 H ILE 64 H ILE 64 -6.010 -2.436 1.389 471 HA ILE 64 HA ILE 64 -4.973 -2.961 -1.080 472 HB ILE 64 HB ILE 64 -4.805 -4.072 1.628 473 1HG1 ILE 64 2HG1 ILE 64 -3.432 -2.162 0.661 474 2HG1 ILE 64 3HG1 ILE 64 -2.575 -3.447 1.488 475 1HG2 ILE 64 1HG2 ILE 64 -4.937 -6.151 0.675 476 2HG2 ILE 64 2HG2 ILE 64 -3.848 -5.696 -0.669 477 3HG2 ILE 64 3HG2 ILE 64 -3.246 -5.801 1.010 478 1HD1 ILE 64 1HD1 ILE 64 -1.932 -4.462 -0.645 479 2HD1 ILE 64 2HD1 ILE 64 -2.808 -3.194 -1.528 480 3HD1 ILE 64 3HD1 ILE 64 -1.403 -2.776 -0.524 481 H GLU 65 H GLU 65 -7.100 -4.929 1.079 482 HA GLU 65 HA GLU 65 -7.769 -7.062 -0.621 483 1HB GLU 65 2HB GLU 65 -9.200 -5.769 1.737 484 2HB GLU 65 3HB GLU 65 -9.805 -7.220 0.938 485 1HG GLU 65 2HG GLU 65 -6.963 -7.134 1.961 486 2HG GLU 65 3HG GLU 65 -8.316 -7.479 3.045 487 H LYS 66 H LYS 66 -9.770 -4.118 0.093 488 HA LYS 66 HA LYS 66 -11.822 -4.766 -1.735 489 1HB LYS 66 2HB LYS 66 -10.902 -2.246 -0.401 490 2HB LYS 66 3HB LYS 66 -11.875 -2.046 -1.859 491 1HG LYS 66 2HG LYS 66 -13.421 -2.031 -0.102 492 2HG LYS 66 3HG LYS 66 -13.599 -3.597 -0.898 493 1HD LYS 66 2HD LYS 66 -12.096 -4.570 0.951 494 2HD LYS 66 3HD LYS 66 -12.151 -2.977 1.720 495 1HE LYS 66 2HE LYS 66 -14.774 -3.246 1.524 496 2HE LYS 66 3HE LYS 66 -14.414 -4.962 1.252 497 1HZ LYS 66 1HZ LYS 66 -13.720 -3.306 3.599 498 2HZ LYS 66 2HZ LYS 66 -14.762 -4.593 3.593 499 3HZ LYS 66 3HZ LYS 66 -13.113 -4.742 3.455 500 H LEU 67 H LEU 67 -8.766 -3.085 -2.388 501 HA LEU 67 HA LEU 67 -9.399 -2.462 -5.138 502 1HB LEU 67 2HB LEU 67 -6.823 -2.496 -3.560 503 2HB LEU 67 3HB LEU 67 -6.940 -1.955 -5.231 504 HG LEU 67 HG LEU 67 -8.716 -0.727 -3.088 505 1HD1 LEU 67 1HD1 LEU 67 -6.125 0.478 -4.019 506 2HD1 LEU 67 2HD1 LEU 67 -7.144 0.973 -2.660 507 3HD1 LEU 67 3HD1 LEU 67 -6.195 -0.523 -2.557 508 1HD2 LEU 67 1HD2 LEU 67 -7.738 0.241 -5.816 509 2HD2 LEU 67 2HD2 LEU 67 -9.394 -0.256 -5.417 510 3HD2 LEU 67 3HD2 LEU 67 -8.706 1.196 -4.679 511 H GLY 68 H GLY 68 -8.484 -5.391 -3.555 512 1HA GLY 68 2HA GLY 68 -8.628 -7.454 -4.545 513 2HA GLY 68 3HA GLY 68 -8.433 -6.754 -6.156 514 H TYR 69 H TYR 69 -6.306 -6.185 -3.328 515 HA TYR 69 HA TYR 69 -4.115 -7.784 -4.593 516 1HB TYR 69 2HB TYR 69 -4.247 -4.896 -3.849 517 2HB TYR 69 3HB TYR 69 -2.886 -5.750 -3.155 518 HD1 TYR 69 HD1 TYR 69 -0.918 -5.502 -4.355 519 HD2 TYR 69 HD2 TYR 69 -4.645 -5.752 -6.510 520 HE1 TYR 69 HE1 TYR 69 0.293 -5.310 -6.484 521 HE2 TYR 69 HE2 TYR 69 -3.421 -5.675 -8.642 522 HH TYR 69 HH TYR 69 0.148 -5.545 -8.797 523 H HIS 70 H HIS 70 -2.391 -8.266 -2.919 524 HA HIS 70 HA HIS 70 -3.443 -8.405 -0.146 525 1HB HIS 70 2HB HIS 70 -3.829 -10.572 -1.336 526 2HB HIS 70 3HB HIS 70 -2.086 -10.723 -1.572 527 HD1 HIS 70 1HD HIS 70 -1.671 -9.636 1.719 528 HD2 HIS 70 2HD HIS 70 -3.794 -12.879 0.047 529 HE1 HIS 70 1HE HIS 70 -1.942 -11.341 3.546 530 H VAL 71 H VAL 71 -2.003 -7.369 1.079 531 HA VAL 71 HA VAL 71 0.822 -7.070 0.247 532 HB VAL 71 HB VAL 71 -0.533 -5.100 0.996 533 1HG1 VAL 71 1HG1 VAL 71 -0.349 -6.297 3.793 534 2HG1 VAL 71 2HG1 VAL 71 -1.027 -4.728 3.329 535 3HG1 VAL 71 3HG1 VAL 71 -1.843 -6.220 2.841 536 1HG2 VAL 71 1HG2 VAL 71 1.865 -5.774 2.703 537 2HG2 VAL 71 2HG2 VAL 71 1.890 -5.058 1.073 538 3HG2 VAL 71 3HG2 VAL 71 1.204 -4.147 2.427 539 H VAL 72 H VAL 72 2.509 -7.949 1.605 540 HA VAL 72 HA VAL 72 1.622 -9.916 3.672 541 HB VAL 72 HB VAL 72 3.854 -10.298 1.752 542 1HG1 VAL 72 1HG1 VAL 72 4.363 -11.350 3.898 543 2HG1 VAL 72 2HG1 VAL 72 2.751 -12.099 3.944 544 3HG1 VAL 72 3HG1 VAL 72 3.942 -12.597 2.726 545 1HG2 VAL 72 1HG2 VAL 72 1.686 -10.636 0.608 546 2HG2 VAL 72 2HG2 VAL 72 2.437 -12.210 0.910 547 3HG2 VAL 72 3HG2 VAL 72 1.118 -11.649 1.954 548 H ILE 73 H ILE 73 2.850 -10.013 5.461 549 HA ILE 73 HA ILE 73 4.486 -7.566 5.990 550 HB ILE 73 HB ILE 73 2.796 -9.103 7.958 551 1HG1 ILE 73 2HG1 ILE 73 1.258 -8.182 6.344 552 2HG1 ILE 73 3HG1 ILE 73 1.242 -7.248 7.833 553 1HG2 ILE 73 1HG2 ILE 73 4.227 -6.406 8.054 554 2HG2 ILE 73 2HG2 ILE 73 3.094 -6.999 9.286 555 3HG2 ILE 73 3HG2 ILE 73 4.617 -7.840 9.002 556 1HD1 ILE 73 1HD1 ILE 73 2.590 -5.462 6.775 557 2HD1 ILE 73 2HD1 ILE 73 2.599 -6.384 5.255 558 3HD1 ILE 73 3HD1 ILE 73 1.079 -5.774 5.914 559 H GLU 74 H GLU 74 6.343 -8.973 5.149 560 HA GLU 74 HA GLU 74 7.222 -11.099 6.703 561 1HB GLU 74 2HB GLU 74 8.421 -9.365 4.553 562 2HB GLU 74 3HB GLU 74 9.403 -10.552 5.404 563 1HG GLU 74 2HG GLU 74 6.809 -11.355 4.045 564 2HG GLU 74 3HG GLU 74 8.388 -11.386 3.241 565 H GLY 75 H GLY 75 7.062 -8.076 7.695 566 1HA GLY 75 2HA GLY 75 8.030 -6.836 9.430 567 2HA GLY 75 3HA GLY 75 8.846 -8.326 9.936 568 H ARG 76 H ARG 76 9.052 -5.478 7.811 569 HA ARG 76 HA ARG 76 11.392 -6.230 6.469 570 1HB ARG 76 2HB ARG 76 9.850 -4.367 5.735 571 2HB ARG 76 3HB ARG 76 10.421 -3.409 7.113 572 1HG ARG 76 2HG ARG 76 11.629 -2.630 5.189 573 2HG ARG 76 3HG ARG 76 12.762 -3.526 6.170 574 1HD ARG 76 2HD ARG 76 12.027 -5.581 4.567 575 2HD ARG 76 3HD ARG 76 11.441 -4.283 3.550 576 HE ARG 76 HE ARG 76 13.600 -3.761 2.988 577 1HH1 ARG 76 2HH2 ARG 76 13.888 -5.533 6.101 578 2HH1 ARG 76 1HH2 ARG 76 15.370 -6.279 5.678 579 1HH2 ARG 76 2HH1 ARG 76 15.704 -4.597 2.555 580 2HH2 ARG 76 1HH1 ARG 76 16.508 -5.591 3.729 Start of MODEL 12 1 1H MET 1 H1 MET 1 -3.767 17.537 16.914 2 2H MET 1 H2 MET 1 -4.048 18.414 18.288 3 3H MET 1 H3 MET 1 -3.371 19.134 16.961 4 HA MET 1 HA MET 1 -1.719 18.762 18.610 5 1HB MET 1 2HB MET 1 -2.562 15.867 18.231 6 2HB MET 1 3HB MET 1 -0.990 16.326 18.911 7 1HG MET 1 2HG MET 1 -2.014 17.474 20.766 8 2HG MET 1 3HG MET 1 -3.616 17.346 20.034 9 1HE MET 1 1HE MET 1 -5.147 16.234 21.551 10 2HE MET 1 2HE MET 1 -4.613 15.097 22.806 11 3HE MET 1 3HE MET 1 -3.933 16.744 22.754 12 H LEU 2 H LEU 2 -1.108 15.925 16.555 13 HA LEU 2 HA LEU 2 -0.188 17.517 14.309 14 1HB LEU 2 2HB LEU 2 2.149 16.734 14.538 15 2HB LEU 2 3HB LEU 2 1.706 17.873 15.799 16 HG LEU 2 HG LEU 2 1.201 15.061 16.618 17 1HD1 LEU 2 1HD1 LEU 2 3.551 14.422 16.842 18 2HD1 LEU 2 2HD1 LEU 2 3.073 14.625 15.148 19 3HD1 LEU 2 3HD1 LEU 2 4.050 15.879 15.950 20 1HD2 LEU 2 1HD2 LEU 2 1.236 17.011 18.180 21 2HD2 LEU 2 2HD2 LEU 2 2.407 15.754 18.614 22 3HD2 LEU 2 3HD2 LEU 2 2.958 17.241 17.817 23 H SER 3 H SER 3 0.783 16.020 12.662 24 HA SER 3 HA SER 3 0.051 13.155 13.014 25 1HB SER 3 2HB SER 3 -0.046 14.527 10.287 26 2HB SER 3 3HB SER 3 -0.602 12.945 10.753 27 HG SER 3 HG SER 3 -1.666 15.407 11.722 28 H GLU 4 H GLU 4 2.140 12.419 13.524 29 HA GLU 4 HA GLU 4 4.511 13.196 12.044 30 1HB GLU 4 2HB GLU 4 3.666 10.988 13.857 31 2HB GLU 4 3HB GLU 4 5.163 10.856 12.963 32 1HG GLU 4 2HG GLU 4 6.208 12.473 14.107 33 2HG GLU 4 3HG GLU 4 4.739 13.374 14.447 34 H GLN 5 H GLN 5 5.514 11.405 10.625 35 HA GLN 5 HA GLN 5 3.501 9.775 9.178 36 1HB GLN 5 2HB GLN 5 5.689 11.467 7.906 37 2HB GLN 5 3HB GLN 5 4.767 10.174 7.128 38 1HG GLN 5 2HG GLN 5 2.735 11.790 8.136 39 2HG GLN 5 3HG GLN 5 3.972 12.976 7.701 40 1HE2 GLN 5 1HE2 GLN 5 2.200 10.140 6.530 41 2HE2 GLN 5 2HE2 GLN 5 2.287 10.478 4.843 42 H LYS 6 H LYS 6 4.377 7.814 8.362 43 HA LYS 6 HA LYS 6 7.231 7.306 8.818 44 1HB LYS 6 2HB LYS 6 5.061 5.438 9.791 45 2HB LYS 6 3HB LYS 6 6.774 5.037 9.728 46 1HG LYS 6 2HG LYS 6 5.667 7.307 11.428 47 2HG LYS 6 3HG LYS 6 5.941 5.657 12.001 48 1HD LYS 6 2HD LYS 6 8.335 5.819 11.429 49 2HD LYS 6 3HD LYS 6 8.104 7.474 10.836 50 1HE LYS 6 2HE LYS 6 7.352 8.224 13.059 51 2HE LYS 6 3HE LYS 6 7.513 6.577 13.698 52 1HZ LYS 6 1HZ LYS 6 9.865 6.700 13.254 53 2HZ LYS 6 2HZ LYS 6 9.714 8.219 12.635 54 3HZ LYS 6 3HZ LYS 6 9.401 7.946 14.228 55 H GLU 7 H GLU 7 8.063 5.760 7.578 56 HA GLU 7 HA GLU 7 6.645 5.145 5.062 57 1HB GLU 7 2HB GLU 7 9.610 4.810 5.288 58 2HB GLU 7 3HB GLU 7 8.585 5.396 3.996 59 1HG GLU 7 2HG GLU 7 9.820 7.260 4.637 60 2HG GLU 7 3HG GLU 7 8.341 7.544 5.559 61 H ILE 8 H ILE 8 5.596 3.203 5.659 62 HA ILE 8 HA ILE 8 7.121 1.114 7.004 63 HB ILE 8 HB ILE 8 4.407 0.940 5.847 64 1HG1 ILE 8 2HG1 ILE 8 3.969 2.886 6.988 65 2HG1 ILE 8 3HG1 ILE 8 3.423 1.555 8.018 66 1HG2 ILE 8 1HG2 ILE 8 5.428 -1.087 6.718 67 2HG2 ILE 8 2HG2 ILE 8 5.746 -0.270 8.252 68 3HG2 ILE 8 3HG2 ILE 8 4.065 -0.604 7.743 69 1HD1 ILE 8 1HD1 ILE 8 5.898 3.214 8.316 70 2HD1 ILE 8 2HD1 ILE 8 4.537 3.030 9.448 71 3HD1 ILE 8 3HD1 ILE 8 5.666 1.677 9.165 72 H ALA 9 H ALA 9 7.289 -1.067 5.901 73 HA ALA 9 HA ALA 9 7.336 -0.967 2.940 74 1HB ALA 9 1HB ALA 9 9.653 -0.540 3.807 75 2HB ALA 9 2HB ALA 9 9.571 -2.074 4.686 76 3HB ALA 9 3HB ALA 9 9.502 -2.067 2.911 77 H MET 10 H MET 10 6.325 -2.819 2.124 78 HA MET 10 HA MET 10 6.382 -5.303 3.759 79 1HB MET 10 2HB MET 10 3.830 -4.228 2.472 80 2HB MET 10 3HB MET 10 4.047 -5.762 3.296 81 1HG MET 10 2HG MET 10 3.017 -4.477 4.893 82 2HG MET 10 3HG MET 10 4.708 -4.426 5.375 83 1HE MET 10 1HE MET 10 1.592 -2.540 3.990 84 2HE MET 10 2HE MET 10 2.222 -0.907 3.670 85 3HE MET 10 3HE MET 10 2.694 -2.255 2.617 86 H GLN 11 H GLN 11 5.575 -7.189 2.389 87 HA GLN 11 HA GLN 11 6.837 -7.036 -0.298 88 1HB GLN 11 2HB GLN 11 6.098 -9.257 1.660 89 2HB GLN 11 3HB GLN 11 6.289 -9.633 -0.044 90 1HG GLN 11 2HG GLN 11 8.385 -8.439 1.824 91 2HG GLN 11 3HG GLN 11 8.359 -10.086 1.172 92 1HE2 GLN 11 1HE2 GLN 11 7.728 -9.741 -1.481 93 2HE2 GLN 11 2HE2 GLN 11 8.680 -8.496 -2.258 94 H VAL 12 H VAL 12 5.670 -8.075 -2.104 95 HA VAL 12 HA VAL 12 2.719 -7.584 -1.927 96 HB VAL 12 HB VAL 12 4.636 -7.216 -4.262 97 1HG1 VAL 12 1HG1 VAL 12 2.457 -7.939 -5.102 98 2HG1 VAL 12 2HG1 VAL 12 1.622 -6.791 -4.028 99 3HG1 VAL 12 3HG1 VAL 12 2.621 -6.207 -5.371 100 1HG2 VAL 12 1HG2 VAL 12 4.897 -5.422 -2.633 101 2HG2 VAL 12 2HG2 VAL 12 3.953 -4.796 -3.986 102 3HG2 VAL 12 3HG2 VAL 12 3.130 -5.246 -2.486 103 H SER 13 H SER 13 1.320 -9.099 -2.834 104 HA SER 13 HA SER 13 2.317 -11.314 -4.437 105 1HB SER 13 2HB SER 13 1.026 -11.661 -1.696 106 2HB SER 13 3HB SER 13 0.893 -12.908 -2.942 107 HG SER 13 HG SER 13 2.712 -13.285 -1.639 108 H GLY 14 H GLY 14 0.279 -12.630 -5.091 109 1HA GLY 14 2HA GLY 14 -1.735 -12.688 -6.177 110 2HA GLY 14 3HA GLY 14 -2.343 -11.693 -4.839 111 H MET 15 H MET 15 -0.080 -11.199 -7.585 112 HA MET 15 HA MET 15 -1.434 -8.626 -8.240 113 1HB MET 15 2HB MET 15 0.708 -7.592 -8.422 114 2HB MET 15 3HB MET 15 0.691 -8.462 -6.882 115 1HG MET 15 2HG MET 15 2.779 -9.020 -7.698 116 2HG MET 15 3HG MET 15 1.834 -10.374 -8.322 117 1HE MET 15 1HE MET 15 4.190 -10.594 -9.832 118 2HE MET 15 2HE MET 15 2.664 -11.200 -10.535 119 3HE MET 15 3HE MET 15 3.786 -10.255 -11.535 120 H THR 16 H THR 16 -1.438 -8.045 -10.459 121 HA THR 16 HA THR 16 -0.906 -10.204 -12.407 122 HB THR 16 HB THR 16 -1.843 -8.134 -13.872 123 HG1 THR 16 1HG THR 16 -3.344 -7.806 -11.535 124 1HG2 THR 16 1HG2 THR 16 -3.512 -10.028 -12.143 125 2HG2 THR 16 2HG2 THR 16 -4.123 -9.097 -13.535 126 3HG2 THR 16 3HG2 THR 16 -2.885 -10.340 -13.775 127 H CYS 17 H CYS 17 -0.075 -6.668 -11.997 128 HA CYS 17 HA CYS 17 2.677 -7.312 -12.611 129 1HB CYS 17 2HB CYS 17 2.929 -6.020 -14.616 130 2HB CYS 17 3HB CYS 17 1.636 -7.186 -14.903 131 H ALA 18 H ALA 18 3.998 -5.307 -12.711 132 HA ALA 18 HA ALA 18 3.754 -3.853 -10.339 133 1HB ALA 18 1HB ALA 18 5.879 -4.232 -11.530 134 2HB ALA 18 2HB ALA 18 5.342 -3.169 -12.848 135 3HB ALA 18 3HB ALA 18 5.620 -2.503 -11.225 136 H ALA 19 H ALA 19 2.527 -3.095 -13.584 137 HA ALA 19 HA ALA 19 2.020 -0.313 -13.080 138 1HB ALA 19 1HB ALA 19 0.622 -0.381 -15.048 139 2HB ALA 19 2HB ALA 19 2.100 -1.316 -15.354 140 3HB ALA 19 3HB ALA 19 0.565 -2.151 -15.022 141 H CYS 20 H CYS 20 -0.087 -3.266 -12.812 142 HA CYS 20 HA CYS 20 -2.288 -1.826 -11.682 143 1HB CYS 20 2HB CYS 20 -1.519 -4.768 -11.363 144 2HB CYS 20 3HB CYS 20 -3.086 -4.041 -10.964 145 H ALA 21 H ALA 21 0.556 -3.437 -10.245 146 HA ALA 21 HA ALA 21 -0.098 -2.949 -7.556 147 1HB ALA 21 1HB ALA 21 1.905 -4.246 -8.614 148 2HB ALA 21 2HB ALA 21 2.746 -2.683 -8.507 149 3HB ALA 21 3HB ALA 21 2.092 -3.462 -7.047 150 H ALA 22 H ALA 22 0.788 -0.542 -10.013 151 HA ALA 22 HA ALA 22 1.326 1.571 -8.064 152 1HB ALA 22 1HB ALA 22 0.364 1.889 -10.925 153 2HB ALA 22 2HB ALA 22 1.195 3.072 -9.911 154 3HB ALA 22 3HB ALA 22 2.069 1.633 -10.479 155 H ARG 23 H ARG 23 -1.519 0.341 -9.829 156 HA ARG 23 HA ARG 23 -3.283 2.493 -9.255 157 1HB ARG 23 2HB ARG 23 -3.918 -0.461 -9.639 158 2HB ARG 23 3HB ARG 23 -5.101 0.848 -9.644 159 1HG ARG 23 2HG ARG 23 -4.078 1.887 -11.576 160 2HG ARG 23 3HG ARG 23 -2.744 0.722 -11.570 161 1HD ARG 23 2HD ARG 23 -3.913 -0.679 -12.896 162 2HD ARG 23 3HD ARG 23 -5.087 -0.878 -11.614 163 HE ARG 23 HE ARG 23 -6.585 0.295 -12.840 164 1HH1 ARG 23 2HH2 ARG 23 -3.372 1.298 -13.809 165 2HH1 ARG 23 1HH2 ARG 23 -3.867 2.252 -15.176 166 1HH2 ARG 23 2HH1 ARG 23 -7.331 1.520 -14.671 167 2HH2 ARG 23 1HH1 ARG 23 -6.203 2.382 -15.664 168 H ILE 24 H ILE 24 -2.523 -0.494 -7.401 169 HA ILE 24 HA ILE 24 -4.414 0.092 -5.378 170 HB ILE 24 HB ILE 24 -3.598 -1.566 -4.041 171 1HG1 ILE 24 2HG1 ILE 24 -1.031 -1.266 -5.504 172 2HG1 ILE 24 3HG1 ILE 24 -1.374 -1.098 -3.768 173 1HG2 ILE 24 1HG2 ILE 24 -3.798 -3.368 -5.460 174 2HG2 ILE 24 2HG2 ILE 24 -4.600 -2.095 -6.372 175 3HG2 ILE 24 3HG2 ILE 24 -2.952 -2.584 -6.821 176 1HD1 ILE 24 1HD1 ILE 24 -1.841 -3.562 -3.690 177 2HD1 ILE 24 2HD1 ILE 24 -1.293 -3.634 -5.391 178 3HD1 ILE 24 3HD1 ILE 24 -0.163 -3.156 -4.120 179 H GLU 25 H GLU 25 -0.832 0.684 -5.113 180 HA GLU 25 HA GLU 25 -1.008 2.183 -2.781 181 1HB GLU 25 2HB GLU 25 0.974 1.990 -5.000 182 2HB GLU 25 3HB GLU 25 1.091 3.429 -3.966 183 1HG GLU 25 2HG GLU 25 2.481 1.534 -3.130 184 2HG GLU 25 3HG GLU 25 1.291 2.085 -1.952 185 H LYS 26 H LYS 26 -1.590 3.366 -6.091 186 HA LYS 26 HA LYS 26 -1.695 6.152 -5.226 187 1HB LYS 26 2HB LYS 26 -2.412 4.702 -7.779 188 2HB LYS 26 3HB LYS 26 -2.955 6.355 -7.497 189 1HG LYS 26 2HG LYS 26 -0.904 6.447 -8.729 190 2HG LYS 26 3HG LYS 26 -0.648 7.125 -7.113 191 1HD LYS 26 2HD LYS 26 0.502 5.083 -6.407 192 2HD LYS 26 3HD LYS 26 0.182 4.358 -8.001 193 1HE LYS 26 2HE LYS 26 1.537 5.946 -9.156 194 2HE LYS 26 3HE LYS 26 1.746 6.941 -7.703 195 1HZ LYS 26 1HZ LYS 26 2.752 4.188 -7.987 196 2HZ LYS 26 2HZ LYS 26 3.653 5.549 -8.189 197 3HZ LYS 26 3HZ LYS 26 3.007 5.210 -6.715 198 H GLY 27 H GLY 27 -4.266 3.696 -5.937 199 1HA GLY 27 2HA GLY 27 -6.427 5.442 -5.142 200 2HA GLY 27 3HA GLY 27 -6.493 3.686 -5.311 201 H LEU 28 H LEU 28 -4.171 3.400 -3.387 202 HA LEU 28 HA LEU 28 -5.595 3.328 -0.910 203 1HB LEU 28 2HB LEU 28 -3.883 1.690 -1.561 204 2HB LEU 28 3HB LEU 28 -2.642 2.942 -1.544 205 HG LEU 28 HG LEU 28 -2.737 1.307 0.381 206 1HD1 LEU 28 1HD1 LEU 28 -2.929 4.230 1.236 207 2HD1 LEU 28 2HD1 LEU 28 -2.071 2.914 2.038 208 3HD1 LEU 28 3HD1 LEU 28 -1.509 3.496 0.466 209 1HD2 LEU 28 1HD2 LEU 28 -5.130 1.274 0.579 210 2HD2 LEU 28 2HD2 LEU 28 -4.354 1.624 2.120 211 3HD2 LEU 28 3HD2 LEU 28 -5.163 2.927 1.243 212 H LYS 29 H LYS 29 -2.934 5.411 -2.233 213 HA LYS 29 HA LYS 29 -2.499 7.048 -0.088 214 1HB LYS 29 2HB LYS 29 -1.443 7.197 -2.427 215 2HB LYS 29 3HB LYS 29 -2.836 8.198 -2.883 216 1HG LYS 29 2HG LYS 29 -2.225 9.628 -0.767 217 2HG LYS 29 3HG LYS 29 -0.725 8.723 -0.763 218 1HD LYS 29 2HD LYS 29 -1.821 10.544 -2.965 219 2HD LYS 29 3HD LYS 29 -0.534 10.925 -1.825 220 1HE LYS 29 2HE LYS 29 0.606 8.738 -2.918 221 2HE LYS 29 3HE LYS 29 -0.477 9.144 -4.255 222 1HZ LYS 29 1HZ LYS 29 1.821 10.554 -3.182 223 2HZ LYS 29 2HZ LYS 29 1.414 10.348 -4.727 224 3HZ LYS 29 3HZ LYS 29 0.642 11.505 -3.826 225 H ARG 30 H ARG 30 -5.270 7.200 -2.283 226 HA ARG 30 HA ARG 30 -6.310 9.648 -1.272 227 1HB ARG 30 2HB ARG 30 -6.983 7.746 -3.347 228 2HB ARG 30 3HB ARG 30 -8.429 8.019 -2.391 229 1HG ARG 30 2HG ARG 30 -7.868 10.553 -2.593 230 2HG ARG 30 3HG ARG 30 -6.687 10.061 -3.829 231 1HD ARG 30 2HD ARG 30 -8.557 9.011 -5.122 232 2HD ARG 30 3HD ARG 30 -9.679 9.499 -3.822 233 HE ARG 30 HE ARG 30 -8.147 11.724 -4.874 234 1HH1 ARG 30 2HH2 ARG 30 -10.980 9.731 -5.511 235 2HH1 ARG 30 1HH2 ARG 30 -11.881 10.969 -6.330 236 1HH2 ARG 30 2HH1 ARG 30 -9.296 13.402 -5.972 237 2HH2 ARG 30 1HH1 ARG 30 -10.875 13.106 -6.619 238 H MET 31 H MET 31 -6.170 6.785 0.473 239 HA MET 31 HA MET 31 -8.785 6.819 1.690 240 1HB MET 31 2HB MET 31 -7.900 5.053 3.035 241 2HB MET 31 3HB MET 31 -7.160 4.872 1.456 242 1HG MET 31 2HG MET 31 -5.158 4.892 2.445 243 2HG MET 31 3HG MET 31 -5.390 6.545 2.940 244 1HE MET 31 1HE MET 31 -6.280 2.800 3.828 245 2HE MET 31 2HE MET 31 -4.531 3.157 3.828 246 3HE MET 31 3HE MET 31 -5.332 2.759 5.335 247 HA PRO 32 HA PRO 32 -7.847 9.858 4.898 248 1HB PRO 32 2HB PRO 32 -9.213 9.033 7.084 249 2HB PRO 32 3HB PRO 32 -10.035 9.624 5.610 250 1HG PRO 32 2HG PRO 32 -9.541 6.747 6.416 251 2HG PRO 32 3HG PRO 32 -11.051 7.497 5.836 252 1HD PRO 32 2HD PRO 32 -9.344 6.111 4.212 253 2HD PRO 32 3HD PRO 32 -10.303 7.485 3.597 254 H GLY 33 H GLY 33 -5.856 9.939 5.708 255 1HA GLY 33 2HA GLY 33 -4.538 9.624 7.630 256 2HA GLY 33 3HA GLY 33 -4.929 7.907 7.692 257 H VAL 34 H VAL 34 -4.325 7.989 4.540 258 HA VAL 34 HA VAL 34 -1.356 7.859 4.823 259 HB VAL 34 HB VAL 34 -3.161 7.037 2.543 260 1HG1 VAL 34 1HG1 VAL 34 -1.055 6.030 1.614 261 2HG1 VAL 34 2HG1 VAL 34 -1.017 7.795 1.636 262 3HG1 VAL 34 3HG1 VAL 34 -0.133 6.877 2.871 263 1HG2 VAL 34 1HG2 VAL 34 -3.125 4.942 3.426 264 2HG2 VAL 34 2HG2 VAL 34 -1.415 5.012 3.799 265 3HG2 VAL 34 3HG2 VAL 34 -2.590 5.661 4.946 266 H THR 35 H THR 35 -0.013 9.260 3.684 267 HA THR 35 HA THR 35 -1.358 11.585 2.361 268 HB THR 35 HB THR 35 0.666 11.526 4.492 269 HG1 THR 35 1HG THR 35 -1.196 12.256 5.136 270 1HG2 THR 35 1HG2 THR 35 1.395 13.811 3.904 271 2HG2 THR 35 2HG2 THR 35 1.995 12.602 2.760 272 3HG2 THR 35 3HG2 THR 35 0.614 13.646 2.312 273 H ASP 36 H ASP 36 1.461 9.275 2.218 274 HA ASP 36 HA ASP 36 1.241 9.692 -0.612 275 1HB ASP 36 2HB ASP 36 3.324 11.092 0.484 276 2HB ASP 36 3HB ASP 36 4.115 9.550 0.095 277 H ALA 37 H ALA 37 2.589 8.055 -1.796 278 HA ALA 37 HA ALA 37 3.039 5.555 -0.446 279 1HB ALA 37 1HB ALA 37 1.178 4.232 -1.336 280 2HB ALA 37 2HB ALA 37 0.539 5.562 -0.360 281 3HB ALA 37 3HB ALA 37 0.504 5.671 -2.133 282 H ASN 38 H ASN 38 4.025 3.916 -1.745 283 HA ASN 38 HA ASN 38 4.672 4.636 -4.529 284 1HB ASN 38 2HB ASN 38 7.213 4.355 -3.328 285 2HB ASN 38 3HB ASN 38 6.505 5.783 -4.054 286 1HD2 ASN 38 1HD2 ASN 38 5.920 4.142 -0.869 287 2HD2 ASN 38 2HD2 ASN 38 6.328 5.582 0.063 288 H VAL 39 H VAL 39 4.296 2.659 -5.370 289 HA VAL 39 HA VAL 39 4.948 0.256 -3.912 290 HB VAL 39 HB VAL 39 2.984 0.378 -5.222 291 1HG1 VAL 39 1HG1 VAL 39 4.714 0.862 -7.695 292 2HG1 VAL 39 2HG1 VAL 39 3.086 0.258 -7.723 293 3HG1 VAL 39 3HG1 VAL 39 3.408 1.861 -7.037 294 1HG2 VAL 39 1HG2 VAL 39 4.248 -1.761 -4.895 295 2HG2 VAL 39 2HG2 VAL 39 3.131 -1.717 -6.263 296 3HG2 VAL 39 3HG2 VAL 39 4.873 -1.545 -6.553 297 H ASN 40 H ASN 40 7.104 -0.289 -3.641 298 HA ASN 40 HA ASN 40 9.065 0.369 -5.757 299 1HB ASN 40 2HB ASN 40 9.543 0.835 -3.380 300 2HB ASN 40 3HB ASN 40 9.442 -0.893 -3.024 301 1HD2 ASN 40 1HD2 ASN 40 11.748 -0.180 -2.238 302 2HD2 ASN 40 2HD2 ASN 40 13.026 -0.362 -3.428 303 H LEU 41 H LEU 41 7.424 -1.191 -6.954 304 HA LEU 41 HA LEU 41 7.755 -4.006 -6.512 305 1HB LEU 41 2HB LEU 41 6.131 -2.338 -8.173 306 2HB LEU 41 3HB LEU 41 6.965 -3.422 -9.255 307 HG LEU 41 HG LEU 41 4.711 -4.129 -8.395 308 1HD1 LEU 41 1HD1 LEU 41 5.333 -6.527 -8.185 309 2HD1 LEU 41 2HD1 LEU 41 6.125 -5.713 -9.546 310 3HD1 LEU 41 3HD1 LEU 41 7.036 -6.041 -8.065 311 1HD2 LEU 41 1HD2 LEU 41 5.944 -5.273 -5.917 312 2HD2 LEU 41 2HD2 LEU 41 5.399 -3.598 -5.886 313 3HD2 LEU 41 3HD2 LEU 41 4.269 -4.894 -6.312 314 H ALA 42 H ALA 42 9.711 -1.706 -8.127 315 HA ALA 42 HA ALA 42 11.346 -3.164 -9.834 316 1HB ALA 42 1HB ALA 42 13.154 -1.713 -9.088 317 2HB ALA 42 2HB ALA 42 11.657 -0.753 -9.204 318 3HB ALA 42 3HB ALA 42 12.266 -1.300 -7.616 319 H THR 43 H THR 43 11.067 -3.428 -6.269 320 HA THR 43 HA THR 43 12.707 -5.878 -6.481 321 HB THR 43 HB THR 43 14.086 -4.062 -5.664 322 HG1 THR 43 1HG THR 43 14.482 -6.212 -5.064 323 1HG2 THR 43 1HG2 THR 43 12.290 -2.853 -4.328 324 2HG2 THR 43 2HG2 THR 43 12.496 -4.097 -3.077 325 3HG2 THR 43 3HG2 THR 43 13.855 -3.058 -3.516 326 H GLU 44 H GLU 44 9.992 -5.768 -6.780 327 HA GLU 44 HA GLU 44 7.943 -6.260 -5.957 328 1HB GLU 44 2HB GLU 44 9.635 -8.544 -4.897 329 2HB GLU 44 3HB GLU 44 7.866 -8.537 -4.972 330 1HG GLU 44 2HG GLU 44 8.050 -8.018 -7.466 331 2HG GLU 44 3HG GLU 44 9.760 -8.464 -7.327 332 H THR 45 H THR 45 8.911 -4.237 -4.280 333 HA THR 45 HA THR 45 7.850 -5.026 -1.601 334 HB THR 45 HB THR 45 10.021 -3.052 -2.440 335 HG1 THR 45 1HG THR 45 10.570 -5.330 -2.365 336 1HG2 THR 45 1HG2 THR 45 8.840 -2.159 -0.478 337 2HG2 THR 45 2HG2 THR 45 8.942 -3.761 0.312 338 3HG2 THR 45 3HG2 THR 45 10.414 -2.817 0.001 339 H VAL 46 H VAL 46 6.589 -3.331 -0.541 340 HA VAL 46 HA VAL 46 5.654 -1.099 -2.297 341 HB VAL 46 HB VAL 46 3.816 -2.531 -2.352 342 1HG1 VAL 46 1HG1 VAL 46 2.810 -3.605 -0.320 343 2HG1 VAL 46 2HG1 VAL 46 4.426 -4.226 -0.651 344 3HG1 VAL 46 3HG1 VAL 46 4.189 -3.025 0.634 345 1HG2 VAL 46 1HG2 VAL 46 2.099 -1.429 -1.073 346 2HG2 VAL 46 2HG2 VAL 46 3.266 -0.758 0.066 347 3HG2 VAL 46 3HG2 VAL 46 3.279 -0.214 -1.628 348 H ASN 47 H ASN 47 5.537 0.953 -1.265 349 HA ASN 47 HA ASN 47 6.164 0.966 1.623 350 1HB ASN 47 2HB ASN 47 7.414 2.588 -0.639 351 2HB ASN 47 3HB ASN 47 7.363 3.190 1.021 352 1HD2 ASN 47 1HD2 ASN 47 8.210 1.584 2.743 353 2HD2 ASN 47 2HD2 ASN 47 9.797 0.965 2.314 354 H VAL 48 H VAL 48 4.950 2.525 2.788 355 HA VAL 48 HA VAL 48 3.013 4.135 1.230 356 HB VAL 48 HB VAL 48 2.275 2.366 3.582 357 1HG1 VAL 48 1HG1 VAL 48 0.535 4.033 1.708 358 2HG1 VAL 48 2HG1 VAL 48 0.016 3.141 3.156 359 3HG1 VAL 48 3HG1 VAL 48 1.039 4.579 3.313 360 1HG2 VAL 48 1HG2 VAL 48 0.834 1.154 1.948 361 2HG2 VAL 48 2HG2 VAL 48 1.614 2.043 0.625 362 3HG2 VAL 48 3HG2 VAL 48 2.557 0.925 1.636 363 H ILE 49 H ILE 49 3.080 6.178 2.000 364 HA ILE 49 HA ILE 49 4.713 6.679 4.395 365 HB ILE 49 HB ILE 49 3.941 8.686 2.241 366 1HG1 ILE 49 2HG1 ILE 49 5.153 7.000 1.047 367 2HG1 ILE 49 3HG1 ILE 49 6.185 8.406 1.286 368 1HG2 ILE 49 1HG2 ILE 49 6.034 8.683 4.453 369 2HG2 ILE 49 2HG2 ILE 49 5.955 9.879 3.141 370 3HG2 ILE 49 3HG2 ILE 49 4.623 9.729 4.291 371 1HD1 ILE 49 1HD1 ILE 49 7.499 6.417 1.729 372 2HD1 ILE 49 2HD1 ILE 49 7.223 7.266 3.267 373 3HD1 ILE 49 3HD1 ILE 49 6.286 5.812 2.873 374 H TYR 50 H TYR 50 3.127 6.434 5.981 375 HA TYR 50 HA TYR 50 0.653 8.107 5.702 376 1HB TYR 50 2HB TYR 50 -0.703 6.409 6.526 377 2HB TYR 50 3HB TYR 50 0.168 5.779 5.168 378 HD1 TYR 50 HD1 TYR 50 0.140 5.829 8.941 379 HD2 TYR 50 HD2 TYR 50 1.187 3.623 5.392 380 HE1 TYR 50 HE1 TYR 50 0.564 3.847 10.306 381 HE2 TYR 50 HE2 TYR 50 1.260 1.548 6.731 382 HH TYR 50 HH TYR 50 1.190 1.549 10.227 383 H ASP 51 H ASP 51 -0.490 8.403 7.617 384 HA ASP 51 HA ASP 51 1.401 9.349 9.631 385 1HB ASP 51 2HB ASP 51 -1.538 9.983 9.305 386 2HB ASP 51 3HB ASP 51 -0.334 10.782 10.339 387 HA PRO 52 HA PRO 52 0.021 5.685 11.880 388 1HB PRO 52 2HB PRO 52 1.840 5.548 13.878 389 2HB PRO 52 3HB PRO 52 2.255 5.221 12.171 390 1HG PRO 52 2HG PRO 52 2.553 7.858 13.652 391 2HG PRO 52 3HG PRO 52 3.823 6.968 12.766 392 1HD PRO 52 2HD PRO 52 2.419 8.957 11.600 393 2HD PRO 52 3HD PRO 52 2.810 7.486 10.658 394 H ALA 53 H ALA 53 -0.639 8.825 12.671 395 HA ALA 53 HA ALA 53 -1.700 8.349 15.381 396 1HB ALA 53 1HB ALA 53 -0.683 10.546 14.862 397 2HB ALA 53 2HB ALA 53 -1.804 10.746 13.495 398 3HB ALA 53 3HB ALA 53 -2.428 10.692 15.156 399 H GLU 54 H GLU 54 -2.469 8.163 11.952 400 HA GLU 54 HA GLU 54 -5.354 8.140 12.553 401 1HB GLU 54 2HB GLU 54 -4.365 10.119 11.303 402 2HB GLU 54 3HB GLU 54 -4.122 9.045 9.927 403 1HG GLU 54 2HG GLU 54 -6.543 8.643 9.786 404 2HG GLU 54 3HG GLU 54 -6.807 9.448 11.343 405 H THR 55 H THR 55 -2.882 6.867 10.281 406 HA THR 55 HA THR 55 -4.363 4.324 10.169 407 HB THR 55 HB THR 55 -2.433 3.836 8.316 408 HG1 THR 55 1HG THR 55 -3.006 6.573 8.139 409 1HG2 THR 55 1HG2 THR 55 -4.794 3.545 8.070 410 2HG2 THR 55 2HG2 THR 55 -5.078 5.314 7.926 411 3HG2 THR 55 3HG2 THR 55 -4.105 4.440 6.699 412 H GLY 56 H GLY 56 -2.499 2.559 9.792 413 1HA GLY 56 2HA GLY 56 -0.575 1.902 11.564 414 2HA GLY 56 3HA GLY 56 -1.968 2.206 12.624 415 H THR 57 H THR 57 -0.981 0.592 9.900 416 HA THR 57 HA THR 57 -1.584 -0.409 8.208 417 HB THR 57 HB THR 57 -1.335 -2.884 8.491 418 HG1 THR 57 1HG THR 57 -1.457 -2.180 11.237 419 1HG2 THR 57 1HG2 THR 57 0.730 -1.491 8.489 420 2HG2 THR 57 2HG2 THR 57 0.614 -1.315 10.254 421 3HG2 THR 57 3HG2 THR 57 0.869 -2.913 9.542 422 H ALA 58 H ALA 58 -3.887 -1.058 10.753 423 HA ALA 58 HA ALA 58 -5.940 -2.426 9.964 424 1HB ALA 58 1HB ALA 58 -5.910 -0.882 11.868 425 2HB ALA 58 2HB ALA 58 -5.887 0.505 10.777 426 3HB ALA 58 3HB ALA 58 -7.348 -0.515 10.881 427 H ALA 59 H ALA 59 -5.443 0.809 8.501 428 HA ALA 59 HA ALA 59 -7.950 0.229 6.977 429 1HB ALA 59 1HB ALA 59 -7.935 2.496 6.145 430 2HB ALA 59 2HB ALA 59 -8.021 2.370 7.909 431 3HB ALA 59 3HB ALA 59 -6.515 2.859 7.133 432 H ILE 60 H ILE 60 -4.541 0.127 6.637 433 HA ILE 60 HA ILE 60 -4.454 0.238 3.761 434 HB ILE 60 HB ILE 60 -2.525 -0.404 6.002 435 1HG1 ILE 60 2HG1 ILE 60 -1.157 1.045 4.238 436 2HG1 ILE 60 3HG1 ILE 60 -2.746 1.455 3.649 437 1HG2 ILE 60 1HG2 ILE 60 -0.794 -1.142 4.559 438 2HG2 ILE 60 2HG2 ILE 60 -2.109 -2.307 4.521 439 3HG2 ILE 60 3HG2 ILE 60 -1.897 -1.183 3.153 440 1HD1 ILE 60 1HD1 ILE 60 -3.259 2.189 6.093 441 2HD1 ILE 60 2HD1 ILE 60 -1.584 1.774 6.488 442 3HD1 ILE 60 3HD1 ILE 60 -1.916 3.094 5.358 443 H GLN 61 H GLN 61 -4.540 -2.434 6.168 444 HA GLN 61 HA GLN 61 -4.385 -4.416 4.075 445 1HB GLN 61 2HB GLN 61 -4.762 -4.428 6.972 446 2HB GLN 61 3HB GLN 61 -5.841 -5.554 6.136 447 1HG GLN 61 2HG GLN 61 -4.054 -6.893 6.591 448 2HG GLN 61 3HG GLN 61 -3.825 -6.482 4.893 449 1HE2 GLN 61 1HE2 GLN 61 -2.898 -3.634 6.154 450 2HE2 GLN 61 2HE2 GLN 61 -1.234 -4.002 6.566 451 H GLU 62 H GLU 62 -7.154 -2.914 5.831 452 HA GLU 62 HA GLU 62 -9.318 -4.109 4.555 453 1HB GLU 62 2HB GLU 62 -8.761 -1.321 5.635 454 2HB GLU 62 3HB GLU 62 -10.307 -1.700 4.869 455 1HG GLU 62 2HG GLU 62 -10.627 -3.576 6.481 456 2HG GLU 62 3HG GLU 62 -9.130 -3.092 7.303 457 H LYS 63 H LYS 63 -7.631 -1.098 3.415 458 HA LYS 63 HA LYS 63 -9.184 -1.002 1.064 459 1HB LYS 63 2HB LYS 63 -6.753 0.370 2.143 460 2HB LYS 63 3HB LYS 63 -7.016 0.382 0.421 461 1HG LYS 63 2HG LYS 63 -9.147 1.253 2.382 462 2HG LYS 63 3HG LYS 63 -7.953 2.372 1.702 463 1HD LYS 63 2HD LYS 63 -9.753 0.711 -0.110 464 2HD LYS 63 3HD LYS 63 -10.258 2.269 0.551 465 1HE LYS 63 2HE LYS 63 -8.488 3.462 -0.535 466 2HE LYS 63 3HE LYS 63 -7.617 1.983 -0.940 467 1HZ LYS 63 1HZ LYS 63 -10.207 2.731 -2.090 468 2HZ LYS 63 2HZ LYS 63 -8.733 2.917 -2.800 469 3HZ LYS 63 3HZ LYS 63 -9.306 1.404 -2.476 470 H ILE 64 H ILE 64 -6.055 -2.580 1.775 471 HA ILE 64 HA ILE 64 -5.021 -3.040 -0.757 472 HB ILE 64 HB ILE 64 -4.824 -4.140 1.950 473 1HG1 ILE 64 2HG1 ILE 64 -3.476 -2.259 1.178 474 2HG1 ILE 64 3HG1 ILE 64 -2.562 -3.666 1.719 475 1HG2 ILE 64 1HG2 ILE 64 -3.956 -5.821 -0.366 476 2HG2 ILE 64 2HG2 ILE 64 -3.279 -5.928 1.282 477 3HG2 ILE 64 3HG2 ILE 64 -4.995 -6.241 1.018 478 1HD1 ILE 64 1HD1 ILE 64 -2.411 -4.307 -0.771 479 2HD1 ILE 64 2HD1 ILE 64 -2.933 -2.640 -1.094 480 3HD1 ILE 64 3HD1 ILE 64 -1.449 -2.933 -0.168 481 H GLU 65 H GLU 65 -7.230 -5.070 1.303 482 HA GLU 65 HA GLU 65 -7.905 -7.060 -0.602 483 1HB GLU 65 2HB GLU 65 -9.412 -5.886 1.770 484 2HB GLU 65 3HB GLU 65 -10.034 -7.233 0.814 485 1HG GLU 65 2HG GLU 65 -7.219 -7.558 1.786 486 2HG GLU 65 3HG GLU 65 -8.488 -7.553 3.018 487 H LYS 66 H LYS 66 -9.694 -4.042 0.232 488 HA LYS 66 HA LYS 66 -11.719 -4.342 -1.679 489 1HB LYS 66 2HB LYS 66 -10.650 -2.175 -0.016 490 2HB LYS 66 3HB LYS 66 -11.260 -1.538 -1.538 491 1HG LYS 66 2HG LYS 66 -12.832 -3.394 0.288 492 2HG LYS 66 3HG LYS 66 -12.902 -1.627 0.383 493 1HD LYS 66 2HD LYS 66 -13.662 -1.497 -1.984 494 2HD LYS 66 3HD LYS 66 -13.602 -3.259 -2.100 495 1HE LYS 66 2HE LYS 66 -15.199 -3.061 0.088 496 2HE LYS 66 3HE LYS 66 -15.552 -1.482 -0.627 497 1HZ LYS 66 1HZ LYS 66 -17.075 -3.159 -1.377 498 2HZ LYS 66 2HZ LYS 66 -16.168 -2.673 -2.662 499 3HZ LYS 66 3HZ LYS 66 -15.859 -4.114 -1.926 500 H LEU 67 H LEU 67 -8.496 -3.020 -2.155 501 HA LEU 67 HA LEU 67 -8.885 -2.099 -4.870 502 1HB LEU 67 2HB LEU 67 -6.464 -2.609 -3.129 503 2HB LEU 67 3HB LEU 67 -6.337 -2.019 -4.784 504 HG LEU 67 HG LEU 67 -8.089 -0.569 -2.762 505 1HD1 LEU 67 1HD1 LEU 67 -5.123 -0.163 -3.240 506 2HD1 LEU 67 2HD1 LEU 67 -6.162 0.931 -2.329 507 3HD1 LEU 67 3HD1 LEU 67 -5.875 -0.718 -1.744 508 1HD2 LEU 67 1HD2 LEU 67 -6.699 0.252 -5.351 509 2HD2 LEU 67 2HD2 LEU 67 -8.443 0.112 -5.077 510 3HD2 LEU 67 3HD2 LEU 67 -7.515 1.379 -4.261 511 H GLY 68 H GLY 68 -8.437 -5.226 -3.450 512 1HA GLY 68 2HA GLY 68 -8.731 -7.211 -4.569 513 2HA GLY 68 3HA GLY 68 -8.356 -6.450 -6.120 514 H TYR 69 H TYR 69 -6.367 -6.251 -3.105 515 HA TYR 69 HA TYR 69 -4.256 -7.931 -4.407 516 1HB TYR 69 2HB TYR 69 -4.245 -5.072 -3.679 517 2HB TYR 69 3HB TYR 69 -2.948 -5.963 -2.912 518 HD1 TYR 69 HD1 TYR 69 -4.632 -5.571 -6.235 519 HD2 TYR 69 HD2 TYR 69 -0.985 -6.470 -4.124 520 HE1 TYR 69 HE1 TYR 69 -3.395 -5.308 -8.294 521 HE2 TYR 69 HE2 TYR 69 0.282 -6.114 -6.174 522 HH TYR 69 HH TYR 69 0.178 -5.547 -8.476 523 H HIS 70 H HIS 70 -2.526 -8.478 -2.767 524 HA HIS 70 HA HIS 70 -3.331 -8.316 0.037 525 1HB HIS 70 2HB HIS 70 -4.322 -10.456 -0.956 526 2HB HIS 70 3HB HIS 70 -2.667 -11.051 -1.107 527 HD1 HIS 70 1HD HIS 70 -1.584 -10.059 1.795 528 HD2 HIS 70 2HD HIS 70 -5.291 -11.891 0.961 529 HE1 HIS 70 1HE HIS 70 -2.421 -11.034 3.977 530 H VAL 71 H VAL 71 -1.521 -7.420 0.944 531 HA VAL 71 HA VAL 71 1.112 -7.826 -0.216 532 HB VAL 71 HB VAL 71 1.802 -6.275 1.503 533 1HG1 VAL 71 1HG1 VAL 71 0.554 -4.322 0.834 534 2HG1 VAL 71 2HG1 VAL 71 0.689 -5.410 -0.563 535 3HG1 VAL 71 3HG1 VAL 71 -0.825 -5.329 0.362 536 1HG2 VAL 71 1HG2 VAL 71 0.496 -6.989 3.432 537 2HG2 VAL 71 2HG2 VAL 71 0.261 -5.266 3.122 538 3HG2 VAL 71 3HG2 VAL 71 -1.003 -6.422 2.669 539 H VAL 72 H VAL 72 2.922 -8.433 1.360 540 HA VAL 72 HA VAL 72 2.094 -10.628 3.202 541 HB VAL 72 HB VAL 72 4.494 -10.748 1.450 542 1HG1 VAL 72 1HG1 VAL 72 3.053 -12.861 3.107 543 2HG1 VAL 72 2HG1 VAL 72 4.494 -13.130 2.107 544 3HG1 VAL 72 3HG1 VAL 72 4.601 -12.099 3.536 545 1HG2 VAL 72 1HG2 VAL 72 2.633 -10.879 -0.073 546 2HG2 VAL 72 2HG2 VAL 72 3.221 -12.525 0.211 547 3HG2 VAL 72 3HG2 VAL 72 1.742 -11.969 1.020 548 H ILE 73 H ILE 73 3.264 -10.757 5.064 549 HA ILE 73 HA ILE 73 4.926 -8.365 5.722 550 HB ILE 73 HB ILE 73 3.284 -9.968 7.652 551 1HG1 ILE 73 2HG1 ILE 73 1.681 -9.049 6.077 552 2HG1 ILE 73 3HG1 ILE 73 1.683 -8.201 7.615 553 1HG2 ILE 73 1HG2 ILE 73 5.196 -8.622 8.507 554 2HG2 ILE 73 2HG2 ILE 73 4.556 -7.184 7.742 555 3HG2 ILE 73 3HG2 ILE 73 3.639 -7.968 9.050 556 1HD1 ILE 73 1HD1 ILE 73 2.844 -6.281 6.663 557 2HD1 ILE 73 2HD1 ILE 73 2.975 -7.112 5.095 558 3HD1 ILE 73 3HD1 ILE 73 1.390 -6.661 5.739 559 H GLU 74 H GLU 74 6.701 -9.865 4.718 560 HA GLU 74 HA GLU 74 7.543 -12.031 6.259 561 1HB GLU 74 2HB GLU 74 8.704 -10.478 3.954 562 2HB GLU 74 3HB GLU 74 9.666 -11.654 4.835 563 1HG GLU 74 2HG GLU 74 7.959 -13.411 4.421 564 2HG GLU 74 3HG GLU 74 7.046 -12.264 3.419 565 H GLY 75 H GLY 75 7.665 -8.907 6.942 566 1HA GLY 75 2HA GLY 75 9.865 -9.176 8.973 567 2HA GLY 75 3HA GLY 75 9.601 -7.672 8.071 568 H ARG 76 H ARG 76 7.663 -10.119 9.833 569 HA ARG 76 HA ARG 76 5.778 -8.087 10.751 570 1HB ARG 76 2HB ARG 76 5.173 -10.445 9.907 571 2HB ARG 76 3HB ARG 76 5.812 -11.053 11.428 572 1HG ARG 76 2HG ARG 76 3.926 -8.800 11.798 573 2HG ARG 76 3HG ARG 76 3.198 -10.113 10.873 574 1HD ARG 76 2HD ARG 76 3.578 -11.713 12.596 575 2HD ARG 76 3HD ARG 76 4.672 -10.660 13.484 576 HE ARG 76 HE ARG 76 1.748 -10.635 13.491 577 1HH1 ARG 76 2HH2 ARG 76 4.641 -8.645 14.114 578 2HH1 ARG 76 1HH2 ARG 76 3.891 -7.670 15.323 579 1HH2 ARG 76 2HH1 ARG 76 0.707 -9.267 15.033 580 2HH2 ARG 76 1HH1 ARG 76 1.591 -7.995 15.814 Start of MODEL 13 1 1H MET 1 H1 MET 1 -4.350 17.226 14.515 2 2H MET 1 H2 MET 1 -5.306 18.463 15.063 3 3H MET 1 H3 MET 1 -3.856 18.784 14.330 4 HA MET 1 HA MET 1 -3.639 19.116 16.627 5 1HB MET 1 2HB MET 1 -4.923 16.400 16.704 6 2HB MET 1 3HB MET 1 -3.627 16.671 17.882 7 1HG MET 1 2HG MET 1 -5.896 18.631 17.533 8 2HG MET 1 3HG MET 1 -5.916 17.312 18.711 9 1HE MET 1 1HE MET 1 -5.807 20.823 18.818 10 2HE MET 1 2HE MET 1 -6.483 19.785 20.103 11 3HE MET 1 3HE MET 1 -5.166 20.928 20.472 12 H LEU 2 H LEU 2 -2.496 15.760 16.303 13 HA LEU 2 HA LEU 2 0.010 16.703 15.076 14 1HB LEU 2 2HB LEU 2 0.375 16.680 17.542 15 2HB LEU 2 3HB LEU 2 -0.248 15.026 17.613 16 HG LEU 2 HG LEU 2 1.659 14.258 16.184 17 1HD1 LEU 2 1HD1 LEU 2 2.592 17.153 16.487 18 2HD1 LEU 2 2HD1 LEU 2 3.614 15.812 15.934 19 3HD1 LEU 2 3HD1 LEU 2 2.230 16.312 14.962 20 1HD2 LEU 2 1HD2 LEU 2 1.763 14.155 18.645 21 2HD2 LEU 2 2HD2 LEU 2 3.360 14.457 17.943 22 3HD2 LEU 2 3HD2 LEU 2 2.455 15.792 18.694 23 H SER 3 H SER 3 0.377 15.369 13.390 24 HA SER 3 HA SER 3 -0.413 12.541 13.546 25 1HB SER 3 2HB SER 3 -0.836 14.301 11.093 26 2HB SER 3 3HB SER 3 -1.117 12.563 11.186 27 HG SER 3 HG SER 3 -3.044 12.949 12.061 28 H GLU 4 H GLU 4 1.489 11.452 13.198 29 HA GLU 4 HA GLU 4 3.973 12.910 12.522 30 1HB GLU 4 2HB GLU 4 3.236 10.364 13.885 31 2HB GLU 4 3HB GLU 4 4.854 10.608 13.281 32 1HG GLU 4 2HG GLU 4 5.207 12.452 14.655 33 2HG GLU 4 3HG GLU 4 3.500 12.549 15.094 34 H GLN 5 H GLN 5 5.426 11.273 11.052 35 HA GLN 5 HA GLN 5 3.722 9.728 9.183 36 1HB GLN 5 2HB GLN 5 5.938 11.665 8.529 37 2HB GLN 5 3HB GLN 5 5.269 10.592 7.333 38 1HG GLN 5 2HG GLN 5 3.531 12.641 8.838 39 2HG GLN 5 3HG GLN 5 4.437 13.014 7.406 40 1HE2 GLN 5 1HE2 GLN 5 3.444 9.751 7.125 41 2HE2 GLN 5 2HE2 GLN 5 2.086 10.055 6.078 42 H LYS 6 H LYS 6 4.612 7.826 8.691 43 HA LYS 6 HA LYS 6 7.520 7.460 8.963 44 1HB LYS 6 2HB LYS 6 5.609 5.415 10.088 45 2HB LYS 6 3HB LYS 6 7.352 5.260 9.939 46 1HG LYS 6 2HG LYS 6 6.967 7.669 11.427 47 2HG LYS 6 3HG LYS 6 5.766 6.547 12.038 48 1HD LYS 6 2HD LYS 6 7.697 6.255 13.369 49 2HD LYS 6 3HD LYS 6 7.712 4.863 12.264 50 1HE LYS 6 2HE LYS 6 9.309 6.201 10.756 51 2HE LYS 6 3HE LYS 6 9.290 7.490 11.964 52 1HZ LYS 6 1HZ LYS 6 10.227 5.932 13.540 53 2HZ LYS 6 2HZ LYS 6 10.276 4.755 12.385 54 3HZ LYS 6 3HZ LYS 6 11.188 6.115 12.216 55 H GLU 7 H GLU 7 8.386 5.930 7.654 56 HA GLU 7 HA GLU 7 6.885 5.374 5.181 57 1HB GLU 7 2HB GLU 7 9.872 5.037 5.451 58 2HB GLU 7 3HB GLU 7 8.864 5.533 4.097 59 1HG GLU 7 2HG GLU 7 10.079 7.425 4.664 60 2HG GLU 7 3HG GLU 7 8.542 7.757 5.467 61 H ILE 8 H ILE 8 5.824 3.425 5.666 62 HA ILE 8 HA ILE 8 7.297 1.307 7.023 63 HB ILE 8 HB ILE 8 4.612 1.160 5.802 64 1HG1 ILE 8 2HG1 ILE 8 4.133 3.118 6.880 65 2HG1 ILE 8 3HG1 ILE 8 3.575 1.797 7.916 66 1HG2 ILE 8 1HG2 ILE 8 5.664 -0.846 6.782 67 2HG2 ILE 8 2HG2 ILE 8 5.809 0.012 8.316 68 3HG2 ILE 8 3HG2 ILE 8 4.192 -0.369 7.654 69 1HD1 ILE 8 1HD1 ILE 8 6.010 3.492 8.288 70 2HD1 ILE 8 2HD1 ILE 8 4.592 3.323 9.349 71 3HD1 ILE 8 3HD1 ILE 8 5.744 1.973 9.159 72 H ALA 9 H ALA 9 7.471 -0.869 5.876 73 HA ALA 9 HA ALA 9 7.493 -0.713 2.920 74 1HB ALA 9 1HB ALA 9 9.738 -1.906 4.585 75 2HB ALA 9 2HB ALA 9 9.636 -1.829 2.818 76 3HB ALA 9 3HB ALA 9 9.836 -0.343 3.774 77 H MET 10 H MET 10 6.410 -2.485 2.105 78 HA MET 10 HA MET 10 6.368 -5.018 3.651 79 1HB MET 10 2HB MET 10 3.888 -3.623 2.519 80 2HB MET 10 3HB MET 10 3.966 -5.254 3.187 81 1HG MET 10 2HG MET 10 3.204 -4.156 5.003 82 2HG MET 10 3HG MET 10 4.924 -4.093 5.324 83 1HE MET 10 1HE MET 10 1.611 -2.295 4.846 84 2HE MET 10 2HE MET 10 2.043 -0.639 4.384 85 3HE MET 10 3HE MET 10 2.240 -1.962 3.210 86 H GLN 11 H GLN 11 5.283 -6.742 2.231 87 HA GLN 11 HA GLN 11 6.341 -6.613 -0.556 88 1HB GLN 11 2HB GLN 11 6.434 -8.594 1.577 89 2HB GLN 11 3HB GLN 11 5.506 -9.256 0.240 90 1HG GLN 11 2HG GLN 11 8.219 -7.994 -0.280 91 2HG GLN 11 3HG GLN 11 8.060 -9.640 0.356 92 1HE2 GLN 11 1HE2 GLN 11 7.368 -7.608 -2.461 93 2HE2 GLN 11 2HE2 GLN 11 6.743 -8.905 -3.466 94 H VAL 12 H VAL 12 4.891 -7.742 -2.197 95 HA VAL 12 HA VAL 12 1.998 -7.588 -1.465 96 HB VAL 12 HB VAL 12 1.655 -7.108 -3.918 97 1HG1 VAL 12 1HG1 VAL 12 1.893 -4.675 -3.602 98 2HG1 VAL 12 2HG1 VAL 12 1.211 -5.452 -2.160 99 3HG1 VAL 12 3HG1 VAL 12 2.921 -4.964 -2.183 100 1HG2 VAL 12 1HG2 VAL 12 3.371 -5.993 -5.143 101 2HG2 VAL 12 2HG2 VAL 12 4.495 -6.049 -3.770 102 3HG2 VAL 12 3HG2 VAL 12 4.035 -7.551 -4.615 103 H SER 13 H SER 13 0.601 -9.045 -2.432 104 HA SER 13 HA SER 13 1.707 -11.340 -3.913 105 1HB SER 13 2HB SER 13 0.261 -11.540 -1.244 106 2HB SER 13 3HB SER 13 0.420 -12.896 -2.373 107 HG SER 13 HG SER 13 2.109 -12.823 -0.785 108 H GLY 14 H GLY 14 -0.079 -12.667 -4.762 109 1HA GLY 14 2HA GLY 14 -2.073 -12.979 -5.850 110 2HA GLY 14 3HA GLY 14 -2.825 -11.920 -4.644 111 H MET 15 H MET 15 -0.650 -11.754 -7.524 112 HA MET 15 HA MET 15 -2.119 -9.375 -8.509 113 1HB MET 15 2HB MET 15 -0.010 -8.273 -8.994 114 2HB MET 15 3HB MET 15 -0.181 -8.550 -7.248 115 1HG MET 15 2HG MET 15 1.487 -10.343 -9.054 116 2HG MET 15 3HG MET 15 2.111 -8.907 -8.255 117 1HE MET 15 1HE MET 15 3.153 -12.037 -8.042 118 2HE MET 15 2HE MET 15 4.033 -10.611 -7.430 119 3HE MET 15 3HE MET 15 3.696 -11.984 -6.348 120 H THR 16 H THR 16 -1.846 -8.979 -10.764 121 HA THR 16 HA THR 16 -0.861 -11.150 -12.486 122 HB THR 16 HB THR 16 -1.274 -9.038 -14.117 123 HG1 THR 16 1HG THR 16 -3.350 -8.443 -12.432 124 1HG2 THR 16 1HG2 THR 16 -2.486 -11.138 -14.299 125 2HG2 THR 16 2HG2 THR 16 -3.482 -10.747 -12.881 126 3HG2 THR 16 3HG2 THR 16 -3.630 -9.789 -14.378 127 H CYS 17 H CYS 17 -0.160 -7.590 -12.227 128 HA CYS 17 HA CYS 17 2.733 -8.128 -12.228 129 1HB CYS 17 2HB CYS 17 2.952 -7.071 -14.492 130 2HB CYS 17 3HB CYS 17 2.042 -8.575 -14.522 131 H ALA 18 H ALA 18 3.801 -5.962 -12.937 132 HA ALA 18 HA ALA 18 3.322 -3.942 -10.963 133 1HB ALA 18 1HB ALA 18 5.058 -2.707 -12.225 134 2HB ALA 18 2HB ALA 18 5.538 -4.399 -12.005 135 3HB ALA 18 3HB ALA 18 4.905 -3.852 -13.573 136 H ALA 19 H ALA 19 3.121 -1.558 -11.886 137 HA ALA 19 HA ALA 19 1.823 0.058 -12.751 138 1HB ALA 19 1HB ALA 19 0.679 -1.875 -14.807 139 2HB ALA 19 2HB ALA 19 0.696 -0.109 -14.835 140 3HB ALA 19 3HB ALA 19 2.222 -1.006 -14.987 141 H CYS 20 H CYS 20 -0.066 -3.030 -12.780 142 HA CYS 20 HA CYS 20 -2.419 -1.852 -11.664 143 1HB CYS 20 2HB CYS 20 -1.347 -4.704 -11.208 144 2HB CYS 20 3HB CYS 20 -3.043 -4.194 -11.108 145 H ALA 21 H ALA 21 0.388 -3.440 -10.179 146 HA ALA 21 HA ALA 21 -0.129 -3.045 -7.476 147 1HB ALA 21 1HB ALA 21 2.284 -3.170 -7.183 148 2HB ALA 21 2HB ALA 21 1.797 -4.310 -8.440 149 3HB ALA 21 3HB ALA 21 2.544 -2.779 -8.904 150 H ALA 22 H ALA 22 0.483 -0.521 -9.864 151 HA ALA 22 HA ALA 22 1.235 1.512 -7.888 152 1HB ALA 22 1HB ALA 22 1.124 3.045 -9.704 153 2HB ALA 22 2HB ALA 22 1.848 1.571 -10.387 154 3HB ALA 22 3HB ALA 22 0.137 1.955 -10.686 155 H ARG 23 H ARG 23 -1.682 0.450 -9.672 156 HA ARG 23 HA ARG 23 -3.254 2.711 -8.947 157 1HB ARG 23 2HB ARG 23 -4.124 -0.126 -9.660 158 2HB ARG 23 3HB ARG 23 -5.220 1.254 -9.566 159 1HG ARG 23 2HG ARG 23 -2.808 1.138 -11.425 160 2HG ARG 23 3HG ARG 23 -4.409 0.607 -11.902 161 1HD ARG 23 2HD ARG 23 -4.248 3.381 -10.737 162 2HD ARG 23 3HD ARG 23 -3.441 3.114 -12.294 163 HE ARG 23 HE ARG 23 -6.029 1.984 -12.450 164 1HH1 ARG 23 2HH2 ARG 23 -4.523 5.146 -12.102 165 2HH1 ARG 23 1HH2 ARG 23 -5.710 6.012 -13.027 166 1HH2 ARG 23 2HH1 ARG 23 -7.628 3.091 -13.733 167 2HH2 ARG 23 1HH1 ARG 23 -7.524 4.804 -13.970 168 H ILE 24 H ILE 24 -2.811 -0.459 -7.378 169 HA ILE 24 HA ILE 24 -4.657 0.027 -5.312 170 HB ILE 24 HB ILE 24 -3.726 -1.716 -4.053 171 1HG1 ILE 24 2HG1 ILE 24 -1.316 -1.294 -5.736 172 2HG1 ILE 24 3HG1 ILE 24 -1.445 -1.196 -3.961 173 1HG2 ILE 24 1HG2 ILE 24 -3.260 -2.518 -6.953 174 2HG2 ILE 24 2HG2 ILE 24 -3.960 -3.463 -5.624 175 3HG2 ILE 24 3HG2 ILE 24 -4.878 -2.138 -6.338 176 1HD1 ILE 24 1HD1 ILE 24 -1.879 -3.658 -3.915 177 2HD1 ILE 24 2HD1 ILE 24 -1.537 -3.680 -5.667 178 3HD1 ILE 24 3HD1 ILE 24 -0.267 -3.219 -4.523 179 H GLU 25 H GLU 25 -1.120 0.662 -5.237 180 HA GLU 25 HA GLU 25 -1.029 1.920 -2.750 181 1HB GLU 25 2HB GLU 25 0.668 1.948 -5.224 182 2HB GLU 25 3HB GLU 25 0.960 3.225 -4.035 183 1HG GLU 25 2HG GLU 25 0.828 0.308 -3.211 184 2HG GLU 25 3HG GLU 25 2.318 1.109 -3.730 185 H LYS 26 H LYS 26 -1.852 3.328 -5.906 186 HA LYS 26 HA LYS 26 -1.756 6.055 -4.860 187 1HB LYS 26 2HB LYS 26 -2.427 4.833 -7.520 188 2HB LYS 26 3HB LYS 26 -2.956 6.478 -7.153 189 1HG LYS 26 2HG LYS 26 -0.801 6.516 -8.281 190 2HG LYS 26 3HG LYS 26 -0.703 7.215 -6.661 191 1HD LYS 26 2HD LYS 26 0.334 5.043 -5.838 192 2HD LYS 26 3HD LYS 26 0.180 4.425 -7.483 193 1HE LYS 26 2HE LYS 26 2.422 5.016 -7.291 194 2HE LYS 26 3HE LYS 26 1.694 6.295 -8.268 195 1HZ LYS 26 1HZ LYS 26 2.403 6.445 -5.376 196 2HZ LYS 26 2HZ LYS 26 3.162 7.182 -6.610 197 3HZ LYS 26 3HZ LYS 26 1.640 7.642 -6.212 198 H GLY 27 H GLY 27 -4.425 3.728 -5.561 199 1HA GLY 27 2HA GLY 27 -6.523 5.486 -4.629 200 2HA GLY 27 3HA GLY 27 -6.581 3.721 -4.680 201 H LEU 28 H LEU 28 -4.302 3.185 -3.063 202 HA LEU 28 HA LEU 28 -5.346 3.295 -0.398 203 1HB LEU 28 2HB LEU 28 -4.054 1.558 -1.307 204 2HB LEU 28 3HB LEU 28 -2.654 2.606 -1.516 205 HG LEU 28 HG LEU 28 -3.881 1.923 1.182 206 1HD1 LEU 28 1HD1 LEU 28 -3.221 -0.097 0.055 207 2HD1 LEU 28 2HD1 LEU 28 -1.652 0.596 -0.410 208 3HD1 LEU 28 3HD1 LEU 28 -2.014 0.276 1.296 209 1HD2 LEU 28 1HD2 LEU 28 -2.502 3.813 1.458 210 2HD2 LEU 28 2HD2 LEU 28 -1.337 2.503 1.704 211 3HD2 LEU 28 3HD2 LEU 28 -1.373 3.347 0.161 212 H LYS 29 H LYS 29 -2.969 5.371 -2.148 213 HA LYS 29 HA LYS 29 -2.407 7.063 0.019 214 1HB LYS 29 2HB LYS 29 -1.483 7.015 -2.495 215 2HB LYS 29 3HB LYS 29 -2.690 8.276 -2.714 216 1HG LYS 29 2HG LYS 29 -1.386 9.046 -0.315 217 2HG LYS 29 3HG LYS 29 -0.129 8.261 -1.238 218 1HD LYS 29 2HD LYS 29 0.190 10.318 -2.121 219 2HD LYS 29 3HD LYS 29 -1.121 9.890 -3.206 220 1HE LYS 29 2HE LYS 29 -1.280 11.449 -0.567 221 2HE LYS 29 3HE LYS 29 -1.371 12.142 -2.184 222 1HZ LYS 29 1HZ LYS 29 -3.448 10.819 -2.423 223 2HZ LYS 29 2HZ LYS 29 -3.309 10.364 -0.844 224 3HZ LYS 29 3HZ LYS 29 -3.519 11.941 -1.211 225 H ARG 30 H ARG 30 -5.413 6.804 -1.778 226 HA ARG 30 HA ARG 30 -6.270 9.554 -1.165 227 1HB ARG 30 2HB ARG 30 -7.282 7.266 -2.774 228 2HB ARG 30 3HB ARG 30 -8.527 8.210 -2.012 229 1HG ARG 30 2HG ARG 30 -6.270 9.492 -3.609 230 2HG ARG 30 3HG ARG 30 -7.698 8.796 -4.389 231 1HD ARG 30 2HD ARG 30 -9.184 10.217 -3.042 232 2HD ARG 30 3HD ARG 30 -7.780 11.019 -2.302 233 HE ARG 30 HE ARG 30 -7.401 11.229 -5.058 234 1HH1 ARG 30 2HH2 ARG 30 -9.860 12.265 -2.758 235 2HH1 ARG 30 1HH2 ARG 30 -10.428 13.604 -3.706 236 1HH2 ARG 30 2HH1 ARG 30 -8.103 13.024 -6.347 237 2HH2 ARG 30 1HH1 ARG 30 -9.380 14.051 -5.791 238 H MET 31 H MET 31 -5.874 6.832 0.785 239 HA MET 31 HA MET 31 -8.419 7.072 2.176 240 1HB MET 31 2HB MET 31 -5.912 5.484 2.854 241 2HB MET 31 3HB MET 31 -7.507 5.238 3.557 242 1HG MET 31 2HG MET 31 -6.678 4.777 0.675 243 2HG MET 31 3HG MET 31 -7.119 3.590 1.871 244 1HE MET 31 1HE MET 31 -9.936 5.316 2.918 245 2HE MET 31 2HE MET 31 -11.073 4.364 1.961 246 3HE MET 31 3HE MET 31 -9.733 3.555 2.814 247 HA PRO 32 HA PRO 32 -7.262 10.161 5.070 248 1HB PRO 32 2HB PRO 32 -8.504 9.367 7.404 249 2HB PRO 32 3HB PRO 32 -9.379 10.028 5.992 250 1HG PRO 32 2HG PRO 32 -8.960 7.119 6.709 251 2HG PRO 32 3HG PRO 32 -10.491 7.922 6.252 252 1HD PRO 32 2HD PRO 32 -9.021 6.536 4.484 253 2HD PRO 32 3HD PRO 32 -9.826 8.048 3.961 254 H GLY 33 H GLY 33 -5.442 10.498 6.314 255 1HA GLY 33 2HA GLY 33 -3.824 9.971 7.936 256 2HA GLY 33 3HA GLY 33 -4.234 8.255 7.831 257 H VAL 34 H VAL 34 -4.128 8.530 4.695 258 HA VAL 34 HA VAL 34 -1.245 7.897 4.660 259 HB VAL 34 HB VAL 34 -3.283 7.416 2.476 260 1HG1 VAL 34 1HG1 VAL 34 -1.507 5.801 1.742 261 2HG1 VAL 34 2HG1 VAL 34 -0.899 7.458 1.754 262 3HG1 VAL 34 3HG1 VAL 34 -0.473 6.353 3.064 263 1HG2 VAL 34 1HG2 VAL 34 -3.981 6.159 4.468 264 2HG2 VAL 34 2HG2 VAL 34 -3.234 5.052 3.315 265 3HG2 VAL 34 3HG2 VAL 34 -2.318 5.599 4.735 266 H THR 35 H THR 35 0.251 9.107 3.693 267 HA THR 35 HA THR 35 -0.642 11.694 2.493 268 HB THR 35 HB THR 35 1.561 10.909 4.301 269 HG1 THR 35 1HG THR 35 0.551 12.508 5.531 270 1HG2 THR 35 1HG2 THR 35 1.362 13.501 2.736 271 2HG2 THR 35 2HG2 THR 35 2.378 13.251 4.176 272 3HG2 THR 35 3HG2 THR 35 2.699 12.322 2.705 273 H ASP 36 H ASP 36 1.739 8.964 2.123 274 HA ASP 36 HA ASP 36 1.759 9.609 -0.714 275 1HB ASP 36 2HB ASP 36 4.100 10.195 1.026 276 2HB ASP 36 3HB ASP 36 4.457 9.197 -0.390 277 H ALA 37 H ALA 37 2.668 7.962 -1.976 278 HA ALA 37 HA ALA 37 2.739 5.246 -0.772 279 1HB ALA 37 1HB ALA 37 0.330 5.843 -0.966 280 2HB ALA 37 2HB ALA 37 0.569 6.106 -2.715 281 3HB ALA 37 3HB ALA 37 0.781 4.494 -2.011 282 H ASN 38 H ASN 38 3.933 3.835 -1.969 283 HA ASN 38 HA ASN 38 4.996 4.706 -4.593 284 1HB ASN 38 2HB ASN 38 7.103 4.079 -2.563 285 2HB ASN 38 3HB ASN 38 7.159 5.080 -4.004 286 1HD2 ASN 38 1HD2 ASN 38 5.769 4.877 -0.735 287 2HD2 ASN 38 2HD2 ASN 38 5.940 6.597 -0.355 288 H VAL 39 H VAL 39 4.576 2.892 -5.673 289 HA VAL 39 HA VAL 39 4.795 0.234 -4.491 290 HB VAL 39 HB VAL 39 2.971 0.692 -5.937 291 1HG1 VAL 39 1HG1 VAL 39 3.379 1.113 -8.438 292 2HG1 VAL 39 2HG1 VAL 39 3.484 2.486 -7.332 293 3HG1 VAL 39 3HG1 VAL 39 4.950 1.747 -7.986 294 1HG2 VAL 39 1HG2 VAL 39 3.238 -1.038 -7.630 295 2HG2 VAL 39 2HG2 VAL 39 4.967 -1.104 -7.342 296 3HG2 VAL 39 3HG2 VAL 39 3.830 -1.535 -6.034 297 H ASN 40 H ASN 40 7.048 0.041 -3.943 298 HA ASN 40 HA ASN 40 9.054 0.585 -6.030 299 1HB ASN 40 2HB ASN 40 9.377 1.212 -3.649 300 2HB ASN 40 3HB ASN 40 9.391 -0.502 -3.218 301 1HD2 ASN 40 1HD2 ASN 40 11.605 0.445 -2.385 302 2HD2 ASN 40 2HD2 ASN 40 12.938 0.299 -3.519 303 H LEU 41 H LEU 41 7.524 -1.117 -7.161 304 HA LEU 41 HA LEU 41 8.023 -3.918 -6.667 305 1HB LEU 41 2HB LEU 41 6.513 -2.266 -8.601 306 2HB LEU 41 3HB LEU 41 7.217 -3.679 -9.350 307 HG LEU 41 HG LEU 41 4.872 -3.862 -8.441 308 1HD1 LEU 41 1HD1 LEU 41 6.943 -5.952 -7.670 309 2HD1 LEU 41 2HD1 LEU 41 5.194 -6.232 -7.802 310 3HD1 LEU 41 3HD1 LEU 41 6.133 -5.785 -9.236 311 1HD2 LEU 41 1HD2 LEU 41 6.075 -4.621 -5.772 312 2HD2 LEU 41 2HD2 LEU 41 5.643 -2.934 -6.070 313 3HD2 LEU 41 3HD2 LEU 41 4.410 -4.200 -6.191 314 H ALA 42 H ALA 42 9.835 -1.452 -8.278 315 HA ALA 42 HA ALA 42 11.579 -2.857 -9.940 316 1HB ALA 42 1HB ALA 42 12.099 -0.689 -7.878 317 2HB ALA 42 2HB ALA 42 13.327 -1.278 -9.007 318 3HB ALA 42 3HB ALA 42 11.858 -0.484 -9.637 319 H THR 43 H THR 43 11.289 -3.084 -6.381 320 HA THR 43 HA THR 43 13.182 -5.344 -6.566 321 HB THR 43 HB THR 43 14.548 -3.592 -5.700 322 HG1 THR 43 1HG THR 43 13.633 -5.365 -3.718 323 1HG2 THR 43 1HG2 THR 43 12.302 -3.032 -3.732 324 2HG2 THR 43 2HG2 THR 43 13.961 -2.426 -3.542 325 3HG2 THR 43 3HG2 THR 43 13.001 -1.947 -4.949 326 H GLU 44 H GLU 44 10.328 -5.359 -6.717 327 HA GLU 44 HA GLU 44 8.405 -6.089 -5.699 328 1HB GLU 44 2HB GLU 44 10.611 -8.022 -5.075 329 2HB GLU 44 3HB GLU 44 9.014 -8.322 -4.402 330 1HG GLU 44 2HG GLU 44 9.223 -9.522 -6.480 331 2HG GLU 44 3HG GLU 44 7.965 -8.288 -6.594 332 H THR 45 H THR 45 9.045 -3.879 -4.243 333 HA THR 45 HA THR 45 8.009 -4.689 -1.605 334 HB THR 45 HB THR 45 9.882 -2.323 -1.964 335 HG1 THR 45 1HG THR 45 11.609 -3.775 -1.439 336 1HG2 THR 45 1HG2 THR 45 8.711 -2.726 0.171 337 2HG2 THR 45 2HG2 THR 45 9.351 -4.392 0.181 338 3HG2 THR 45 3HG2 THR 45 10.459 -3.002 0.365 339 H VAL 46 H VAL 46 6.743 -2.975 -0.573 340 HA VAL 46 HA VAL 46 5.920 -0.698 -2.319 341 HB VAL 46 HB VAL 46 4.113 -2.226 -2.549 342 1HG1 VAL 46 1HG1 VAL 46 4.190 -2.610 0.476 343 2HG1 VAL 46 2HG1 VAL 46 2.872 -3.158 -0.569 344 3HG1 VAL 46 3HG1 VAL 46 4.487 -3.845 -0.768 345 1HG2 VAL 46 1HG2 VAL 46 3.619 0.147 -2.011 346 2HG2 VAL 46 2HG2 VAL 46 2.301 -0.978 -1.604 347 3HG2 VAL 46 3HG2 VAL 46 3.324 -0.311 -0.319 348 H ASN 47 H ASN 47 5.825 1.205 -1.286 349 HA ASN 47 HA ASN 47 6.486 1.245 1.605 350 1HB ASN 47 2HB ASN 47 7.746 2.751 -0.729 351 2HB ASN 47 3HB ASN 47 7.730 3.440 0.895 352 1HD2 ASN 47 1HD2 ASN 47 8.451 1.780 2.697 353 2HD2 ASN 47 2HD2 ASN 47 10.042 1.136 2.317 354 H VAL 48 H VAL 48 5.178 2.698 2.761 355 HA VAL 48 HA VAL 48 3.458 4.506 1.210 356 HB VAL 48 HB VAL 48 2.118 2.514 1.363 357 1HG1 VAL 48 1HG1 VAL 48 2.712 2.459 4.344 358 2HG1 VAL 48 2HG1 VAL 48 1.483 1.489 3.509 359 3HG1 VAL 48 3HG1 VAL 48 3.193 1.264 3.126 360 1HG2 VAL 48 1HG2 VAL 48 1.356 4.767 3.240 361 2HG2 VAL 48 2HG2 VAL 48 0.825 4.444 1.584 362 3HG2 VAL 48 3HG2 VAL 48 0.280 3.406 2.919 363 H ILE 49 H ILE 49 3.329 6.380 2.216 364 HA ILE 49 HA ILE 49 4.666 6.639 4.822 365 HB ILE 49 HB ILE 49 4.429 8.508 2.450 366 1HG1 ILE 49 2HG1 ILE 49 6.948 8.842 3.253 367 2HG1 ILE 49 3HG1 ILE 49 6.687 7.323 4.104 368 1HG2 ILE 49 1HG2 ILE 49 3.768 9.938 4.282 369 2HG2 ILE 49 2HG2 ILE 49 5.131 9.343 5.274 370 3HG2 ILE 49 3HG2 ILE 49 5.415 10.313 3.809 371 1HD1 ILE 49 1HD1 ILE 49 6.060 6.285 1.915 372 2HD1 ILE 49 2HD1 ILE 49 6.267 7.893 1.160 373 3HD1 ILE 49 3HD1 ILE 49 7.671 7.035 1.849 374 H TYR 50 H TYR 50 3.183 6.766 6.415 375 HA TYR 50 HA TYR 50 0.737 8.373 6.028 376 1HB TYR 50 2HB TYR 50 -0.720 6.634 6.790 377 2HB TYR 50 3HB TYR 50 0.077 6.142 5.327 378 HD1 TYR 50 HD1 TYR 50 1.196 3.987 5.273 379 HD2 TYR 50 HD2 TYR 50 0.117 5.740 9.022 380 HE1 TYR 50 HE1 TYR 50 1.548 1.813 6.411 381 HE2 TYR 50 HE2 TYR 50 0.907 3.725 10.200 382 HH TYR 50 HH TYR 50 1.406 1.471 9.934 383 H ASP 51 H ASP 51 -0.427 8.587 8.002 384 HA ASP 51 HA ASP 51 1.376 8.962 10.307 385 1HB ASP 51 2HB ASP 51 -0.039 10.822 9.964 386 2HB ASP 51 3HB ASP 51 -1.480 9.797 9.848 387 HA PRO 52 HA PRO 52 -0.125 5.012 11.864 388 1HB PRO 52 2HB PRO 52 1.621 4.614 13.897 389 2HB PRO 52 3HB PRO 52 2.146 4.628 12.191 390 1HG PRO 52 2HG PRO 52 2.234 6.944 14.153 391 2HG PRO 52 3HG PRO 52 3.578 6.306 13.160 392 1HD PRO 52 2HD PRO 52 2.059 8.430 12.371 393 2HD PRO 52 3HD PRO 52 2.663 7.230 11.185 394 H ALA 53 H ALA 53 -1.106 7.921 13.100 395 HA ALA 53 HA ALA 53 -2.360 6.711 15.506 396 1HB ALA 53 1HB ALA 53 -1.220 8.950 15.721 397 2HB ALA 53 2HB ALA 53 -2.410 9.609 14.582 398 3HB ALA 53 3HB ALA 53 -2.950 8.936 16.123 399 H GLU 54 H GLU 54 -2.872 8.080 12.248 400 HA GLU 54 HA GLU 54 -5.792 7.865 12.472 401 1HB GLU 54 2HB GLU 54 -3.842 9.367 10.808 402 2HB GLU 54 3HB GLU 54 -5.043 8.509 9.844 403 1HG GLU 54 2HG GLU 54 -6.061 10.509 10.062 404 2HG GLU 54 3HG GLU 54 -6.837 9.583 11.343 405 H THR 55 H THR 55 -3.127 6.662 10.390 406 HA THR 55 HA THR 55 -4.613 4.123 10.047 407 HB THR 55 HB THR 55 -3.023 3.648 8.053 408 HG1 THR 55 1HG THR 55 -3.117 6.423 8.099 409 1HG2 THR 55 1HG2 THR 55 -5.367 3.846 7.924 410 2HG2 THR 55 2HG2 THR 55 -5.307 5.619 7.999 411 3HG2 THR 55 3HG2 THR 55 -4.611 4.767 6.595 412 H GLY 56 H GLY 56 -2.086 2.734 9.474 413 1HA GLY 56 2HA GLY 56 -0.623 1.686 11.283 414 2HA GLY 56 3HA GLY 56 -1.986 2.038 12.359 415 H THR 57 H THR 57 -1.071 0.454 9.628 416 HA THR 57 HA THR 57 -1.686 -0.413 7.878 417 HB THR 57 HB THR 57 -1.600 -2.897 8.000 418 HG1 THR 57 1HG THR 57 -1.750 -2.387 10.789 419 1HG2 THR 57 1HG2 THR 57 0.542 -1.646 8.132 420 2HG2 THR 57 2HG2 THR 57 0.403 -1.598 9.906 421 3HG2 THR 57 3HG2 THR 57 0.568 -3.151 9.073 422 H ALA 58 H ALA 58 -4.151 -0.981 10.283 423 HA ALA 58 HA ALA 58 -6.239 -2.246 9.379 424 1HB ALA 58 1HB ALA 58 -6.224 -0.683 11.250 425 2HB ALA 58 2HB ALA 58 -6.037 0.687 10.154 426 3HB ALA 58 3HB ALA 58 -7.571 -0.234 10.170 427 H ALA 59 H ALA 59 -5.389 0.928 7.888 428 HA ALA 59 HA ALA 59 -7.940 0.625 6.304 429 1HB ALA 59 1HB ALA 59 -7.294 2.883 7.190 430 2HB ALA 59 2HB ALA 59 -5.935 2.876 6.015 431 3HB ALA 59 3HB ALA 59 -7.609 2.815 5.447 432 H ILE 60 H ILE 60 -4.487 0.741 5.852 433 HA ILE 60 HA ILE 60 -4.300 0.364 3.061 434 HB ILE 60 HB ILE 60 -2.599 -0.145 5.528 435 1HG1 ILE 60 2HG1 ILE 60 -1.181 1.158 3.542 436 2HG1 ILE 60 3HG1 ILE 60 -2.807 1.744 3.279 437 1HG2 ILE 60 1HG2 ILE 60 -0.714 -0.973 4.197 438 2HG2 ILE 60 2HG2 ILE 60 -2.012 -2.142 4.396 439 3HG2 ILE 60 3HG2 ILE 60 -1.823 -1.301 2.844 440 1HD1 ILE 60 1HD1 ILE 60 -1.563 3.203 4.845 441 2HD1 ILE 60 2HD1 ILE 60 -2.941 2.448 5.668 442 3HD1 ILE 60 3HD1 ILE 60 -1.290 1.832 5.935 443 H GLN 61 H GLN 61 -4.484 -2.101 5.654 444 HA GLN 61 HA GLN 61 -4.287 -4.201 3.746 445 1HB GLN 61 2HB GLN 61 -3.844 -4.034 6.300 446 2HB GLN 61 3HB GLN 61 -5.499 -4.650 6.457 447 1HG GLN 61 2HG GLN 61 -4.863 -6.666 5.205 448 2HG GLN 61 3HG GLN 61 -3.299 -5.958 4.767 449 1HE2 GLN 61 1HE2 GLN 61 -2.001 -5.099 6.804 450 2HE2 GLN 61 2HE2 GLN 61 -1.929 -6.244 8.132 451 H GLU 62 H GLU 62 -7.100 -2.725 5.462 452 HA GLU 62 HA GLU 62 -9.243 -4.144 4.364 453 1HB GLU 62 2HB GLU 62 -8.751 -1.280 5.215 454 2HB GLU 62 3HB GLU 62 -10.217 -1.607 4.337 455 1HG GLU 62 2HG GLU 62 -10.769 -3.409 6.023 456 2HG GLU 62 3HG GLU 62 -9.379 -2.843 6.974 457 H LYS 63 H LYS 63 -7.648 -1.232 2.925 458 HA LYS 63 HA LYS 63 -9.242 -1.405 0.596 459 1HB LYS 63 2HB LYS 63 -6.872 0.198 1.540 460 2HB LYS 63 3HB LYS 63 -7.443 0.336 -0.090 461 1HG LYS 63 2HG LYS 63 -9.362 0.577 2.281 462 2HG LYS 63 3HG LYS 63 -8.375 1.909 1.743 463 1HD LYS 63 2HD LYS 63 -10.469 2.261 0.795 464 2HD LYS 63 3HD LYS 63 -9.392 1.818 -0.532 465 1HE LYS 63 2HE LYS 63 -10.488 -0.299 -0.796 466 2HE LYS 63 3HE LYS 63 -11.216 -0.217 0.832 467 1HZ LYS 63 1HZ LYS 63 -12.809 0.219 -0.873 468 2HZ LYS 63 2HZ LYS 63 -12.605 1.558 0.052 469 3HZ LYS 63 3HZ LYS 63 -11.938 1.486 -1.454 470 H ILE 64 H ILE 64 -5.968 -2.541 1.351 471 HA ILE 64 HA ILE 64 -4.952 -3.069 -1.101 472 HB ILE 64 HB ILE 64 -4.607 -4.044 1.610 473 1HG1 ILE 64 2HG1 ILE 64 -3.257 -2.317 0.371 474 2HG1 ILE 64 3HG1 ILE 64 -2.356 -3.564 1.223 475 1HG2 ILE 64 1HG2 ILE 64 -4.848 -6.223 0.927 476 2HG2 ILE 64 2HG2 ILE 64 -3.950 -5.955 -0.594 477 3HG2 ILE 64 3HG2 ILE 64 -3.116 -5.920 0.976 478 1HD1 ILE 64 1HD1 ILE 64 -1.939 -4.783 -0.855 479 2HD1 ILE 64 2HD1 ILE 64 -2.931 -3.633 -1.769 480 3HD1 ILE 64 3HD1 ILE 64 -1.413 -3.099 -1.010 481 H GLU 65 H GLU 65 -6.976 -5.108 1.095 482 HA GLU 65 HA GLU 65 -7.598 -7.294 -0.571 483 1HB GLU 65 2HB GLU 65 -9.077 -5.999 1.762 484 2HB GLU 65 3HB GLU 65 -9.611 -7.493 0.993 485 1HG GLU 65 2HG GLU 65 -6.807 -7.217 2.089 486 2HG GLU 65 3HG GLU 65 -8.174 -7.687 3.108 487 H LYS 66 H LYS 66 -9.650 -4.414 0.141 488 HA LYS 66 HA LYS 66 -11.703 -5.138 -1.664 489 1HB LYS 66 2HB LYS 66 -10.883 -2.662 -0.217 490 2HB LYS 66 3HB LYS 66 -11.982 -2.417 -1.577 491 1HG LYS 66 2HG LYS 66 -12.544 -4.582 0.465 492 2HG LYS 66 3HG LYS 66 -12.945 -2.905 0.834 493 1HD LYS 66 2HD LYS 66 -14.413 -2.654 -0.996 494 2HD LYS 66 3HD LYS 66 -13.860 -4.107 -1.818 495 1HE LYS 66 2HE LYS 66 -15.233 -4.208 0.911 496 2HE LYS 66 3HE LYS 66 -16.154 -4.159 -0.598 497 1HZ LYS 66 1HZ LYS 66 -15.098 -6.163 -1.302 498 2HZ LYS 66 2HZ LYS 66 -14.165 -6.235 0.051 499 3HZ LYS 66 3HZ LYS 66 -15.798 -6.402 0.163 500 H LEU 67 H LEU 67 -8.706 -3.440 -2.384 501 HA LEU 67 HA LEU 67 -9.437 -2.669 -5.080 502 1HB LEU 67 2HB LEU 67 -6.860 -2.852 -3.493 503 2HB LEU 67 3HB LEU 67 -6.837 -2.505 -5.216 504 HG LEU 67 HG LEU 67 -8.670 -0.850 -3.476 505 1HD1 LEU 67 1HD1 LEU 67 -6.761 -0.489 -2.178 506 2HD1 LEU 67 2HD1 LEU 67 -5.661 -0.686 -3.527 507 3HD1 LEU 67 3HD1 LEU 67 -6.626 0.797 -3.378 508 1HD2 LEU 67 1HD2 LEU 67 -8.712 -0.657 -5.971 509 2HD2 LEU 67 2HD2 LEU 67 -8.183 0.842 -5.191 510 3HD2 LEU 67 3HD2 LEU 67 -6.991 -0.228 -5.952 511 H GLY 68 H GLY 68 -8.584 -5.692 -3.614 512 1HA GLY 68 2HA GLY 68 -8.716 -7.748 -4.638 513 2HA GLY 68 3HA GLY 68 -8.611 -7.012 -6.243 514 H TYR 69 H TYR 69 -6.473 -6.664 -3.336 515 HA TYR 69 HA TYR 69 -4.255 -8.084 -4.731 516 1HB TYR 69 2HB TYR 69 -4.501 -5.241 -4.221 517 2HB TYR 69 3HB TYR 69 -3.262 -5.882 -3.171 518 HD1 TYR 69 HD1 TYR 69 -4.399 -5.810 -6.737 519 HD2 TYR 69 HD2 TYR 69 -1.124 -6.518 -4.024 520 HE1 TYR 69 HE1 TYR 69 -2.833 -5.692 -8.612 521 HE2 TYR 69 HE2 TYR 69 0.464 -6.267 -5.882 522 HH TYR 69 HH TYR 69 -0.530 -5.765 -9.287 523 H HIS 70 H HIS 70 -2.452 -8.452 -2.964 524 HA HIS 70 HA HIS 70 -3.504 -8.274 -0.218 525 1HB HIS 70 2HB HIS 70 -3.855 -10.629 -1.182 526 2HB HIS 70 3HB HIS 70 -2.096 -10.793 -1.141 527 HD1 HIS 70 1HD HIS 70 -4.872 -9.649 1.382 528 HD2 HIS 70 2HD HIS 70 -1.524 -12.178 1.039 529 HE1 HIS 70 1HE HIS 70 -4.531 -10.699 3.654 530 H VAL 71 H VAL 71 -1.752 -8.307 1.385 531 HA VAL 71 HA VAL 71 0.862 -7.416 0.317 532 HB VAL 71 HB VAL 71 -0.506 -5.470 0.778 533 1HG1 VAL 71 1HG1 VAL 71 -0.437 -6.286 3.733 534 2HG1 VAL 71 2HG1 VAL 71 -1.253 -4.882 3.028 535 3HG1 VAL 71 3HG1 VAL 71 -1.870 -6.515 2.723 536 1HG2 VAL 71 1HG2 VAL 71 1.817 -5.119 1.025 537 2HG2 VAL 71 2HG2 VAL 71 1.017 -4.284 2.353 538 3HG2 VAL 71 3HG2 VAL 71 1.825 -5.832 2.662 539 H VAL 72 H VAL 72 2.605 -8.121 1.518 540 HA VAL 72 HA VAL 72 2.011 -10.060 3.703 541 HB VAL 72 HB VAL 72 4.399 -10.085 1.952 542 1HG1 VAL 72 1HG1 VAL 72 3.194 -12.179 3.802 543 2HG1 VAL 72 2HG1 VAL 72 4.648 -12.388 2.803 544 3HG1 VAL 72 3HG1 VAL 72 4.650 -11.216 4.121 545 1HG2 VAL 72 1HG2 VAL 72 1.842 -11.719 1.651 546 2HG2 VAL 72 2HG2 VAL 72 2.473 -10.533 0.481 547 3HG2 VAL 72 3HG2 VAL 72 3.369 -12.028 0.791 548 H ILE 73 H ILE 73 3.099 -9.838 5.547 549 HA ILE 73 HA ILE 73 4.447 -7.228 6.000 550 HB ILE 73 HB ILE 73 3.159 -9.053 8.027 551 1HG1 ILE 73 2HG1 ILE 73 1.390 -8.394 6.533 552 2HG1 ILE 73 3HG1 ILE 73 1.304 -7.468 8.024 553 1HG2 ILE 73 1HG2 ILE 73 4.806 -7.519 8.982 554 2HG2 ILE 73 2HG2 ILE 73 4.129 -6.159 8.085 555 3HG2 ILE 73 3HG2 ILE 73 3.184 -6.938 9.377 556 1HD1 ILE 73 1HD1 ILE 73 2.352 -6.416 5.370 557 2HD1 ILE 73 2HD1 ILE 73 0.793 -6.054 6.120 558 3HD1 ILE 73 3HD1 ILE 73 2.282 -5.495 6.894 559 H GLU 74 H GLU 74 6.399 -8.346 4.978 560 HA GLU 74 HA GLU 74 7.707 -10.336 6.399 561 1HB GLU 74 2HB GLU 74 8.269 -8.790 4.039 562 2HB GLU 74 3HB GLU 74 9.718 -9.032 5.027 563 1HG GLU 74 2HG GLU 74 9.537 -10.847 3.433 564 2HG GLU 74 3HG GLU 74 9.285 -11.479 5.064 565 H GLY 75 H GLY 75 7.238 -7.354 7.431 566 1HA GLY 75 2HA GLY 75 7.964 -6.248 9.372 567 2HA GLY 75 3HA GLY 75 9.143 -7.542 9.644 568 H ARG 76 H ARG 76 8.453 -4.891 7.320 569 HA ARG 76 HA ARG 76 9.652 -3.564 6.075 570 1HB ARG 76 2HB ARG 76 10.120 -2.593 8.150 571 2HB ARG 76 3HB ARG 76 11.453 -3.696 8.491 572 1HG ARG 76 2HG ARG 76 12.867 -2.699 6.854 573 2HG ARG 76 3HG ARG 76 11.525 -1.798 6.119 574 1HD ARG 76 2HD ARG 76 11.354 -0.395 8.119 575 2HD ARG 76 3HD ARG 76 12.610 -1.375 8.930 576 HE ARG 76 HE ARG 76 13.658 -0.487 6.467 577 1HH1 ARG 76 2HH2 ARG 76 12.652 0.890 9.531 578 2HH1 ARG 76 1HH2 ARG 76 13.757 2.235 9.501 579 1HH2 ARG 76 2HH1 ARG 76 15.158 1.271 6.364 580 2HH2 ARG 76 1HH1 ARG 76 15.221 2.453 7.629 Start of MODEL 14 1 1H MET 1 H1 MET 1 -3.506 19.523 14.049 2 2H MET 1 H2 MET 1 -4.488 20.334 15.114 3 3H MET 1 H3 MET 1 -2.852 20.191 15.394 4 HA MET 1 HA MET 1 -4.088 18.738 16.809 5 1HB MET 1 2HB MET 1 -4.807 17.449 14.130 6 2HB MET 1 3HB MET 1 -4.918 16.620 15.695 7 1HG MET 1 2HG MET 1 -6.455 18.247 16.568 8 2HG MET 1 3HG MET 1 -6.553 19.042 14.982 9 1HE MET 1 1HE MET 1 -9.903 16.891 15.705 10 2HE MET 1 2HE MET 1 -8.825 17.488 16.985 11 3HE MET 1 3HE MET 1 -9.258 18.550 15.617 12 H LEU 2 H LEU 2 -3.209 15.997 15.290 13 HA LEU 2 HA LEU 2 -0.289 16.269 15.524 14 1HB LEU 2 2HB LEU 2 -0.892 15.786 17.772 15 2HB LEU 2 3HB LEU 2 -2.212 14.725 17.304 16 HG LEU 2 HG LEU 2 0.359 13.692 16.299 17 1HD1 LEU 2 1HD1 LEU 2 1.264 13.048 18.496 18 2HD1 LEU 2 2HD1 LEU 2 1.284 14.807 18.275 19 3HD1 LEU 2 3HD1 LEU 2 0.044 14.053 19.305 20 1HD2 LEU 2 1HD2 LEU 2 -0.454 11.649 17.435 21 2HD2 LEU 2 2HD2 LEU 2 -1.731 12.582 18.240 22 3HD2 LEU 2 3HD2 LEU 2 -1.759 12.363 16.481 23 H SER 3 H SER 3 0.260 15.416 13.554 24 HA SER 3 HA SER 3 -0.658 12.753 12.973 25 1HB SER 3 2HB SER 3 -0.718 14.363 10.466 26 2HB SER 3 3HB SER 3 -1.746 13.035 10.979 27 HG SER 3 HG SER 3 -1.929 15.670 12.024 28 H GLU 4 H GLU 4 1.394 11.840 12.982 29 HA GLU 4 HA GLU 4 3.685 13.394 11.944 30 1HB GLU 4 2HB GLU 4 3.311 11.013 13.661 31 2HB GLU 4 3HB GLU 4 4.701 10.981 12.605 32 1HG GLU 4 2HG GLU 4 5.187 13.318 13.529 33 2HG GLU 4 3HG GLU 4 4.049 12.866 14.802 34 H GLN 5 H GLN 5 5.172 11.684 10.571 35 HA GLN 5 HA GLN 5 3.478 10.120 8.728 36 1HB GLN 5 2HB GLN 5 5.718 12.045 8.062 37 2HB GLN 5 3HB GLN 5 5.058 10.951 6.874 38 1HG GLN 5 2HG GLN 5 3.345 13.055 8.339 39 2HG GLN 5 3HG GLN 5 4.245 13.373 6.886 40 1HE2 GLN 5 1HE2 GLN 5 3.232 10.139 6.713 41 2HE2 GLN 5 2HE2 GLN 5 1.839 10.382 5.707 42 H LYS 6 H LYS 6 4.476 8.212 8.122 43 HA LYS 6 HA LYS 6 7.341 8.010 8.254 44 1HB LYS 6 2HB LYS 6 5.617 6.165 9.964 45 2HB LYS 6 3HB LYS 6 7.175 5.665 9.295 46 1HG LYS 6 2HG LYS 6 8.080 7.910 10.290 47 2HG LYS 6 3HG LYS 6 6.662 7.831 11.344 48 1HD LYS 6 2HD LYS 6 7.409 5.678 12.229 49 2HD LYS 6 3HD LYS 6 8.647 5.539 10.955 50 1HE LYS 6 2HE LYS 6 9.765 7.608 11.816 51 2HE LYS 6 3HE LYS 6 8.620 7.646 13.168 52 1HZ LYS 6 1HZ LYS 6 10.705 6.604 13.730 53 2HZ LYS 6 2HZ LYS 6 9.488 5.501 13.841 54 3HZ LYS 6 3HZ LYS 6 10.520 5.473 12.551 55 H GLU 7 H GLU 7 8.165 6.156 7.277 56 HA GLU 7 HA GLU 7 6.728 5.524 4.783 57 1HB GLU 7 2HB GLU 7 9.687 5.208 4.935 58 2HB GLU 7 3HB GLU 7 8.649 5.871 3.702 59 1HG GLU 7 2HG GLU 7 9.970 7.669 4.397 60 2HG GLU 7 3HG GLU 7 8.507 7.973 5.332 61 H ILE 8 H ILE 8 5.729 3.641 5.536 62 HA ILE 8 HA ILE 8 7.333 1.641 6.980 63 HB ILE 8 HB ILE 8 4.483 1.710 6.141 64 1HG1 ILE 8 2HG1 ILE 8 4.134 1.842 8.729 65 2HG1 ILE 8 3HG1 ILE 8 5.855 2.182 8.869 66 1HG2 ILE 8 1HG2 ILE 8 5.179 -0.509 6.357 67 2HG2 ILE 8 2HG2 ILE 8 6.030 -0.105 7.899 68 3HG2 ILE 8 3HG2 ILE 8 4.239 -0.074 7.795 69 1HD1 ILE 8 1HD1 ILE 8 4.104 3.856 7.092 70 2HD1 ILE 8 2HD1 ILE 8 4.061 4.086 8.860 71 3HD1 ILE 8 3HD1 ILE 8 5.588 4.292 7.983 72 H ALA 9 H ALA 9 7.218 -0.573 6.007 73 HA ALA 9 HA ALA 9 7.310 -0.651 3.059 74 1HB ALA 9 1HB ALA 9 9.436 -1.844 3.072 75 2HB ALA 9 2HB ALA 9 9.669 -0.267 3.858 76 3HB ALA 9 3HB ALA 9 9.535 -1.734 4.843 77 H MET 10 H MET 10 6.552 -2.665 2.308 78 HA MET 10 HA MET 10 6.616 -4.995 4.001 79 1HB MET 10 2HB MET 10 4.118 -5.419 3.826 80 2HB MET 10 3HB MET 10 4.656 -4.276 5.044 81 1HG MET 10 2HG MET 10 3.901 -3.095 2.418 82 2HG MET 10 3HG MET 10 2.606 -3.837 3.353 83 1HE MET 10 1HE MET 10 2.738 -0.823 2.390 84 2HE MET 10 2HE MET 10 1.355 -1.575 3.216 85 3HE MET 10 3HE MET 10 2.015 -0.034 3.817 86 H GLN 11 H GLN 11 5.235 -6.782 2.732 87 HA GLN 11 HA GLN 11 6.428 -6.812 -0.001 88 1HB GLN 11 2HB GLN 11 5.661 -8.888 2.108 89 2HB GLN 11 3HB GLN 11 5.975 -9.355 0.434 90 1HG GLN 11 2HG GLN 11 7.899 -7.987 2.389 91 2HG GLN 11 3HG GLN 11 7.950 -9.672 1.857 92 1HE2 GLN 11 1HE2 GLN 11 7.645 -9.704 -0.792 93 2HE2 GLN 11 2HE2 GLN 11 8.669 -8.529 -1.611 94 H VAL 12 H VAL 12 5.049 -7.705 -1.728 95 HA VAL 12 HA VAL 12 2.142 -7.257 -1.182 96 HB VAL 12 HB VAL 12 3.122 -5.526 -2.542 97 1HG1 VAL 12 1HG1 VAL 12 3.786 -6.136 -4.896 98 2HG1 VAL 12 2HG1 VAL 12 4.965 -6.567 -3.639 99 3HG1 VAL 12 3HG1 VAL 12 3.928 -7.816 -4.367 100 1HG2 VAL 12 1HG2 VAL 12 1.521 -5.520 -4.316 101 2HG2 VAL 12 2HG2 VAL 12 1.318 -7.276 -4.242 102 3HG2 VAL 12 3HG2 VAL 12 0.758 -6.251 -2.898 103 H SER 13 H SER 13 0.618 -8.631 -2.370 104 HA SER 13 HA SER 13 1.743 -11.052 -3.657 105 1HB SER 13 2HB SER 13 -0.265 -10.948 -1.376 106 2HB SER 13 3HB SER 13 -0.269 -12.283 -2.531 107 HG SER 13 HG SER 13 2.094 -12.396 -1.994 108 H GLY 14 H GLY 14 -0.019 -12.186 -4.864 109 1HA GLY 14 2HA GLY 14 -1.532 -12.156 -6.582 110 2HA GLY 14 3HA GLY 14 -2.439 -10.963 -5.633 111 H MET 15 H MET 15 0.727 -10.998 -7.373 112 HA MET 15 HA MET 15 -0.060 -8.570 -8.882 113 1HB MET 15 2HB MET 15 2.059 -7.511 -8.394 114 2HB MET 15 3HB MET 15 1.288 -7.954 -6.872 115 1HG MET 15 2HG MET 15 3.462 -8.572 -6.485 116 2HG MET 15 3HG MET 15 2.779 -10.112 -6.996 117 1HE MET 15 1HE MET 15 5.869 -9.583 -6.726 118 2HE MET 15 2HE MET 15 5.210 -11.113 -7.351 119 3HE MET 15 3HE MET 15 6.492 -10.265 -8.240 120 H THR 16 H THR 16 1.267 -8.215 -10.735 121 HA THR 16 HA THR 16 3.249 -10.139 -11.565 122 HB THR 16 HB THR 16 1.867 -10.233 -13.926 123 HG1 THR 16 1HG THR 16 -0.042 -10.601 -11.870 124 1HG2 THR 16 1HG2 THR 16 1.686 -12.294 -11.667 125 2HG2 THR 16 2HG2 THR 16 1.224 -12.555 -13.352 126 3HG2 THR 16 3HG2 THR 16 2.908 -12.187 -12.944 127 H CYS 17 H CYS 17 1.077 -7.596 -12.875 128 HA CYS 17 HA CYS 17 3.357 -6.328 -14.245 129 1HB CYS 17 2HB CYS 17 1.651 -4.621 -14.911 130 2HB CYS 17 3HB CYS 17 1.323 -6.265 -15.484 131 H ALA 18 H ALA 18 4.533 -4.685 -13.450 132 HA ALA 18 HA ALA 18 4.064 -3.591 -10.777 133 1HB ALA 18 1HB ALA 18 6.093 -2.275 -11.287 134 2HB ALA 18 2HB ALA 18 6.339 -3.997 -11.648 135 3HB ALA 18 3HB ALA 18 6.053 -2.844 -12.967 136 H ALA 19 H ALA 19 1.760 -3.141 -11.920 137 HA ALA 19 HA ALA 19 1.626 -0.258 -12.620 138 1HB ALA 19 1HB ALA 19 0.414 -0.705 -14.708 139 2HB ALA 19 2HB ALA 19 2.050 -1.388 -14.774 140 3HB ALA 19 3HB ALA 19 0.653 -2.453 -14.502 141 H CYS 20 H CYS 20 -0.429 -3.282 -12.593 142 HA CYS 20 HA CYS 20 -2.692 -1.898 -11.489 143 1HB CYS 20 2HB CYS 20 -1.846 -4.832 -11.558 144 2HB CYS 20 3HB CYS 20 -3.341 -4.301 -10.808 145 H ALA 21 H ALA 21 0.022 -3.682 -10.034 146 HA ALA 21 HA ALA 21 -0.530 -3.206 -7.337 147 1HB ALA 21 1HB ALA 21 1.897 -3.464 -7.014 148 2HB ALA 21 2HB ALA 21 1.259 -4.671 -8.135 149 3HB ALA 21 3HB ALA 21 2.140 -3.276 -8.774 150 H ALA 22 H ALA 22 0.185 -0.746 -9.747 151 HA ALA 22 HA ALA 22 1.069 1.234 -7.766 152 1HB ALA 22 1HB ALA 22 0.034 1.758 -10.565 153 2HB ALA 22 2HB ALA 22 1.021 2.801 -9.537 154 3HB ALA 22 3HB ALA 22 1.723 1.316 -10.214 155 H ARG 23 H ARG 23 -1.923 0.330 -9.544 156 HA ARG 23 HA ARG 23 -3.486 2.578 -8.806 157 1HB ARG 23 2HB ARG 23 -4.201 -0.273 -9.580 158 2HB ARG 23 3HB ARG 23 -5.402 0.734 -8.806 159 1HG ARG 23 2HG ARG 23 -5.886 1.060 -10.950 160 2HG ARG 23 3HG ARG 23 -5.005 2.531 -10.555 161 1HD ARG 23 2HD ARG 23 -3.249 2.007 -11.978 162 2HD ARG 23 3HD ARG 23 -3.382 0.265 -11.665 163 HE ARG 23 HE ARG 23 -5.719 1.090 -13.035 164 1HH1 ARG 23 2HH2 ARG 23 -2.292 0.608 -13.638 165 2HH1 ARG 23 1HH2 ARG 23 -2.479 0.153 -15.308 166 1HH2 ARG 23 2HH1 ARG 23 -6.038 0.409 -15.199 167 2HH2 ARG 23 1HH1 ARG 23 -4.688 0.030 -16.212 168 H ILE 24 H ILE 24 -2.967 -0.525 -7.103 169 HA ILE 24 HA ILE 24 -4.847 -0.009 -5.109 170 HB ILE 24 HB ILE 24 -3.945 -1.794 -3.834 171 1HG1 ILE 24 2HG1 ILE 24 -1.508 -1.291 -5.481 172 2HG1 ILE 24 3HG1 ILE 24 -1.679 -1.318 -3.712 173 1HG2 ILE 24 1HG2 ILE 24 -4.225 -3.471 -5.439 174 2HG2 ILE 24 2HG2 ILE 24 -5.079 -2.111 -6.161 175 3HG2 ILE 24 3HG2 ILE 24 -3.464 -2.543 -6.744 176 1HD1 ILE 24 1HD1 ILE 24 -1.781 -3.730 -5.548 177 2HD1 ILE 24 2HD1 ILE 24 -0.419 -3.270 -4.528 178 3HD1 ILE 24 3HD1 ILE 24 -1.957 -3.767 -3.775 179 H GLU 25 H GLU 25 -1.315 0.607 -4.874 180 HA GLU 25 HA GLU 25 -1.364 2.047 -2.467 181 1HB GLU 25 2HB GLU 25 0.493 1.717 -4.773 182 2HB GLU 25 3HB GLU 25 0.694 3.224 -3.865 183 1HG GLU 25 2HG GLU 25 2.095 1.383 -2.973 184 2HG GLU 25 3HG GLU 25 0.964 2.029 -1.778 185 H LYS 26 H LYS 26 -1.972 3.224 -5.771 186 HA LYS 26 HA LYS 26 -1.858 6.027 -4.979 187 1HB LYS 26 2HB LYS 26 -2.690 4.549 -7.476 188 2HB LYS 26 3HB LYS 26 -3.243 6.205 -7.232 189 1HG LYS 26 2HG LYS 26 -1.258 6.312 -8.520 190 2HG LYS 26 3HG LYS 26 -0.923 6.998 -6.921 191 1HD LYS 26 2HD LYS 26 0.285 4.998 -6.260 192 2HD LYS 26 3HD LYS 26 -0.162 4.201 -7.788 193 1HE LYS 26 2HE LYS 26 1.091 5.724 -9.129 194 2HE LYS 26 3HE LYS 26 1.389 6.814 -7.765 195 1HZ LYS 26 1HZ LYS 26 2.445 4.072 -7.949 196 2HZ LYS 26 2HZ LYS 26 3.283 5.438 -8.321 197 3HZ LYS 26 3HZ LYS 26 2.776 5.190 -6.777 198 H GLY 27 H GLY 27 -4.549 3.731 -5.538 199 1HA GLY 27 2HA GLY 27 -6.674 5.517 -4.791 200 2HA GLY 27 3HA GLY 27 -6.712 3.743 -4.769 201 H LEU 28 H LEU 28 -4.521 3.274 -2.996 202 HA LEU 28 HA LEU 28 -5.885 3.539 -0.488 203 1HB LEU 28 2HB LEU 28 -4.506 1.666 -0.987 204 2HB LEU 28 3HB LEU 28 -3.080 2.670 -1.232 205 HG LEU 28 HG LEU 28 -3.377 1.253 0.895 206 1HD1 LEU 28 1HD1 LEU 28 -2.062 2.961 2.199 207 2HD1 LEU 28 2HD1 LEU 28 -1.479 2.651 0.556 208 3HD1 LEU 28 3HD1 LEU 28 -2.399 4.122 0.909 209 1HD2 LEU 28 1HD2 LEU 28 -4.550 2.124 2.737 210 2HD2 LEU 28 2HD2 LEU 28 -4.766 3.697 2.027 211 3HD2 LEU 28 3HD2 LEU 28 -5.668 2.294 1.402 212 H LYS 29 H LYS 29 -3.229 5.396 -1.990 213 HA LYS 29 HA LYS 29 -2.648 7.145 0.059 214 1HB LYS 29 2HB LYS 29 -1.782 6.994 -2.436 215 2HB LYS 29 3HB LYS 29 -3.028 8.208 -2.727 216 1HG LYS 29 2HG LYS 29 -1.682 9.266 -0.493 217 2HG LYS 29 3HG LYS 29 -0.441 8.332 -1.298 218 1HD LYS 29 2HD LYS 29 -0.126 10.279 -2.481 219 2HD LYS 29 3HD LYS 29 -1.387 9.613 -3.495 220 1HE LYS 29 2HE LYS 29 -1.581 11.709 -1.281 221 2HE LYS 29 3HE LYS 29 -1.862 11.941 -3.001 222 1HZ LYS 29 1HZ LYS 29 -3.534 10.410 -1.096 223 2HZ LYS 29 2HZ LYS 29 -3.903 11.851 -1.774 224 3HZ LYS 29 3HZ LYS 29 -3.827 10.494 -2.714 225 H ARG 30 H ARG 30 -5.763 6.865 -1.468 226 HA ARG 30 HA ARG 30 -6.547 9.638 -0.806 227 1HB ARG 30 2HB ARG 30 -7.271 7.682 -2.779 228 2HB ARG 30 3HB ARG 30 -8.708 8.012 -1.825 229 1HG ARG 30 2HG ARG 30 -8.689 10.306 -2.432 230 2HG ARG 30 3HG ARG 30 -6.974 10.273 -2.904 231 1HD ARG 30 2HD ARG 30 -7.417 8.847 -4.794 232 2HD ARG 30 3HD ARG 30 -9.149 8.747 -4.378 233 HE ARG 30 HE ARG 30 -8.673 11.453 -4.594 234 1HH1 ARG 30 2HH2 ARG 30 -8.275 8.689 -6.744 235 2HH1 ARG 30 1HH2 ARG 30 -8.494 9.583 -8.215 236 1HH2 ARG 30 2HH1 ARG 30 -9.000 12.685 -6.531 237 2HH2 ARG 30 1HH1 ARG 30 -8.934 11.913 -8.079 238 H MET 31 H MET 31 -6.218 6.855 1.028 239 HA MET 31 HA MET 31 -8.689 7.210 2.559 240 1HB MET 31 2HB MET 31 -6.182 5.499 2.849 241 2HB MET 31 3HB MET 31 -7.217 5.750 4.229 242 1HG MET 31 2HG MET 31 -9.145 5.093 2.462 243 2HG MET 31 3HG MET 31 -7.786 4.247 1.742 244 1HE MET 31 1HE MET 31 -10.433 4.524 4.572 245 2HE MET 31 2HE MET 31 -10.761 3.351 3.270 246 3HE MET 31 3HE MET 31 -10.516 2.786 4.938 247 HA PRO 32 HA PRO 32 -7.306 10.231 5.504 248 1HB PRO 32 2HB PRO 32 -8.121 9.147 7.917 249 2HB PRO 32 3HB PRO 32 -9.233 9.900 6.737 250 1HG PRO 32 2HG PRO 32 -8.581 6.952 7.022 251 2HG PRO 32 3HG PRO 32 -10.203 7.709 6.965 252 1HD PRO 32 2HD PRO 32 -9.154 6.659 4.758 253 2HD PRO 32 3HD PRO 32 -9.936 8.252 4.640 254 H GLY 33 H GLY 33 -5.470 10.590 6.768 255 1HA GLY 33 2HA GLY 33 -3.624 10.127 8.045 256 2HA GLY 33 3HA GLY 33 -4.028 8.411 8.046 257 H VAL 34 H VAL 34 -4.127 8.410 4.944 258 HA VAL 34 HA VAL 34 -1.226 8.059 4.620 259 HB VAL 34 HB VAL 34 -3.388 7.501 2.579 260 1HG1 VAL 34 1HG1 VAL 34 -1.111 7.718 1.648 261 2HG1 VAL 34 2HG1 VAL 34 -0.451 6.690 2.917 262 3HG1 VAL 34 3HG1 VAL 34 -1.528 6.001 1.705 263 1HG2 VAL 34 1HG2 VAL 34 -3.861 6.124 4.546 264 2HG2 VAL 34 2HG2 VAL 34 -3.118 5.119 3.297 265 3HG2 VAL 34 3HG2 VAL 34 -2.151 5.664 4.683 266 H THR 35 H THR 35 0.091 9.364 3.472 267 HA THR 35 HA THR 35 -1.104 11.858 2.309 268 HB THR 35 HB THR 35 1.005 11.325 4.254 269 HG1 THR 35 1HG THR 35 0.296 13.208 5.042 270 1HG2 THR 35 1HG2 THR 35 2.554 12.033 2.618 271 2HG2 THR 35 2HG2 THR 35 1.512 13.396 2.110 272 3HG2 THR 35 3HG2 THR 35 2.272 13.384 3.718 273 H ASP 36 H ASP 36 1.479 9.317 1.922 274 HA ASP 36 HA ASP 36 1.300 9.810 -0.932 275 1HB ASP 36 2HB ASP 36 3.643 10.712 0.635 276 2HB ASP 36 3HB ASP 36 4.064 9.560 -0.638 277 H ALA 37 H ALA 37 2.428 8.116 -2.133 278 HA ALA 37 HA ALA 37 3.066 5.681 -0.684 279 1HB ALA 37 1HB ALA 37 1.266 4.283 -1.593 280 2HB ALA 37 2HB ALA 37 0.559 5.599 -0.643 281 3HB ALA 37 3HB ALA 37 0.550 5.685 -2.418 282 H ASN 38 H ASN 38 4.144 4.075 -1.888 283 HA ASN 38 HA ASN 38 4.811 4.724 -4.686 284 1HB ASN 38 2HB ASN 38 7.324 4.461 -3.421 285 2HB ASN 38 3HB ASN 38 6.641 5.862 -4.221 286 1HD2 ASN 38 1HD2 ASN 38 5.985 4.370 -0.970 287 2HD2 ASN 38 2HD2 ASN 38 6.377 5.857 -0.105 288 H VAL 39 H VAL 39 4.230 2.728 -5.372 289 HA VAL 39 HA VAL 39 5.003 0.352 -3.861 290 HB VAL 39 HB VAL 39 2.872 0.724 -5.218 291 1HG1 VAL 39 1HG1 VAL 39 3.691 1.604 -7.276 292 2HG1 VAL 39 2HG1 VAL 39 4.728 0.210 -7.577 293 3HG1 VAL 39 3HG1 VAL 39 2.980 0.014 -7.599 294 1HG2 VAL 39 1HG2 VAL 39 2.870 -1.699 -5.923 295 2HG2 VAL 39 2HG2 VAL 39 4.543 -1.774 -5.313 296 3HG2 VAL 39 3HG2 VAL 39 3.208 -1.316 -4.246 297 H ASN 40 H ASN 40 6.749 -1.142 -4.494 298 HA ASN 40 HA ASN 40 8.666 -0.092 -6.519 299 1HB ASN 40 2HB ASN 40 9.214 0.824 -4.278 300 2HB ASN 40 3HB ASN 40 9.324 -0.826 -3.640 301 1HD2 ASN 40 1HD2 ASN 40 11.572 0.281 -3.152 302 2HD2 ASN 40 2HD2 ASN 40 12.799 0.007 -4.375 303 H LEU 41 H LEU 41 7.384 -1.916 -7.517 304 HA LEU 41 HA LEU 41 7.777 -4.598 -6.563 305 1HB LEU 41 2HB LEU 41 6.886 -3.697 -9.335 306 2HB LEU 41 3HB LEU 41 6.782 -5.301 -8.643 307 HG LEU 41 HG LEU 41 4.622 -4.457 -8.477 308 1HD1 LEU 41 1HD1 LEU 41 5.411 -5.410 -6.332 309 2HD1 LEU 41 2HD1 LEU 41 5.772 -3.774 -5.740 310 3HD1 LEU 41 3HD1 LEU 41 4.105 -4.217 -6.135 311 1HD2 LEU 41 1HD2 LEU 41 3.935 -2.283 -7.878 312 2HD2 LEU 41 2HD2 LEU 41 5.533 -1.830 -7.309 313 3HD2 LEU 41 3HD2 LEU 41 5.245 -2.083 -9.041 314 H ALA 42 H ALA 42 9.682 -2.497 -8.504 315 HA ALA 42 HA ALA 42 11.337 -4.145 -9.994 316 1HB ALA 42 1HB ALA 42 11.536 -1.669 -9.863 317 2HB ALA 42 2HB ALA 42 12.209 -1.830 -8.220 318 3HB ALA 42 3HB ALA 42 13.095 -2.486 -9.607 319 H THR 43 H THR 43 11.342 -3.700 -6.441 320 HA THR 43 HA THR 43 13.215 -6.020 -6.247 321 HB THR 43 HB THR 43 14.389 -4.021 -5.588 322 HG1 THR 43 1HG THR 43 13.620 -5.746 -3.491 323 1HG2 THR 43 1HG2 THR 43 13.754 -2.714 -3.619 324 2HG2 THR 43 2HG2 THR 43 12.476 -2.609 -4.841 325 3HG2 THR 43 3HG2 THR 43 12.269 -3.657 -3.422 326 H GLU 44 H GLU 44 10.316 -6.001 -6.511 327 HA GLU 44 HA GLU 44 8.348 -6.583 -5.515 328 1HB GLU 44 2HB GLU 44 10.316 -8.569 -4.330 329 2HB GLU 44 3HB GLU 44 8.553 -8.735 -4.308 330 1HG GLU 44 2HG GLU 44 8.504 -8.607 -6.806 331 2HG GLU 44 3HG GLU 44 10.277 -8.609 -6.812 332 H THR 45 H THR 45 8.850 -4.310 -4.185 333 HA THR 45 HA THR 45 7.940 -4.963 -1.448 334 HB THR 45 HB THR 45 10.262 -3.159 -2.280 335 HG1 THR 45 1HG THR 45 10.079 -5.741 -1.382 336 1HG2 THR 45 1HG2 THR 45 10.584 -2.880 0.181 337 2HG2 THR 45 2HG2 THR 45 9.152 -2.071 -0.482 338 3HG2 THR 45 3HG2 THR 45 8.976 -3.611 0.418 339 H VAL 46 H VAL 46 6.913 -3.020 -0.438 340 HA VAL 46 HA VAL 46 6.139 -0.874 -2.338 341 HB VAL 46 HB VAL 46 4.290 -2.294 -2.579 342 1HG1 VAL 46 1HG1 VAL 46 3.090 -3.394 -0.673 343 2HG1 VAL 46 2HG1 VAL 46 4.699 -4.043 -0.995 344 3HG1 VAL 46 3HG1 VAL 46 4.452 -2.921 0.360 345 1HG2 VAL 46 1HG2 VAL 46 2.445 -1.244 -1.398 346 2HG2 VAL 46 2HG2 VAL 46 3.520 -0.540 -0.195 347 3HG2 VAL 46 3HG2 VAL 46 3.611 0.006 -1.886 348 H ASN 47 H ASN 47 5.800 1.188 -1.325 349 HA ASN 47 HA ASN 47 6.322 1.238 1.590 350 1HB ASN 47 2HB ASN 47 7.603 2.867 -0.652 351 2HB ASN 47 3HB ASN 47 7.488 3.482 1.000 352 1HD2 ASN 47 1HD2 ASN 47 8.300 1.885 2.767 353 2HD2 ASN 47 2HD2 ASN 47 9.902 1.267 2.387 354 H VAL 48 H VAL 48 5.028 2.778 2.680 355 HA VAL 48 HA VAL 48 3.170 4.374 1.025 356 HB VAL 48 HB VAL 48 2.289 2.655 3.361 357 1HG1 VAL 48 1HG1 VAL 48 0.572 4.177 1.350 358 2HG1 VAL 48 2HG1 VAL 48 0.094 3.483 2.913 359 3HG1 VAL 48 3HG1 VAL 48 1.102 4.936 2.849 360 1HG2 VAL 48 1HG2 VAL 48 1.762 2.322 0.377 361 2HG2 VAL 48 2HG2 VAL 48 2.685 1.213 1.400 362 3HG2 VAL 48 3HG2 VAL 48 0.945 1.412 1.665 363 H ILE 49 H ILE 49 3.074 6.397 1.828 364 HA ILE 49 HA ILE 49 4.711 6.955 4.198 365 HB ILE 49 HB ILE 49 3.838 8.937 2.081 366 1HG1 ILE 49 2HG1 ILE 49 5.105 7.333 0.843 367 2HG1 ILE 49 3HG1 ILE 49 6.069 8.784 1.091 368 1HG2 ILE 49 1HG2 ILE 49 5.783 10.225 2.984 369 2HG2 ILE 49 2HG2 ILE 49 4.489 9.965 4.163 370 3HG2 ILE 49 3HG2 ILE 49 5.967 8.999 4.256 371 1HD1 ILE 49 1HD1 ILE 49 7.493 6.864 1.429 372 2HD1 ILE 49 2HD1 ILE 49 7.235 7.638 3.001 373 3HD1 ILE 49 3HD1 ILE 49 6.357 6.149 2.584 374 H TYR 50 H TYR 50 3.290 6.964 5.946 375 HA TYR 50 HA TYR 50 0.753 8.493 5.726 376 1HB TYR 50 2HB TYR 50 -0.590 6.664 6.545 377 2HB TYR 50 3HB TYR 50 0.150 6.236 5.022 378 HD1 TYR 50 HD1 TYR 50 0.172 5.596 8.673 379 HD2 TYR 50 HD2 TYR 50 1.740 4.388 4.871 380 HE1 TYR 50 HE1 TYR 50 1.028 3.487 9.660 381 HE2 TYR 50 HE2 TYR 50 2.155 2.118 5.756 382 HH TYR 50 HH TYR 50 1.894 0.711 7.576 383 H ASP 51 H ASP 51 -0.359 8.558 7.773 384 HA ASP 51 HA ASP 51 1.554 9.146 9.952 385 1HB ASP 51 2HB ASP 51 -0.207 10.756 9.532 386 2HB ASP 51 3HB ASP 51 -1.440 9.508 9.701 387 HA PRO 52 HA PRO 52 0.488 4.930 11.328 388 1HB PRO 52 2HB PRO 52 2.495 4.406 13.030 389 2HB PRO 52 3HB PRO 52 2.760 4.499 11.272 390 1HG PRO 52 2HG PRO 52 3.165 6.735 13.307 391 2HG PRO 52 3HG PRO 52 4.353 6.149 12.106 392 1HD PRO 52 2HD PRO 52 2.752 8.308 11.637 393 2HD PRO 52 3HD PRO 52 3.170 7.158 10.331 394 H ALA 53 H ALA 53 -0.012 7.912 12.892 395 HA ALA 53 HA ALA 53 -0.912 6.700 15.427 396 1HB ALA 53 1HB ALA 53 -1.671 8.941 15.918 397 2HB ALA 53 2HB ALA 53 0.010 9.032 15.343 398 3HB ALA 53 3HB ALA 53 -1.333 9.481 14.267 399 H GLU 54 H GLU 54 -1.970 7.645 12.153 400 HA GLU 54 HA GLU 54 -4.765 7.418 13.015 401 1HB GLU 54 2HB GLU 54 -3.682 9.541 11.878 402 2HB GLU 54 3HB GLU 54 -3.956 8.643 10.388 403 1HG GLU 54 2HG GLU 54 -5.935 9.828 10.557 404 2HG GLU 54 3HG GLU 54 -6.424 8.370 11.437 405 H THR 55 H THR 55 -2.717 6.687 10.178 406 HA THR 55 HA THR 55 -4.102 4.151 9.837 407 HB THR 55 HB THR 55 -2.436 4.092 7.632 408 HG1 THR 55 1HG THR 55 -3.668 6.436 7.412 409 1HG2 THR 55 1HG2 THR 55 -4.562 4.588 6.488 410 2HG2 THR 55 2HG2 THR 55 -4.820 3.434 7.826 411 3HG2 THR 55 3HG2 THR 55 -5.284 5.156 8.019 412 H GLY 56 H GLY 56 -2.119 2.624 8.837 413 1HA GLY 56 2HA GLY 56 -0.147 1.722 10.506 414 2HA GLY 56 3HA GLY 56 -1.719 1.369 11.281 415 H THR 57 H THR 57 -1.897 -0.821 10.670 416 HA THR 57 HA THR 57 -1.411 -1.737 7.924 417 HB THR 57 HB THR 57 -1.904 -3.942 9.063 418 HG1 THR 57 1HG THR 57 -2.922 -3.632 10.922 419 1HG2 THR 57 1HG2 THR 57 0.422 -3.022 8.819 420 2HG2 THR 57 2HG2 THR 57 0.263 -2.193 10.377 421 3HG2 THR 57 3HG2 THR 57 0.236 -3.964 10.311 422 H ALA 58 H ALA 58 -3.923 -1.097 10.295 423 HA ALA 58 HA ALA 58 -5.937 -2.627 9.493 424 1HB ALA 58 1HB ALA 58 -7.487 -0.999 10.550 425 2HB ALA 58 2HB ALA 58 -6.013 -1.246 11.507 426 3HB ALA 58 3HB ALA 58 -6.197 0.221 10.525 427 H ALA 59 H ALA 59 -5.617 0.644 8.330 428 HA ALA 59 HA ALA 59 -8.090 0.349 6.755 429 1HB ALA 59 1HB ALA 59 -7.008 2.517 7.867 430 2HB ALA 59 2HB ALA 59 -6.265 2.666 6.247 431 3HB ALA 59 3HB ALA 59 -8.030 2.593 6.445 432 H ILE 60 H ILE 60 -4.650 0.149 6.234 433 HA ILE 60 HA ILE 60 -4.634 0.039 3.385 434 HB ILE 60 HB ILE 60 -2.710 -0.636 5.626 435 1HG1 ILE 60 2HG1 ILE 60 -1.309 0.894 4.187 436 2HG1 ILE 60 3HG1 ILE 60 -2.680 0.964 3.073 437 1HG2 ILE 60 1HG2 ILE 60 -2.304 -1.499 2.731 438 2HG2 ILE 60 2HG2 ILE 60 -1.044 -1.428 3.979 439 3HG2 ILE 60 3HG2 ILE 60 -2.370 -2.572 4.150 440 1HD1 ILE 60 1HD1 ILE 60 -2.689 1.896 6.003 441 2HD1 ILE 60 2HD1 ILE 60 -2.423 2.967 4.623 442 3HD1 ILE 60 3HD1 ILE 60 -3.991 2.197 4.842 443 H GLN 61 H GLN 61 -4.711 -2.615 5.829 444 HA GLN 61 HA GLN 61 -4.844 -4.613 3.826 445 1HB GLN 61 2HB GLN 61 -4.925 -4.515 6.678 446 2HB GLN 61 3HB GLN 61 -6.318 -5.450 6.153 447 1HG GLN 61 2HG GLN 61 -5.043 -7.239 5.855 448 2HG GLN 61 3HG GLN 61 -4.094 -6.436 4.615 449 1HE2 GLN 61 1HE2 GLN 61 -2.549 -4.591 5.843 450 2HE2 GLN 61 2HE2 GLN 61 -1.538 -5.389 7.042 451 H GLU 62 H GLU 62 -7.459 -2.882 5.588 452 HA GLU 62 HA GLU 62 -9.702 -4.059 4.402 453 1HB GLU 62 2HB GLU 62 -9.030 -1.325 5.506 454 2HB GLU 62 3HB GLU 62 -10.505 -1.480 4.573 455 1HG GLU 62 2HG GLU 62 -11.125 -3.459 6.086 456 2HG GLU 62 3HG GLU 62 -9.768 -2.961 7.116 457 H LYS 63 H LYS 63 -7.884 -1.205 3.107 458 HA LYS 63 HA LYS 63 -9.445 -1.064 0.751 459 1HB LYS 63 2HB LYS 63 -6.804 0.001 1.770 460 2HB LYS 63 3HB LYS 63 -7.195 0.205 0.095 461 1HG LYS 63 2HG LYS 63 -9.058 1.005 2.357 462 2HG LYS 63 3HG LYS 63 -7.848 2.071 1.640 463 1HD LYS 63 2HD LYS 63 -10.156 0.866 0.066 464 2HD LYS 63 3HD LYS 63 -10.170 2.456 0.807 465 1HE LYS 63 2HE LYS 63 -8.992 3.412 -0.854 466 2HE LYS 63 3HE LYS 63 -7.737 2.180 -0.792 467 1HZ LYS 63 1HZ LYS 63 -8.798 2.197 -2.902 468 2HZ LYS 63 2HZ LYS 63 -9.085 0.768 -2.145 469 3HZ LYS 63 3HZ LYS 63 -10.277 1.904 -2.242 470 H ILE 64 H ILE 64 -6.372 -2.741 1.479 471 HA ILE 64 HA ILE 64 -5.438 -3.327 -1.023 472 HB ILE 64 HB ILE 64 -5.242 -4.383 1.720 473 1HG1 ILE 64 2HG1 ILE 64 -3.867 -2.515 0.638 474 2HG1 ILE 64 3HG1 ILE 64 -3.013 -3.786 1.507 475 1HG2 ILE 64 1HG2 ILE 64 -4.418 -6.064 -0.585 476 2HG2 ILE 64 2HG2 ILE 64 -3.722 -6.186 1.056 477 3HG2 ILE 64 3HG2 ILE 64 -5.444 -6.486 0.816 478 1HD1 ILE 64 1HD1 ILE 64 -3.333 -3.689 -1.520 479 2HD1 ILE 64 2HD1 ILE 64 -1.882 -3.243 -0.588 480 3HD1 ILE 64 3HD1 ILE 64 -2.457 -4.918 -0.595 481 H GLU 65 H GLU 65 -7.595 -5.206 1.186 482 HA GLU 65 HA GLU 65 -8.407 -7.292 -0.535 483 1HB GLU 65 2HB GLU 65 -9.667 -5.903 1.857 484 2HB GLU 65 3HB GLU 65 -10.501 -7.216 1.016 485 1HG GLU 65 2HG GLU 65 -7.645 -7.734 1.789 486 2HG GLU 65 3HG GLU 65 -8.844 -7.654 3.088 487 H LYS 66 H LYS 66 -10.132 -4.170 0.132 488 HA LYS 66 HA LYS 66 -12.239 -4.734 -1.695 489 1HB LYS 66 2HB LYS 66 -11.229 -2.235 -0.344 490 2HB LYS 66 3HB LYS 66 -12.308 -2.057 -1.730 491 1HG LYS 66 2HG LYS 66 -13.695 -2.067 0.188 492 2HG LYS 66 3HG LYS 66 -13.959 -3.576 -0.690 493 1HD LYS 66 2HD LYS 66 -12.306 -4.667 0.967 494 2HD LYS 66 3HD LYS 66 -12.356 -3.136 1.867 495 1HE LYS 66 2HE LYS 66 -14.865 -3.416 2.059 496 2HE LYS 66 3HE LYS 66 -14.715 -4.979 1.234 497 1HZ LYS 66 1HZ LYS 66 -13.289 -5.706 3.053 498 2HZ LYS 66 2HZ LYS 66 -13.503 -4.267 3.829 499 3HZ LYS 66 3HZ LYS 66 -14.782 -5.272 3.588 500 H LEU 67 H LEU 67 -9.083 -3.313 -2.317 501 HA LEU 67 HA LEU 67 -9.634 -2.557 -5.063 502 1HB LEU 67 2HB LEU 67 -7.143 -2.856 -3.365 503 2HB LEU 67 3HB LEU 67 -7.044 -2.497 -5.087 504 HG LEU 67 HG LEU 67 -8.884 -0.812 -3.399 505 1HD1 LEU 67 1HD1 LEU 67 -5.868 -0.708 -3.346 506 2HD1 LEU 67 2HD1 LEU 67 -6.812 0.776 -3.141 507 3HD1 LEU 67 3HD1 LEU 67 -6.996 -0.579 -2.019 508 1HD2 LEU 67 1HD2 LEU 67 -7.103 -0.195 -5.800 509 2HD2 LEU 67 2HD2 LEU 67 -8.841 -0.544 -5.871 510 3HD2 LEU 67 3HD2 LEU 67 -8.266 0.916 -5.050 511 H GLY 68 H GLY 68 -9.109 -5.603 -3.525 512 1HA GLY 68 2HA GLY 68 -9.250 -7.667 -4.507 513 2HA GLY 68 3HA GLY 68 -9.105 -6.953 -6.121 514 H TYR 69 H TYR 69 -6.951 -6.578 -3.238 515 HA TYR 69 HA TYR 69 -4.773 -8.056 -4.637 516 1HB TYR 69 2HB TYR 69 -5.010 -5.197 -4.145 517 2HB TYR 69 3HB TYR 69 -3.716 -5.835 -3.157 518 HD1 TYR 69 HD1 TYR 69 -1.643 -6.563 -4.119 519 HD2 TYR 69 HD2 TYR 69 -5.017 -5.685 -6.657 520 HE1 TYR 69 HE1 TYR 69 -0.161 -6.475 -6.054 521 HE2 TYR 69 HE2 TYR 69 -3.539 -5.687 -8.624 522 HH TYR 69 HH TYR 69 -0.035 -6.381 -8.366 523 H HIS 70 H HIS 70 -2.872 -8.250 -2.924 524 HA HIS 70 HA HIS 70 -3.830 -8.253 -0.197 525 1HB HIS 70 2HB HIS 70 -4.338 -10.571 -1.315 526 2HB HIS 70 3HB HIS 70 -2.608 -10.849 -1.128 527 HD1 HIS 70 1HD HIS 70 -4.732 -9.007 1.539 528 HD2 HIS 70 2HD HIS 70 -3.215 -12.828 0.659 529 HE1 HIS 70 1HE HIS 70 -5.092 -10.424 3.617 530 H VAL 71 H VAL 71 -1.990 -8.514 1.357 531 HA VAL 71 HA VAL 71 0.609 -7.797 0.189 532 HB VAL 71 HB VAL 71 -0.714 -5.730 0.479 533 1HG1 VAL 71 1HG1 VAL 71 -2.005 -6.440 2.562 534 2HG1 VAL 71 2HG1 VAL 71 -0.503 -6.264 3.488 535 3HG1 VAL 71 3HG1 VAL 71 -1.230 -4.853 2.711 536 1HG2 VAL 71 1HG2 VAL 71 0.914 -4.392 1.694 537 2HG2 VAL 71 2HG2 VAL 71 1.711 -5.875 2.259 538 3HG2 VAL 71 3HG2 VAL 71 1.632 -5.478 0.513 539 H VAL 72 H VAL 72 2.313 -8.430 1.457 540 HA VAL 72 HA VAL 72 1.634 -10.326 3.631 541 HB VAL 72 HB VAL 72 4.066 -10.263 1.927 542 1HG1 VAL 72 1HG1 VAL 72 4.477 -11.336 4.095 543 2HG1 VAL 72 2HG1 VAL 72 3.028 -12.344 3.887 544 3HG1 VAL 72 3HG1 VAL 72 4.430 -12.554 2.819 545 1HG2 VAL 72 1HG2 VAL 72 1.590 -12.021 1.723 546 2HG2 VAL 72 2HG2 VAL 72 2.146 -10.814 0.539 547 3HG2 VAL 72 3HG2 VAL 72 3.100 -12.276 0.820 548 H ILE 73 H ILE 73 2.620 -10.149 5.506 549 HA ILE 73 HA ILE 73 4.100 -7.620 6.127 550 HB ILE 73 HB ILE 73 2.348 -9.328 7.914 551 1HG1 ILE 73 2HG1 ILE 73 0.943 -8.191 6.293 552 2HG1 ILE 73 3HG1 ILE 73 0.809 -7.455 7.881 553 1HG2 ILE 73 1HG2 ILE 73 2.562 -7.294 9.432 554 2HG2 ILE 73 2HG2 ILE 73 4.015 -8.275 9.278 555 3HG2 ILE 73 3HG2 ILE 73 3.899 -6.751 8.389 556 1HD1 ILE 73 1HD1 ILE 73 2.334 -6.307 5.512 557 2HD1 ILE 73 2HD1 ILE 73 0.819 -5.722 6.208 558 3HD1 ILE 73 3HD1 ILE 73 2.315 -5.593 7.145 559 H GLU 74 H GLU 74 6.070 -8.830 5.309 560 HA GLU 74 HA GLU 74 7.112 -10.808 7.007 561 1HB GLU 74 2HB GLU 74 8.230 -9.126 4.753 562 2HB GLU 74 3HB GLU 74 9.227 -10.176 5.735 563 1HG GLU 74 2HG GLU 74 7.530 -12.069 5.168 564 2HG GLU 74 3HG GLU 74 6.957 -10.989 3.884 565 H GLY 75 H GLY 75 6.466 -7.784 7.666 566 1HA GLY 75 2HA GLY 75 8.972 -6.815 8.847 567 2HA GLY 75 3HA GLY 75 7.414 -5.977 8.704 568 H ARG 76 H ARG 76 6.089 -8.436 10.038 569 HA ARG 76 HA ARG 76 6.753 -7.704 12.793 570 1HB ARG 76 2HB ARG 76 4.758 -6.350 11.407 571 2HB ARG 76 3HB ARG 76 3.841 -7.665 12.131 572 1HG ARG 76 2HG ARG 76 5.541 -5.566 13.558 573 2HG ARG 76 3HG ARG 76 3.783 -5.672 13.495 574 1HD ARG 76 2HD ARG 76 4.123 -6.547 15.560 575 2HD ARG 76 3HD ARG 76 4.148 -8.052 14.607 576 HE ARG 76 HE ARG 76 6.776 -7.299 14.630 577 1HH1 ARG 76 2HH2 ARG 76 4.411 -8.156 17.047 578 2HH1 ARG 76 1HH2 ARG 76 5.546 -8.432 18.336 579 1HH2 ARG 76 2HH1 ARG 76 8.351 -7.651 16.265 580 2HH2 ARG 76 1HH1 ARG 76 7.874 -8.175 17.849 Start of MODEL 15 1 1H MET 1 H1 MET 1 -2.636 15.931 18.876 2 2H MET 1 H2 MET 1 -2.038 16.487 20.334 3 3H MET 1 H3 MET 1 -2.550 17.537 19.140 4 HA MET 1 HA MET 1 -0.230 17.547 19.036 5 1HB MET 1 2HB MET 1 -0.503 14.500 18.929 6 2HB MET 1 3HB MET 1 0.989 15.394 18.597 7 1HG MET 1 2HG MET 1 1.124 14.657 20.859 8 2HG MET 1 3HG MET 1 0.876 16.404 20.870 9 1HE MET 1 1HE MET 1 -0.966 15.664 24.131 10 2HE MET 1 2HE MET 1 0.623 15.119 23.546 11 3HE MET 1 3HE MET 1 0.086 16.791 23.244 12 H LEU 2 H LEU 2 1.052 16.957 16.923 13 HA LEU 2 HA LEU 2 -0.784 17.263 14.624 14 1HB LEU 2 2HB LEU 2 2.224 17.438 15.037 15 2HB LEU 2 3HB LEU 2 1.492 17.529 13.438 16 HG LEU 2 HG LEU 2 0.550 19.417 15.622 17 1HD1 LEU 2 1HD1 LEU 2 2.233 21.055 14.835 18 2HD1 LEU 2 2HD1 LEU 2 2.986 19.646 15.602 19 3HD1 LEU 2 3HD1 LEU 2 2.985 19.795 13.831 20 1HD2 LEU 2 1HD2 LEU 2 -0.729 19.280 13.475 21 2HD2 LEU 2 2HD2 LEU 2 0.052 20.857 13.681 22 3HD2 LEU 2 3HD2 LEU 2 0.759 19.658 12.581 23 H SER 3 H SER 3 -0.643 15.819 12.785 24 HA SER 3 HA SER 3 -0.207 13.068 13.284 25 1HB SER 3 2HB SER 3 -0.295 14.436 10.561 26 2HB SER 3 3HB SER 3 -0.821 12.821 11.007 27 HG SER 3 HG SER 3 -2.646 14.085 10.956 28 H GLU 4 H GLU 4 1.821 12.358 13.714 29 HA GLU 4 HA GLU 4 4.230 13.283 12.308 30 1HB GLU 4 2HB GLU 4 3.573 11.242 14.356 31 2HB GLU 4 3HB GLU 4 4.908 10.882 13.293 32 1HG GLU 4 2HG GLU 4 5.853 13.102 13.896 33 2HG GLU 4 3HG GLU 4 4.609 13.183 15.152 34 H GLN 5 H GLN 5 5.401 11.484 11.022 35 HA GLN 5 HA GLN 5 3.528 9.866 9.371 36 1HB GLN 5 2HB GLN 5 5.736 11.699 8.419 37 2HB GLN 5 3HB GLN 5 5.031 10.433 7.439 38 1HG GLN 5 2HG GLN 5 2.889 12.082 8.569 39 2HG GLN 5 3HG GLN 5 4.088 13.105 7.777 40 1HE2 GLN 5 1HE2 GLN 5 2.915 9.776 7.068 41 2HE2 GLN 5 2HE2 GLN 5 2.326 10.153 5.461 42 H LYS 6 H LYS 6 4.480 7.979 8.458 43 HA LYS 6 HA LYS 6 7.303 7.462 8.896 44 1HB LYS 6 2HB LYS 6 5.185 5.606 10.074 45 2HB LYS 6 3HB LYS 6 6.890 5.181 9.824 46 1HG LYS 6 2HG LYS 6 7.541 7.153 11.258 47 2HG LYS 6 3HG LYS 6 5.831 7.354 11.660 48 1HD LYS 6 2HD LYS 6 5.846 4.905 12.424 49 2HD LYS 6 3HD LYS 6 7.613 4.956 12.218 50 1HE LYS 6 2HE LYS 6 7.632 6.993 13.779 51 2HE LYS 6 3HE LYS 6 5.909 6.713 14.069 52 1HZ LYS 6 1HZ LYS 6 6.499 4.528 14.927 53 2HZ LYS 6 2HZ LYS 6 8.100 4.853 14.701 54 3HZ LYS 6 3HZ LYS 6 7.225 5.739 15.773 55 H GLU 7 H GLU 7 8.016 5.577 7.734 56 HA GLU 7 HA GLU 7 6.616 5.255 5.158 57 1HB GLU 7 2HB GLU 7 9.606 5.054 5.642 58 2HB GLU 7 3HB GLU 7 8.686 5.380 4.178 59 1HG GLU 7 2HG GLU 7 9.740 7.414 4.796 60 2HG GLU 7 3HG GLU 7 8.068 7.639 5.331 61 H ILE 8 H ILE 8 5.596 3.260 5.683 62 HA ILE 8 HA ILE 8 7.198 1.180 7.020 63 HB ILE 8 HB ILE 8 4.373 1.298 6.113 64 1HG1 ILE 8 2HG1 ILE 8 3.921 1.114 8.643 65 2HG1 ILE 8 3HG1 ILE 8 5.651 1.330 8.926 66 1HG2 ILE 8 1HG2 ILE 8 5.028 -0.925 6.027 67 2HG2 ILE 8 2HG2 ILE 8 5.884 -0.749 7.614 68 3HG2 ILE 8 3HG2 ILE 8 4.093 -0.689 7.514 69 1HD1 ILE 8 1HD1 ILE 8 3.975 3.314 7.400 70 2HD1 ILE 8 2HD1 ILE 8 4.054 3.318 9.184 71 3HD1 ILE 8 3HD1 ILE 8 5.533 3.583 8.241 72 H ALA 9 H ALA 9 7.168 -0.931 5.920 73 HA ALA 9 HA ALA 9 7.440 -0.843 2.973 74 1HB ALA 9 1HB ALA 9 9.488 -2.185 3.096 75 2HB ALA 9 2HB ALA 9 9.738 -0.626 3.909 76 3HB ALA 9 3HB ALA 9 9.473 -2.094 4.870 77 H MET 10 H MET 10 6.445 -2.686 2.089 78 HA MET 10 HA MET 10 6.091 -5.062 3.821 79 1HB MET 10 2HB MET 10 3.721 -3.928 2.300 80 2HB MET 10 3HB MET 10 3.765 -5.303 3.400 81 1HG MET 10 2HG MET 10 4.222 -3.778 5.289 82 2HG MET 10 3HG MET 10 4.078 -2.400 4.174 83 1HE MET 10 1HE MET 10 0.808 -2.054 6.209 84 2HE MET 10 2HE MET 10 2.421 -2.543 6.800 85 3HE MET 10 3HE MET 10 2.264 -1.230 5.602 86 H GLN 11 H GLN 11 5.044 -6.828 2.418 87 HA GLN 11 HA GLN 11 6.489 -6.977 -0.182 88 1HB GLN 11 2HB GLN 11 5.470 -8.962 1.906 89 2HB GLN 11 3HB GLN 11 5.746 -9.501 0.258 90 1HG GLN 11 2HG GLN 11 7.777 -8.263 2.178 91 2HG GLN 11 3HG GLN 11 7.696 -9.968 1.685 92 1HE2 GLN 11 1HE2 GLN 11 7.197 -9.712 -1.082 93 2HE2 GLN 11 2HE2 GLN 11 8.411 -8.690 -1.817 94 H VAL 12 H VAL 12 5.293 -7.357 -2.076 95 HA VAL 12 HA VAL 12 2.334 -7.034 -1.817 96 HB VAL 12 HB VAL 12 4.198 -6.827 -4.208 97 1HG1 VAL 12 1HG1 VAL 12 2.153 -5.808 -5.300 98 2HG1 VAL 12 2HG1 VAL 12 2.014 -7.541 -5.002 99 3HG1 VAL 12 3HG1 VAL 12 1.194 -6.382 -3.924 100 1HG2 VAL 12 1HG2 VAL 12 3.544 -4.388 -4.052 101 2HG2 VAL 12 2HG2 VAL 12 2.727 -4.743 -2.524 102 3HG2 VAL 12 3HG2 VAL 12 4.490 -4.941 -2.667 103 H SER 13 H SER 13 0.889 -8.601 -2.843 104 HA SER 13 HA SER 13 2.067 -10.956 -4.118 105 1HB SER 13 2HB SER 13 0.413 -11.064 -1.555 106 2HB SER 13 3HB SER 13 0.694 -12.464 -2.601 107 HG SER 13 HG SER 13 3.001 -11.114 -1.966 108 H GLY 14 H GLY 14 0.290 -12.312 -5.042 109 1HA GLY 14 2HA GLY 14 -1.545 -12.506 -6.409 110 2HA GLY 14 3HA GLY 14 -2.391 -11.417 -5.296 111 H MET 15 H MET 15 0.216 -11.268 -7.805 112 HA MET 15 HA MET 15 -1.021 -8.825 -8.938 113 1HB MET 15 2HB MET 15 1.058 -7.641 -8.907 114 2HB MET 15 3HB MET 15 0.743 -8.236 -7.272 115 1HG MET 15 2HG MET 15 2.992 -8.631 -7.521 116 2HG MET 15 3HG MET 15 2.315 -10.213 -7.916 117 1HE MET 15 1HE MET 15 5.296 -9.421 -8.518 118 2HE MET 15 2HE MET 15 4.574 -10.982 -8.971 119 3HE MET 15 3HE MET 15 5.489 -10.039 -10.171 120 H THR 16 H THR 16 -0.420 -8.408 -11.098 121 HA THR 16 HA THR 16 0.822 -10.653 -12.626 122 HB THR 16 HB THR 16 -0.258 -9.108 -14.543 123 HG1 THR 16 1HG THR 16 -2.177 -8.880 -12.491 124 1HG2 THR 16 1HG2 THR 16 -0.750 -11.470 -14.287 125 2HG2 THR 16 2HG2 THR 16 -1.770 -11.164 -12.867 126 3HG2 THR 16 3HG2 THR 16 -2.269 -10.580 -14.474 127 H CYS 17 H CYS 17 0.594 -7.017 -12.540 128 HA CYS 17 HA CYS 17 3.463 -6.939 -13.299 129 1HB CYS 17 2HB CYS 17 3.006 -5.442 -15.105 130 2HB CYS 17 3HB CYS 17 1.962 -6.852 -15.328 131 H ALA 18 H ALA 18 4.453 -4.903 -13.057 132 HA ALA 18 HA ALA 18 3.822 -3.615 -10.549 133 1HB ALA 18 1HB ALA 18 5.934 -2.973 -12.647 134 2HB ALA 18 2HB ALA 18 5.924 -2.431 -10.956 135 3HB ALA 18 3HB ALA 18 6.122 -4.156 -11.340 136 H ALA 19 H ALA 19 1.678 -3.205 -12.359 137 HA ALA 19 HA ALA 19 1.746 -0.231 -12.697 138 1HB ALA 19 1HB ALA 19 0.496 -0.367 -14.741 139 2HB ALA 19 2HB ALA 19 1.973 -1.335 -14.932 140 3HB ALA 19 3HB ALA 19 0.408 -2.131 -14.658 141 H CYS 20 H CYS 20 -0.467 -3.130 -12.670 142 HA CYS 20 HA CYS 20 -2.597 -1.706 -11.437 143 1HB CYS 20 2HB CYS 20 -1.894 -4.655 -10.990 144 2HB CYS 20 3HB CYS 20 -3.493 -3.895 -10.858 145 H ALA 21 H ALA 21 0.255 -3.354 -10.119 146 HA ALA 21 HA ALA 21 -0.224 -3.035 -7.378 147 1HB ALA 21 1HB ALA 21 1.653 -4.287 -8.537 148 2HB ALA 21 2HB ALA 21 2.468 -2.719 -8.747 149 3HB ALA 21 3HB ALA 21 2.122 -3.354 -7.121 150 H ALA 22 H ALA 22 0.445 -0.501 -9.782 151 HA ALA 22 HA ALA 22 1.209 1.512 -7.787 152 1HB ALA 22 1HB ALA 22 1.072 3.066 -9.602 153 2HB ALA 22 2HB ALA 22 1.900 1.616 -10.215 154 3HB ALA 22 3HB ALA 22 0.194 1.919 -10.624 155 H ARG 23 H ARG 23 -1.668 0.502 -9.649 156 HA ARG 23 HA ARG 23 -3.386 2.622 -8.937 157 1HB ARG 23 2HB ARG 23 -4.030 -0.304 -9.510 158 2HB ARG 23 3HB ARG 23 -5.247 0.935 -9.320 159 1HG ARG 23 2HG ARG 23 -3.005 1.132 -11.391 160 2HG ARG 23 3HG ARG 23 -4.539 0.327 -11.717 161 1HD ARG 23 2HD ARG 23 -4.224 3.247 -10.908 162 2HD ARG 23 3HD ARG 23 -4.546 2.643 -12.544 163 HE ARG 23 HE ARG 23 -6.560 1.517 -11.064 164 1HH1 ARG 23 2HH2 ARG 23 -5.502 4.819 -11.665 165 2HH1 ARG 23 1HH2 ARG 23 -7.051 5.551 -11.382 166 1HH2 ARG 23 2HH1 ARG 23 -8.646 2.435 -10.696 167 2HH2 ARG 23 1HH1 ARG 23 -8.893 4.143 -10.842 168 H ILE 24 H ILE 24 -2.793 -0.484 -7.220 169 HA ILE 24 HA ILE 24 -4.709 0.068 -5.234 170 HB ILE 24 HB ILE 24 -3.844 -1.642 -3.887 171 1HG1 ILE 24 2HG1 ILE 24 -1.371 -1.277 -5.495 172 2HG1 ILE 24 3HG1 ILE 24 -1.584 -1.204 -3.733 173 1HG2 ILE 24 1HG2 ILE 24 -3.349 -2.546 -6.747 174 2HG2 ILE 24 2HG2 ILE 24 -4.095 -3.416 -5.388 175 3HG2 ILE 24 3HG2 ILE 24 -4.968 -2.101 -6.172 176 1HD1 ILE 24 1HD1 ILE 24 -0.382 -3.221 -4.282 177 2HD1 ILE 24 2HD1 ILE 24 -2.017 -3.676 -3.748 178 3HD1 ILE 24 3HD1 ILE 24 -1.597 -3.670 -5.484 179 H GLU 25 H GLU 25 -1.169 0.682 -5.029 180 HA GLU 25 HA GLU 25 -1.184 2.095 -2.622 181 1HB GLU 25 2HB GLU 25 0.594 1.999 -5.033 182 2HB GLU 25 3HB GLU 25 0.783 3.404 -3.969 183 1HG GLU 25 2HG GLU 25 2.275 1.490 -3.373 184 2HG GLU 25 3HG GLU 25 1.237 2.029 -2.052 185 H LYS 26 H LYS 26 -1.968 3.386 -5.858 186 HA LYS 26 HA LYS 26 -2.035 6.131 -4.807 187 1HB LYS 26 2HB LYS 26 -3.175 5.101 -7.420 188 2HB LYS 26 3HB LYS 26 -2.914 6.790 -6.968 189 1HG LYS 26 2HG LYS 26 -0.775 4.683 -7.434 190 2HG LYS 26 3HG LYS 26 -1.194 6.026 -8.492 191 1HD LYS 26 2HD LYS 26 -0.315 7.629 -6.809 192 2HD LYS 26 3HD LYS 26 -0.057 6.310 -5.660 193 1HE LYS 26 2HE LYS 26 2.063 6.874 -6.616 194 2HE LYS 26 3HE LYS 26 1.594 5.236 -7.077 195 1HZ LYS 26 1HZ LYS 26 1.368 7.627 -8.792 196 2HZ LYS 26 2HZ LYS 26 2.509 6.452 -8.916 197 3HZ LYS 26 3HZ LYS 26 0.937 6.096 -9.228 198 H GLY 27 H GLY 27 -4.524 3.675 -5.567 199 1HA GLY 27 2HA GLY 27 -6.800 5.227 -4.783 200 2HA GLY 27 3HA GLY 27 -6.658 3.458 -4.758 201 H LEU 28 H LEU 28 -4.428 3.245 -3.000 202 HA LEU 28 HA LEU 28 -5.795 3.379 -0.467 203 1HB LEU 28 2HB LEU 28 -4.298 1.605 -0.997 204 2HB LEU 28 3HB LEU 28 -2.949 2.696 -1.270 205 HG LEU 28 HG LEU 28 -2.974 1.318 0.844 206 1HD1 LEU 28 1HD1 LEU 28 -1.459 3.232 0.449 207 2HD1 LEU 28 2HD1 LEU 28 -2.672 4.311 1.163 208 3HD1 LEU 28 3HD1 LEU 28 -1.907 3.082 2.156 209 1HD2 LEU 28 1HD2 LEU 28 -4.203 2.226 2.787 210 2HD2 LEU 28 2HD2 LEU 28 -5.021 3.390 1.772 211 3HD2 LEU 28 3HD2 LEU 28 -5.302 1.658 1.520 212 H LYS 29 H LYS 29 -3.195 5.299 -1.975 213 HA LYS 29 HA LYS 29 -2.645 7.079 0.074 214 1HB LYS 29 2HB LYS 29 -1.585 6.716 -2.314 215 2HB LYS 29 3HB LYS 29 -2.720 7.966 -2.811 216 1HG LYS 29 2HG LYS 29 -1.448 8.985 -0.467 217 2HG LYS 29 3HG LYS 29 -0.235 8.020 -1.265 218 1HD LYS 29 2HD LYS 29 0.047 10.202 -2.270 219 2HD LYS 29 3HD LYS 29 -0.792 9.235 -3.461 220 1HE LYS 29 2HE LYS 29 -1.632 11.545 -3.136 221 2HE LYS 29 3HE LYS 29 -2.904 10.327 -2.896 222 1HZ LYS 29 1HZ LYS 29 -1.382 11.442 -0.641 223 2HZ LYS 29 2HZ LYS 29 -2.749 12.170 -1.190 224 3HZ LYS 29 3HZ LYS 29 -2.830 10.630 -0.604 225 H ARG 30 H ARG 30 -5.578 6.841 -1.620 226 HA ARG 30 HA ARG 30 -6.458 9.616 -1.274 227 1HB ARG 30 2HB ARG 30 -7.108 7.368 -2.936 228 2HB ARG 30 3HB ARG 30 -8.552 7.714 -1.999 229 1HG ARG 30 2HG ARG 30 -7.012 9.910 -3.449 230 2HG ARG 30 3HG ARG 30 -8.065 8.808 -4.335 231 1HD ARG 30 2HD ARG 30 -9.992 9.382 -2.987 232 2HD ARG 30 3HD ARG 30 -9.059 10.466 -1.973 233 HE ARG 30 HE ARG 30 -10.032 10.850 -4.736 234 1HH1 ARG 30 2HH2 ARG 30 -7.850 12.078 -2.261 235 2HH1 ARG 30 1HH2 ARG 30 -7.657 13.653 -2.966 236 1HH2 ARG 30 2HH1 ARG 30 -9.747 12.901 -5.760 237 2HH2 ARG 30 1HH1 ARG 30 -8.750 14.115 -5.030 238 H MET 31 H MET 31 -6.228 6.851 0.760 239 HA MET 31 HA MET 31 -8.707 7.191 2.181 240 1HB MET 31 2HB MET 31 -6.061 5.807 2.847 241 2HB MET 31 3HB MET 31 -7.430 5.768 3.938 242 1HG MET 31 2HG MET 31 -7.509 4.768 1.077 243 2HG MET 31 3HG MET 31 -7.271 3.770 2.516 244 1HE MET 31 1HE MET 31 -9.262 4.483 4.676 245 2HE MET 31 2HE MET 31 -10.753 3.658 4.175 246 3HE MET 31 3HE MET 31 -9.188 2.840 3.995 247 HA PRO 32 HA PRO 32 -7.436 10.337 5.200 248 1HB PRO 32 2HB PRO 32 -8.545 9.309 7.501 249 2HB PRO 32 3HB PRO 32 -9.506 10.131 6.239 250 1HG PRO 32 2HG PRO 32 -9.068 7.152 6.588 251 2HG PRO 32 3HG PRO 32 -10.626 8.007 6.376 252 1HD PRO 32 2HD PRO 32 -9.401 6.852 4.291 253 2HD PRO 32 3HD PRO 32 -10.147 8.453 4.072 254 H GLY 33 H GLY 33 -5.637 10.450 6.592 255 1HA GLY 33 2HA GLY 33 -3.986 9.722 7.981 256 2HA GLY 33 3HA GLY 33 -4.565 8.053 7.797 257 H VAL 34 H VAL 34 -4.194 8.708 4.633 258 HA VAL 34 HA VAL 34 -1.312 7.939 4.716 259 HB VAL 34 HB VAL 34 -3.338 7.299 2.561 260 1HG1 VAL 34 1HG1 VAL 34 -1.371 5.851 1.807 261 2HG1 VAL 34 2HG1 VAL 34 -1.029 7.574 1.741 262 3HG1 VAL 34 3HG1 VAL 34 -0.396 6.595 3.069 263 1HG2 VAL 34 1HG2 VAL 34 -2.162 5.569 4.786 264 2HG2 VAL 34 2HG2 VAL 34 -3.870 6.000 4.563 265 3HG2 VAL 34 3HG2 VAL 34 -3.071 4.951 3.393 266 H THR 35 H THR 35 0.081 9.364 3.912 267 HA THR 35 HA THR 35 -1.029 11.734 2.534 268 HB THR 35 HB THR 35 1.530 11.319 3.967 269 HG1 THR 35 1HG THR 35 0.063 11.696 5.575 270 1HG2 THR 35 1HG2 THR 35 0.273 13.793 2.718 271 2HG2 THR 35 2HG2 THR 35 1.665 13.799 3.817 272 3HG2 THR 35 3HG2 THR 35 1.810 13.030 2.220 273 H ASP 36 H ASP 36 1.670 9.267 2.102 274 HA ASP 36 HA ASP 36 1.283 9.560 -0.755 275 1HB ASP 36 2HB ASP 36 3.740 10.520 0.624 276 2HB ASP 36 3HB ASP 36 3.988 9.480 -0.784 277 H ALA 37 H ALA 37 2.280 7.883 -1.977 278 HA ALA 37 HA ALA 37 3.115 5.483 -0.541 279 1HB ALA 37 1HB ALA 37 1.235 4.074 -1.135 280 2HB ALA 37 2HB ALA 37 0.585 5.496 -0.304 281 3HB ALA 37 3HB ALA 37 0.481 5.381 -2.073 282 H ASN 38 H ASN 38 4.019 3.803 -1.847 283 HA ASN 38 HA ASN 38 4.441 4.404 -4.697 284 1HB ASN 38 2HB ASN 38 7.068 4.197 -3.621 285 2HB ASN 38 3HB ASN 38 6.320 5.553 -4.444 286 1HD2 ASN 38 1HD2 ASN 38 5.939 4.193 -1.078 287 2HD2 ASN 38 2HD2 ASN 38 6.383 5.720 -0.316 288 H VAL 39 H VAL 39 4.525 2.461 -5.687 289 HA VAL 39 HA VAL 39 5.015 0.077 -4.054 290 HB VAL 39 HB VAL 39 2.995 0.363 -5.401 291 1HG1 VAL 39 1HG1 VAL 39 4.673 -0.197 -7.889 292 2HG1 VAL 39 2HG1 VAL 39 2.950 0.001 -7.770 293 3HG1 VAL 39 3HG1 VAL 39 3.994 1.395 -7.469 294 1HG2 VAL 39 1HG2 VAL 39 2.756 -1.851 -5.679 295 2HG2 VAL 39 2HG2 VAL 39 4.322 -2.064 -6.494 296 3HG2 VAL 39 3HG2 VAL 39 4.234 -1.891 -4.726 297 H ASN 40 H ASN 40 7.178 -0.459 -3.836 298 HA ASN 40 HA ASN 40 9.034 0.134 -6.069 299 1HB ASN 40 2HB ASN 40 9.575 0.740 -3.701 300 2HB ASN 40 3HB ASN 40 9.650 -0.989 -3.316 301 1HD2 ASN 40 1HD2 ASN 40 11.927 0.252 -2.779 302 2HD2 ASN 40 2HD2 ASN 40 13.123 0.029 -4.044 303 H LEU 41 H LEU 41 7.361 -1.522 -7.063 304 HA LEU 41 HA LEU 41 7.715 -4.288 -6.403 305 1HB LEU 41 2HB LEU 41 5.958 -2.784 -8.013 306 2HB LEU 41 3HB LEU 41 6.812 -3.799 -9.159 307 HG LEU 41 HG LEU 41 4.636 -4.667 -8.273 308 1HD1 LEU 41 1HD1 LEU 41 5.362 -6.995 -8.008 309 2HD1 LEU 41 2HD1 LEU 41 6.239 -6.201 -9.330 310 3HD1 LEU 41 3HD1 LEU 41 7.037 -6.474 -7.766 311 1HD2 LEU 41 1HD2 LEU 41 6.010 -5.547 -5.734 312 2HD2 LEU 41 2HD2 LEU 41 5.216 -3.969 -5.814 313 3HD2 LEU 41 3HD2 LEU 41 4.297 -5.449 -6.150 314 H ALA 42 H ALA 42 9.592 -2.108 -8.291 315 HA ALA 42 HA ALA 42 11.123 -3.747 -9.944 316 1HB ALA 42 1HB ALA 42 12.101 -1.534 -8.098 317 2HB ALA 42 2HB ALA 42 12.938 -2.158 -9.529 318 3HB ALA 42 3HB ALA 42 11.398 -1.286 -9.719 319 H THR 43 H THR 43 11.126 -3.567 -6.358 320 HA THR 43 HA THR 43 13.025 -5.873 -6.383 321 HB THR 43 HB THR 43 14.150 -3.897 -5.562 322 HG1 THR 43 1HG THR 43 13.530 -5.898 -3.671 323 1HG2 THR 43 1HG2 THR 43 12.229 -3.931 -3.190 324 2HG2 THR 43 2HG2 THR 43 13.571 -2.816 -3.482 325 3HG2 THR 43 3HG2 THR 43 12.134 -2.760 -4.517 326 H GLU 44 H GLU 44 10.073 -5.861 -6.583 327 HA GLU 44 HA GLU 44 8.173 -6.617 -5.571 328 1HB GLU 44 2HB GLU 44 10.244 -8.570 -4.522 329 2HB GLU 44 3HB GLU 44 8.501 -8.778 -4.353 330 1HG GLU 44 2HG GLU 44 8.980 -8.203 -7.131 331 2HG GLU 44 3HG GLU 44 10.120 -9.458 -6.625 332 H THR 45 H THR 45 8.718 -4.354 -4.195 333 HA THR 45 HA THR 45 7.806 -5.089 -1.483 334 HB THR 45 HB THR 45 10.146 -3.292 -2.271 335 HG1 THR 45 1HG THR 45 9.965 -5.882 -1.519 336 1HG2 THR 45 1HG2 THR 45 8.974 -2.243 -0.444 337 2HG2 THR 45 2HG2 THR 45 8.923 -3.794 0.451 338 3HG2 THR 45 3HG2 THR 45 10.475 -2.976 0.154 339 H VAL 46 H VAL 46 6.650 -3.284 -0.483 340 HA VAL 46 HA VAL 46 5.922 -1.041 -2.313 341 HB VAL 46 HB VAL 46 4.025 -2.496 -2.348 342 1HG1 VAL 46 1HG1 VAL 46 4.130 -2.512 0.686 343 2HG1 VAL 46 2HG1 VAL 46 2.812 -3.178 -0.297 344 3HG1 VAL 46 3HG1 VAL 46 4.410 -3.915 -0.381 345 1HG2 VAL 46 1HG2 VAL 46 2.310 -1.131 -1.315 346 2HG2 VAL 46 2HG2 VAL 46 3.488 -0.254 -0.347 347 3HG2 VAL 46 3HG2 VAL 46 3.523 -0.108 -2.121 348 H ASN 47 H ASN 47 5.740 0.997 -1.285 349 HA ASN 47 HA ASN 47 6.404 1.053 1.594 350 1HB ASN 47 2HB ASN 47 7.676 2.609 -0.691 351 2HB ASN 47 3HB ASN 47 7.563 3.308 0.928 352 1HD2 ASN 47 1HD2 ASN 47 8.266 1.676 2.782 353 2HD2 ASN 47 2HD2 ASN 47 9.887 1.076 2.471 354 H VAL 48 H VAL 48 5.208 2.598 2.751 355 HA VAL 48 HA VAL 48 3.288 4.219 1.211 356 HB VAL 48 HB VAL 48 2.106 2.173 1.532 357 1HG1 VAL 48 1HG1 VAL 48 2.842 2.324 4.471 358 2HG1 VAL 48 2HG1 VAL 48 1.587 1.273 3.785 359 3HG1 VAL 48 3HG1 VAL 48 3.271 1.076 3.296 360 1HG2 VAL 48 1HG2 VAL 48 0.724 4.036 1.617 361 2HG2 VAL 48 2HG2 VAL 48 0.230 3.064 3.011 362 3HG2 VAL 48 3HG2 VAL 48 1.227 4.515 3.234 363 H ILE 49 H ILE 49 3.264 6.182 1.993 364 HA ILE 49 HA ILE 49 4.894 6.742 4.369 365 HB ILE 49 HB ILE 49 4.072 8.670 2.158 366 1HG1 ILE 49 2HG1 ILE 49 5.247 6.998 0.966 367 2HG1 ILE 49 3HG1 ILE 49 6.284 8.405 1.163 368 1HG2 ILE 49 1HG2 ILE 49 6.264 8.777 4.258 369 2HG2 ILE 49 2HG2 ILE 49 5.997 9.974 2.974 370 3HG2 ILE 49 3HG2 ILE 49 4.774 9.729 4.227 371 1HD1 ILE 49 1HD1 ILE 49 6.486 5.811 2.759 372 2HD1 ILE 49 2HD1 ILE 49 7.580 6.371 1.488 373 3HD1 ILE 49 3HD1 ILE 49 7.489 7.254 3.017 374 H TYR 50 H TYR 50 3.351 6.690 6.046 375 HA TYR 50 HA TYR 50 0.791 8.181 5.623 376 1HB TYR 50 2HB TYR 50 -0.530 6.471 6.535 377 2HB TYR 50 3HB TYR 50 0.286 5.870 5.132 378 HD1 TYR 50 HD1 TYR 50 0.331 5.828 8.888 379 HD2 TYR 50 HD2 TYR 50 1.321 3.757 5.266 380 HE1 TYR 50 HE1 TYR 50 0.730 3.777 10.181 381 HE2 TYR 50 HE2 TYR 50 1.501 1.635 6.529 382 HH TYR 50 HH TYR 50 1.438 1.496 10.019 383 H ASP 51 H ASP 51 -0.353 8.526 7.538 384 HA ASP 51 HA ASP 51 1.459 9.414 9.646 385 1HB ASP 51 2HB ASP 51 -1.461 10.032 9.175 386 2HB ASP 51 3HB ASP 51 -0.346 10.772 10.348 387 HA PRO 52 HA PRO 52 -0.015 5.607 11.596 388 1HB PRO 52 2HB PRO 52 1.856 5.224 13.528 389 2HB PRO 52 3HB PRO 52 2.202 5.006 11.788 390 1HG PRO 52 2HG PRO 52 2.692 7.504 13.441 391 2HG PRO 52 3HG PRO 52 3.869 6.605 12.436 392 1HD PRO 52 2HD PRO 52 2.566 8.749 11.468 393 2HD PRO 52 3HD PRO 52 2.815 7.317 10.426 394 H ALA 53 H ALA 53 -0.668 8.625 12.567 395 HA ALA 53 HA ALA 53 -1.627 8.030 15.291 396 1HB ALA 53 1HB ALA 53 -0.726 10.287 14.786 397 2HB ALA 53 2HB ALA 53 -1.893 10.447 13.451 398 3HB ALA 53 3HB ALA 53 -2.469 10.342 15.129 399 H GLU 54 H GLU 54 -2.462 7.897 11.868 400 HA GLU 54 HA GLU 54 -5.347 7.728 12.522 401 1HB GLU 54 2HB GLU 54 -3.880 9.415 10.621 402 2HB GLU 54 3HB GLU 54 -5.035 8.345 9.811 403 1HG GLU 54 2HG GLU 54 -6.875 9.106 11.170 404 2HG GLU 54 3HG GLU 54 -5.791 10.210 12.042 405 H THR 55 H THR 55 -2.854 6.646 10.107 406 HA THR 55 HA THR 55 -4.307 4.079 9.943 407 HB THR 55 HB THR 55 -2.714 3.543 7.975 408 HG1 THR 55 1HG THR 55 -2.865 6.286 7.803 409 1HG2 THR 55 1HG2 THR 55 -4.359 4.505 6.501 410 2HG2 THR 55 2HG2 THR 55 -5.086 3.707 7.921 411 3HG2 THR 55 3HG2 THR 55 -5.036 5.488 7.828 412 H GLY 56 H GLY 56 -2.227 2.391 9.457 413 1HA GLY 56 2HA GLY 56 -0.368 1.735 11.258 414 2HA GLY 56 3HA GLY 56 -1.761 2.019 12.316 415 H THR 57 H THR 57 -0.758 0.430 9.602 416 HA THR 57 HA THR 57 -1.338 -0.560 7.909 417 HB THR 57 HB THR 57 -1.048 -2.991 8.115 418 HG1 THR 57 1HG THR 57 -1.430 -2.434 10.874 419 1HG2 THR 57 1HG2 THR 57 0.735 -1.652 10.207 420 2HG2 THR 57 2HG2 THR 57 1.085 -3.077 9.225 421 3HG2 THR 57 3HG2 THR 57 0.976 -1.475 8.463 422 H ALA 58 H ALA 58 -3.749 -1.159 10.389 423 HA ALA 58 HA ALA 58 -5.871 -2.415 9.490 424 1HB ALA 58 1HB ALA 58 -5.821 -0.898 11.398 425 2HB ALA 58 2HB ALA 58 -5.667 0.497 10.327 426 3HB ALA 58 3HB ALA 58 -7.181 -0.450 10.339 427 H ALA 59 H ALA 59 -5.187 0.861 8.163 428 HA ALA 59 HA ALA 59 -7.653 0.470 6.558 429 1HB ALA 59 1HB ALA 59 -5.680 2.694 6.099 430 2HB ALA 59 2HB ALA 59 -7.367 2.613 5.605 431 3HB ALA 59 3HB ALA 59 -6.996 2.751 7.331 432 H ILE 60 H ILE 60 -4.222 0.338 6.071 433 HA ILE 60 HA ILE 60 -4.093 0.046 3.255 434 HB ILE 60 HB ILE 60 -2.302 -0.496 5.634 435 1HG1 ILE 60 2HG1 ILE 60 -0.798 0.914 4.126 436 2HG1 ILE 60 3HG1 ILE 60 -2.190 1.051 3.045 437 1HG2 ILE 60 1HG2 ILE 60 -1.865 -2.498 4.353 438 2HG2 ILE 60 2HG2 ILE 60 -1.670 -1.531 2.862 439 3HG2 ILE 60 3HG2 ILE 60 -0.534 -1.351 4.224 440 1HD1 ILE 60 1HD1 ILE 60 -2.047 1.890 6.014 441 2HD1 ILE 60 2HD1 ILE 60 -1.785 3.000 4.663 442 3HD1 ILE 60 3HD1 ILE 60 -3.382 2.285 4.911 443 H GLN 61 H GLN 61 -4.268 -2.496 5.830 444 HA GLN 61 HA GLN 61 -4.385 -4.550 3.847 445 1HB GLN 61 2HB GLN 61 -4.417 -4.391 6.708 446 2HB GLN 61 3HB GLN 61 -5.747 -5.421 6.194 447 1HG GLN 61 2HG GLN 61 -4.401 -7.137 5.768 448 2HG GLN 61 3HG GLN 61 -3.377 -6.201 4.688 449 1HE2 GLN 61 1HE2 GLN 61 -2.128 -4.348 6.216 450 2HE2 GLN 61 2HE2 GLN 61 -1.167 -5.168 7.445 451 H GLU 62 H GLU 62 -7.018 -2.902 5.701 452 HA GLU 62 HA GLU 62 -9.224 -4.173 4.626 453 1HB GLU 62 2HB GLU 62 -8.646 -1.393 5.635 454 2HB GLU 62 3HB GLU 62 -10.123 -1.604 4.709 455 1HG GLU 62 2HG GLU 62 -10.775 -1.899 6.934 456 2HG GLU 62 3HG GLU 62 -10.724 -3.537 6.278 457 H LYS 63 H LYS 63 -7.583 -1.297 3.158 458 HA LYS 63 HA LYS 63 -9.292 -1.366 0.880 459 1HB LYS 63 2HB LYS 63 -6.859 0.110 1.802 460 2HB LYS 63 3HB LYS 63 -7.244 0.181 0.118 461 1HG LYS 63 2HG LYS 63 -9.321 0.841 2.244 462 2HG LYS 63 3HG LYS 63 -8.141 1.991 1.639 463 1HD LYS 63 2HD LYS 63 -10.046 2.467 0.417 464 2HD LYS 63 3HD LYS 63 -8.960 1.652 -0.706 465 1HE LYS 63 2HE LYS 63 -10.315 -0.308 -0.747 466 2HE LYS 63 3HE LYS 63 -11.135 0.116 0.779 467 1HZ LYS 63 1HZ LYS 63 -11.472 1.509 -1.789 468 2HZ LYS 63 2HZ LYS 63 -12.539 0.462 -1.108 469 3HZ LYS 63 3HZ LYS 63 -12.224 1.898 -0.377 470 H ILE 64 H ILE 64 -6.066 -2.759 1.582 471 HA ILE 64 HA ILE 64 -5.125 -3.263 -0.932 472 HB ILE 64 HB ILE 64 -4.821 -4.327 1.769 473 1HG1 ILE 64 2HG1 ILE 64 -3.463 -2.508 0.645 474 2HG1 ILE 64 3HG1 ILE 64 -2.581 -3.802 1.455 475 1HG2 ILE 64 1HG2 ILE 64 -4.066 -6.129 -0.477 476 2HG2 ILE 64 2HG2 ILE 64 -3.360 -6.152 1.163 477 3HG2 ILE 64 3HG2 ILE 64 -5.077 -6.461 0.954 478 1HD1 ILE 64 1HD1 ILE 64 -3.057 -3.610 -1.544 479 2HD1 ILE 64 2HD1 ILE 64 -1.544 -3.273 -0.670 480 3HD1 ILE 64 3HD1 ILE 64 -2.199 -4.920 -0.719 481 H GLU 65 H GLU 65 -7.188 -5.268 1.244 482 HA GLU 65 HA GLU 65 -7.944 -7.344 -0.519 483 1HB GLU 65 2HB GLU 65 -9.179 -6.094 1.957 484 2HB GLU 65 3HB GLU 65 -10.018 -7.379 1.082 485 1HG GLU 65 2HG GLU 65 -7.131 -7.806 1.837 486 2HG GLU 65 3HG GLU 65 -8.393 -7.976 3.065 487 H LYS 66 H LYS 66 -9.837 -4.358 0.301 488 HA LYS 66 HA LYS 66 -11.920 -4.993 -1.527 489 1HB LYS 66 2HB LYS 66 -11.082 -2.475 -0.103 490 2HB LYS 66 3HB LYS 66 -12.203 -2.342 -1.460 491 1HG LYS 66 2HG LYS 66 -13.594 -2.497 0.371 492 2HG LYS 66 3HG LYS 66 -13.653 -4.101 -0.375 493 1HD LYS 66 2HD LYS 66 -11.873 -4.822 1.343 494 2HD LYS 66 3HD LYS 66 -12.105 -3.266 2.136 495 1HE LYS 66 2HE LYS 66 -14.153 -5.505 1.734 496 2HE LYS 66 3HE LYS 66 -13.400 -5.008 3.255 497 1HZ LYS 66 1HZ LYS 66 -15.277 -3.398 1.655 498 2HZ LYS 66 2HZ LYS 66 -15.600 -4.146 3.079 499 3HZ LYS 66 3HZ LYS 66 -14.542 -2.889 3.043 500 H LEU 67 H LEU 67 -8.864 -3.375 -2.178 501 HA LEU 67 HA LEU 67 -9.554 -2.501 -4.860 502 1HB LEU 67 2HB LEU 67 -6.984 -2.780 -3.277 503 2HB LEU 67 3HB LEU 67 -6.965 -2.347 -4.982 504 HG LEU 67 HG LEU 67 -8.751 -0.769 -3.114 505 1HD1 LEU 67 1HD1 LEU 67 -6.825 0.849 -2.832 506 2HD1 LEU 67 2HD1 LEU 67 -6.650 -0.671 -1.941 507 3HD1 LEU 67 3HD1 LEU 67 -5.754 -0.431 -3.426 508 1HD2 LEU 67 1HD2 LEU 67 -7.162 -0.044 -5.625 509 2HD2 LEU 67 2HD2 LEU 67 -8.893 -0.428 -5.591 510 3HD2 LEU 67 3HD2 LEU 67 -8.290 1.015 -4.758 511 H GLY 68 H GLY 68 -8.783 -5.575 -3.462 512 1HA GLY 68 2HA GLY 68 -8.981 -7.594 -4.544 513 2HA GLY 68 3HA GLY 68 -8.808 -6.821 -6.126 514 H TYR 69 H TYR 69 -6.693 -6.577 -3.188 515 HA TYR 69 HA TYR 69 -4.513 -8.031 -4.609 516 1HB TYR 69 2HB TYR 69 -4.714 -5.177 -4.001 517 2HB TYR 69 3HB TYR 69 -3.400 -5.890 -3.096 518 HD1 TYR 69 HD1 TYR 69 -1.377 -6.595 -4.156 519 HD2 TYR 69 HD2 TYR 69 -4.823 -5.586 -6.541 520 HE1 TYR 69 HE1 TYR 69 0.044 -6.408 -6.154 521 HE2 TYR 69 HE2 TYR 69 -3.419 -5.482 -8.544 522 HH TYR 69 HH TYR 69 -1.264 -5.668 -9.392 523 H HIS 70 H HIS 70 -2.670 -8.399 -2.970 524 HA HIS 70 HA HIS 70 -3.608 -8.590 -0.164 525 1HB HIS 70 2HB HIS 70 -3.975 -10.771 -1.346 526 2HB HIS 70 3HB HIS 70 -2.239 -10.867 -1.644 527 HD1 HIS 70 1HD HIS 70 -1.765 -9.789 1.665 528 HD2 HIS 70 2HD HIS 70 -3.804 -13.089 -0.003 529 HE1 HIS 70 1HE HIS 70 -1.933 -11.521 3.472 530 H VAL 71 H VAL 71 -2.065 -7.713 1.122 531 HA VAL 71 HA VAL 71 0.729 -7.500 0.117 532 HB VAL 71 HB VAL 71 -0.593 -5.389 0.697 533 1HG1 VAL 71 1HG1 VAL 71 -0.737 -4.703 3.003 534 2HG1 VAL 71 2HG1 VAL 71 -1.622 -6.230 2.831 535 3HG1 VAL 71 3HG1 VAL 71 -0.002 -6.212 3.562 536 1HG2 VAL 71 1HG2 VAL 71 1.788 -5.365 0.377 537 2HG2 VAL 71 2HG2 VAL 71 1.333 -4.296 1.709 538 3HG2 VAL 71 3HG2 VAL 71 2.045 -5.888 2.061 539 H VAL 72 H VAL 72 2.357 -8.235 1.534 540 HA VAL 72 HA VAL 72 1.573 -10.033 3.767 541 HB VAL 72 HB VAL 72 3.798 -10.320 1.804 542 1HG1 VAL 72 1HG1 VAL 72 4.579 -11.105 3.962 543 2HG1 VAL 72 2HG1 VAL 72 3.079 -12.029 4.215 544 3HG1 VAL 72 3HG1 VAL 72 4.231 -12.506 2.951 545 1HG2 VAL 72 1HG2 VAL 72 1.329 -12.059 2.296 546 2HG2 VAL 72 2HG2 VAL 72 1.584 -11.026 0.875 547 3HG2 VAL 72 3HG2 VAL 72 2.628 -12.427 1.144 548 H ILE 73 H ILE 73 2.930 -9.855 5.548 549 HA ILE 73 HA ILE 73 4.605 -7.387 5.672 550 HB ILE 73 HB ILE 73 2.747 -8.477 7.785 551 1HG1 ILE 73 2HG1 ILE 73 1.972 -5.957 7.430 552 2HG1 ILE 73 3HG1 ILE 73 2.685 -6.163 5.833 553 1HG2 ILE 73 1HG2 ILE 73 3.369 -6.494 9.058 554 2HG2 ILE 73 2HG2 ILE 73 4.800 -7.483 8.786 555 3HG2 ILE 73 3HG2 ILE 73 4.550 -6.022 7.812 556 1HD1 ILE 73 1HD1 ILE 73 1.129 -8.047 5.448 557 2HD1 ILE 73 2HD1 ILE 73 0.537 -7.877 7.124 558 3HD1 ILE 73 3HD1 ILE 73 0.265 -6.579 5.935 559 H GLU 74 H GLU 74 6.363 -8.859 4.964 560 HA GLU 74 HA GLU 74 7.405 -10.741 6.765 561 1HB GLU 74 2HB GLU 74 8.263 -9.482 4.183 562 2HB GLU 74 3HB GLU 74 9.440 -10.352 5.157 563 1HG GLU 74 2HG GLU 74 6.821 -11.695 4.459 564 2HG GLU 74 3HG GLU 74 8.201 -11.706 3.347 565 H GLY 75 H GLY 75 7.148 -7.619 7.204 566 1HA GLY 75 2HA GLY 75 9.523 -7.383 8.989 567 2HA GLY 75 3HA GLY 75 9.186 -6.090 7.818 568 H ARG 76 H ARG 76 7.335 -8.182 10.049 569 HA ARG 76 HA ARG 76 5.395 -6.126 10.695 570 1HB ARG 76 2HB ARG 76 5.167 -8.773 10.781 571 2HB ARG 76 3HB ARG 76 5.921 -8.582 12.371 572 1HG ARG 76 2HG ARG 76 4.021 -6.698 12.647 573 2HG ARG 76 3HG ARG 76 3.244 -7.620 11.347 574 1HD ARG 76 2HD ARG 76 3.504 -9.689 12.791 575 2HD ARG 76 3HD ARG 76 4.169 -8.625 14.063 576 HE ARG 76 HE ARG 76 1.635 -7.649 13.126 577 1HH1 ARG 76 2HH2 ARG 76 3.056 -10.110 15.190 578 2HH1 ARG 76 1HH2 ARG 76 1.667 -10.318 16.212 579 1HH2 ARG 76 2HH1 ARG 76 -0.265 -7.904 14.423 580 2HH2 ARG 76 1HH1 ARG 76 -0.283 -9.020 15.749 Start of MODEL 16 1 1H MET 1 H1 MET 1 -3.721 16.441 17.537 2 2H MET 1 H2 MET 1 -5.291 16.949 17.251 3 3H MET 1 H3 MET 1 -4.424 16.115 16.101 4 HA MET 1 HA MET 1 -4.325 18.316 15.422 5 1HB MET 1 2HB MET 1 -3.703 20.132 16.847 6 2HB MET 1 3HB MET 1 -4.973 19.241 17.676 7 1HG MET 1 2HG MET 1 -2.891 18.039 18.884 8 2HG MET 1 3HG MET 1 -2.023 19.456 18.291 9 1HE MET 1 1HE MET 1 -5.640 18.853 19.887 10 2HE MET 1 2HE MET 1 -4.447 17.918 20.827 11 3HE MET 1 3HE MET 1 -5.254 19.321 21.557 12 H LEU 2 H LEU 2 -2.399 18.701 14.244 13 HA LEU 2 HA LEU 2 -0.382 18.248 13.418 14 1HB LEU 2 2HB LEU 2 0.189 18.539 16.232 15 2HB LEU 2 3HB LEU 2 1.161 17.205 15.637 16 HG LEU 2 HG LEU 2 1.040 19.831 14.102 17 1HD1 LEU 2 1HD1 LEU 2 2.930 20.670 15.448 18 2HD1 LEU 2 2HD1 LEU 2 1.445 20.516 16.399 19 3HD1 LEU 2 3HD1 LEU 2 2.736 19.305 16.571 20 1HD2 LEU 2 1HD2 LEU 2 3.269 17.790 14.572 21 2HD2 LEU 2 2HD2 LEU 2 2.249 17.863 13.120 22 3HD2 LEU 2 3HD2 LEU 2 3.346 19.201 13.499 23 H SER 3 H SER 3 0.801 16.492 12.540 24 HA SER 3 HA SER 3 -0.121 13.740 13.147 25 1HB SER 3 2HB SER 3 -0.437 15.265 10.511 26 2HB SER 3 3HB SER 3 -0.584 13.515 10.661 27 HG SER 3 HG SER 3 -2.317 13.750 11.977 28 H GLU 4 H GLU 4 1.760 12.534 13.174 29 HA GLU 4 HA GLU 4 4.200 13.568 11.912 30 1HB GLU 4 2HB GLU 4 3.521 11.449 13.858 31 2HB GLU 4 3HB GLU 4 4.830 11.071 12.763 32 1HG GLU 4 2HG GLU 4 5.794 13.315 13.397 33 2HG GLU 4 3HG GLU 4 4.603 13.315 14.702 34 H GLN 5 H GLN 5 5.415 11.686 10.650 35 HA GLN 5 HA GLN 5 3.583 10.207 8.880 36 1HB GLN 5 2HB GLN 5 5.861 12.016 8.081 37 2HB GLN 5 3HB GLN 5 5.150 10.885 6.954 38 1HG GLN 5 2HG GLN 5 3.350 12.939 8.330 39 2HG GLN 5 3HG GLN 5 4.425 13.430 7.044 40 1HE2 GLN 5 1HE2 GLN 5 3.102 10.139 6.877 41 2HE2 GLN 5 2HE2 GLN 5 2.024 10.498 5.544 42 H LYS 6 H LYS 6 4.469 8.231 8.354 43 HA LYS 6 HA LYS 6 7.351 7.755 8.652 44 1HB LYS 6 2HB LYS 6 5.233 6.051 10.016 45 2HB LYS 6 3HB LYS 6 6.843 5.472 9.606 46 1HG LYS 6 2HG LYS 6 7.130 7.984 10.997 47 2HG LYS 6 3HG LYS 6 6.100 6.966 11.966 48 1HD LYS 6 2HD LYS 6 8.801 6.132 10.794 49 2HD LYS 6 3HD LYS 6 8.586 6.911 12.365 50 1HE LYS 6 2HE LYS 6 8.762 4.679 12.962 51 2HE LYS 6 3HE LYS 6 7.022 4.982 13.017 52 1HZ LYS 6 1HZ LYS 6 7.590 2.914 11.915 53 2HZ LYS 6 2HZ LYS 6 6.860 3.936 10.853 54 3HZ LYS 6 3HZ LYS 6 8.489 3.711 10.788 55 H GLU 7 H GLU 7 8.046 5.936 7.578 56 HA GLU 7 HA GLU 7 6.571 5.273 5.112 57 1HB GLU 7 2HB GLU 7 9.575 5.127 5.381 58 2HB GLU 7 3HB GLU 7 8.538 5.498 4.011 59 1HG GLU 7 2HG GLU 7 9.651 7.490 4.517 60 2HG GLU 7 3HG GLU 7 8.079 7.756 5.278 61 H ILE 8 H ILE 8 5.675 3.245 5.709 62 HA ILE 8 HA ILE 8 7.336 1.289 7.124 63 HB ILE 8 HB ILE 8 4.619 1.015 5.990 64 1HG1 ILE 8 2HG1 ILE 8 4.282 2.982 7.219 65 2HG1 ILE 8 3HG1 ILE 8 3.617 1.601 8.111 66 1HG2 ILE 8 1HG2 ILE 8 4.316 -0.567 7.822 67 2HG2 ILE 8 2HG2 ILE 8 5.695 -1.005 6.795 68 3HG2 ILE 8 3HG2 ILE 8 5.997 -0.217 8.349 69 1HD1 ILE 8 1HD1 ILE 8 4.819 3.181 9.536 70 2HD1 ILE 8 2HD1 ILE 8 5.479 1.523 9.564 71 3HD1 ILE 8 3HD1 ILE 8 6.312 2.792 8.627 72 H ALA 9 H ALA 9 7.569 -0.904 6.026 73 HA ALA 9 HA ALA 9 7.685 -0.804 3.069 74 1HB ALA 9 1HB ALA 9 9.956 -0.187 4.011 75 2HB ALA 9 2HB ALA 9 9.977 -1.747 4.848 76 3HB ALA 9 3HB ALA 9 9.940 -1.696 3.072 77 H MET 10 H MET 10 6.918 -2.779 2.239 78 HA MET 10 HA MET 10 7.106 -5.225 3.813 79 1HB MET 10 2HB MET 10 4.682 -5.578 4.063 80 2HB MET 10 3HB MET 10 5.219 -4.147 4.930 81 1HG MET 10 2HG MET 10 4.537 -2.861 2.747 82 2HG MET 10 3HG MET 10 3.640 -4.334 2.374 83 1HE MET 10 1HE MET 10 4.422 -1.887 5.290 84 2HE MET 10 2HE MET 10 3.765 -0.952 3.934 85 3HE MET 10 3HE MET 10 2.854 -1.048 5.462 86 H GLN 11 H GLN 11 5.549 -6.958 2.596 87 HA GLN 11 HA GLN 11 6.549 -6.942 -0.201 88 1HB GLN 11 2HB GLN 11 5.783 -9.111 1.813 89 2HB GLN 11 3HB GLN 11 5.898 -9.466 0.096 90 1HG GLN 11 2HG GLN 11 8.124 -8.460 1.920 91 2HG GLN 11 3HG GLN 11 7.955 -10.089 1.237 92 1HE2 GLN 11 1HE2 GLN 11 7.429 -9.859 -1.349 93 2HE2 GLN 11 2HE2 GLN 11 8.367 -8.618 -2.175 94 H VAL 12 H VAL 12 5.123 -8.064 -1.787 95 HA VAL 12 HA VAL 12 2.254 -7.274 -1.435 96 HB VAL 12 HB VAL 12 4.035 -7.061 -3.906 97 1HG1 VAL 12 1HG1 VAL 12 1.760 -7.495 -4.625 98 2HG1 VAL 12 2HG1 VAL 12 1.111 -6.325 -3.449 99 3HG1 VAL 12 3HG1 VAL 12 2.076 -5.775 -4.833 100 1HG2 VAL 12 1HG2 VAL 12 2.883 -4.943 -2.051 101 2HG2 VAL 12 2HG2 VAL 12 4.610 -5.302 -2.311 102 3HG2 VAL 12 3HG2 VAL 12 3.650 -4.593 -3.610 103 H SER 13 H SER 13 0.702 -8.617 -2.654 104 HA SER 13 HA SER 13 1.754 -10.866 -4.184 105 1HB SER 13 2HB SER 13 0.158 -11.215 -1.625 106 2HB SER 13 3HB SER 13 0.109 -12.432 -2.908 107 HG SER 13 HG SER 13 2.613 -11.475 -2.066 108 H GLY 14 H GLY 14 -0.067 -12.025 -5.247 109 1HA GLY 14 2HA GLY 14 -1.814 -11.928 -6.746 110 2HA GLY 14 3HA GLY 14 -2.553 -10.641 -5.776 111 H MET 15 H MET 15 0.585 -10.930 -7.533 112 HA MET 15 HA MET 15 -0.074 -8.519 -9.129 113 1HB MET 15 2HB MET 15 2.126 -7.608 -8.763 114 2HB MET 15 3HB MET 15 1.343 -7.902 -7.214 115 1HG MET 15 2HG MET 15 3.441 -8.662 -6.759 116 2HG MET 15 3HG MET 15 2.688 -10.178 -7.250 117 1HE MET 15 1HE MET 15 6.391 -10.569 -8.446 118 2HE MET 15 2HE MET 15 5.769 -9.858 -6.945 119 3HE MET 15 3HE MET 15 5.036 -11.345 -7.596 120 H THR 16 H THR 16 1.043 -8.394 -11.083 121 HA THR 16 HA THR 16 2.809 -10.184 -12.261 122 HB THR 16 HB THR 16 0.804 -11.070 -13.964 123 HG1 THR 16 1HG THR 16 0.005 -11.563 -11.305 124 1HG2 THR 16 1HG2 THR 16 2.689 -12.442 -13.303 125 2HG2 THR 16 2HG2 THR 16 2.120 -12.583 -11.637 126 3HG2 THR 16 3HG2 THR 16 1.187 -13.308 -12.959 127 H CYS 17 H CYS 17 -0.095 -8.243 -12.962 128 HA CYS 17 HA CYS 17 0.587 -7.263 -15.452 129 1HB CYS 17 2HB CYS 17 -0.702 -5.649 -13.217 130 2HB CYS 17 3HB CYS 17 -0.885 -5.393 -14.959 131 H ALA 18 H ALA 18 2.184 -6.518 -12.451 132 HA ALA 18 HA ALA 18 3.857 -5.125 -11.843 133 1HB ALA 18 1HB ALA 18 4.954 -6.499 -13.601 134 2HB ALA 18 2HB ALA 18 4.587 -5.238 -14.797 135 3HB ALA 18 3HB ALA 18 5.671 -4.885 -13.439 136 H ALA 19 H ALA 19 1.377 -3.873 -12.441 137 HA ALA 19 HA ALA 19 2.195 -1.068 -12.686 138 1HB ALA 19 1HB ALA 19 0.353 -2.348 -14.758 139 2HB ALA 19 2HB ALA 19 0.668 -0.606 -14.579 140 3HB ALA 19 3HB ALA 19 1.981 -1.701 -15.052 141 H CYS 20 H CYS 20 -0.626 -3.327 -12.697 142 HA CYS 20 HA CYS 20 -2.480 -1.835 -11.333 143 1HB CYS 20 2HB CYS 20 -1.747 -4.801 -11.170 144 2HB CYS 20 3HB CYS 20 -3.222 -4.157 -10.453 145 H ALA 21 H ALA 21 0.303 -3.518 -9.889 146 HA ALA 21 HA ALA 21 -0.278 -3.066 -7.190 147 1HB ALA 21 1HB ALA 21 2.486 -3.018 -8.444 148 2HB ALA 21 2HB ALA 21 2.022 -3.535 -6.795 149 3HB ALA 21 3HB ALA 21 1.541 -4.499 -8.187 150 H ALA 22 H ALA 22 0.644 -0.703 -9.635 151 HA ALA 22 HA ALA 22 1.227 1.438 -7.713 152 1HB ALA 22 1HB ALA 22 2.105 1.408 -10.089 153 2HB ALA 22 2HB ALA 22 0.434 1.684 -10.638 154 3HB ALA 22 3HB ALA 22 1.240 2.884 -9.616 155 H ARG 23 H ARG 23 -1.562 0.303 -9.654 156 HA ARG 23 HA ARG 23 -3.327 2.487 -9.052 157 1HB ARG 23 2HB ARG 23 -4.023 -0.447 -9.542 158 2HB ARG 23 3HB ARG 23 -5.152 0.892 -9.533 159 1HG ARG 23 2HG ARG 23 -2.892 0.515 -11.558 160 2HG ARG 23 3HG ARG 23 -4.600 0.146 -11.786 161 1HD ARG 23 2HD ARG 23 -4.369 2.226 -12.811 162 2HD ARG 23 3HD ARG 23 -5.099 2.591 -11.232 163 HE ARG 23 HE ARG 23 -2.193 2.668 -11.203 164 1HH1 ARG 23 2HH2 ARG 23 -5.032 4.561 -12.074 165 2HH1 ARG 23 1HH2 ARG 23 -4.270 6.112 -11.910 166 1HH2 ARG 23 2HH1 ARG 23 -1.105 4.699 -11.062 167 2HH2 ARG 23 1HH1 ARG 23 -1.962 6.182 -11.333 168 H ILE 24 H ILE 24 -2.705 -0.628 -7.368 169 HA ILE 24 HA ILE 24 -4.573 -0.034 -5.350 170 HB ILE 24 HB ILE 24 -3.824 -1.712 -4.016 171 1HG1 ILE 24 2HG1 ILE 24 -1.237 -1.470 -5.439 172 2HG1 ILE 24 3HG1 ILE 24 -1.556 -1.276 -3.697 173 1HG2 ILE 24 1HG2 ILE 24 -4.744 -2.175 -6.426 174 2HG2 ILE 24 2HG2 ILE 24 -3.099 -2.740 -6.776 175 3HG2 ILE 24 3HG2 ILE 24 -4.057 -3.486 -5.480 176 1HD1 ILE 24 1HD1 ILE 24 -2.104 -3.732 -3.622 177 2HD1 ILE 24 2HD1 ILE 24 -1.530 -3.813 -5.314 178 3HD1 ILE 24 3HD1 ILE 24 -0.408 -3.365 -4.023 179 H GLU 25 H GLU 25 -0.998 0.489 -5.076 180 HA GLU 25 HA GLU 25 -1.050 1.836 -2.665 181 1HB GLU 25 2HB GLU 25 0.762 1.929 -5.060 182 2HB GLU 25 3HB GLU 25 1.001 3.134 -3.783 183 1HG GLU 25 2HG GLU 25 0.790 0.172 -3.122 184 2HG GLU 25 3HG GLU 25 2.316 0.975 -3.522 185 H LYS 26 H LYS 26 -1.789 3.236 -5.857 186 HA LYS 26 HA LYS 26 -1.839 5.939 -4.784 187 1HB LYS 26 2HB LYS 26 -2.503 4.800 -7.478 188 2HB LYS 26 3HB LYS 26 -3.005 6.430 -7.018 189 1HG LYS 26 2HG LYS 26 -0.917 6.684 -8.096 190 2HG LYS 26 3HG LYS 26 -0.644 7.003 -6.381 191 1HD LYS 26 2HD LYS 26 0.280 4.630 -6.158 192 2HD LYS 26 3HD LYS 26 -0.091 4.441 -7.864 193 1HE LYS 26 2HE LYS 26 2.195 4.818 -7.884 194 2HE LYS 26 3HE LYS 26 1.529 6.395 -8.309 195 1HZ LYS 26 1HZ LYS 26 1.895 7.071 -6.005 196 2HZ LYS 26 2HZ LYS 26 2.496 5.631 -5.577 197 3HZ LYS 26 3HZ LYS 26 3.288 6.543 -6.677 198 H GLY 27 H GLY 27 -4.361 3.478 -5.565 199 1HA GLY 27 2HA GLY 27 -6.604 5.122 -4.776 200 2HA GLY 27 3HA GLY 27 -6.553 3.356 -4.906 201 H LEU 28 H LEU 28 -4.310 3.076 -3.095 202 HA LEU 28 HA LEU 28 -5.557 2.844 -0.502 203 1HB LEU 28 2HB LEU 28 -3.963 1.330 -1.395 204 2HB LEU 28 3HB LEU 28 -2.714 2.567 -1.442 205 HG LEU 28 HG LEU 28 -4.071 1.789 1.140 206 1HD1 LEU 28 1HD1 LEU 28 -3.374 -0.263 0.178 207 2HD1 LEU 28 2HD1 LEU 28 -1.765 0.385 -0.220 208 3HD1 LEU 28 3HD1 LEU 28 -2.243 0.159 1.478 209 1HD2 LEU 28 1HD2 LEU 28 -1.315 2.910 0.351 210 2HD2 LEU 28 2HD2 LEU 28 -2.620 3.817 1.144 211 3HD2 LEU 28 3HD2 LEU 28 -1.788 2.513 2.011 212 H LYS 29 H LYS 29 -3.061 5.072 -1.867 213 HA LYS 29 HA LYS 29 -2.763 6.804 0.237 214 1HB LYS 29 2HB LYS 29 -1.702 6.913 -2.124 215 2HB LYS 29 3HB LYS 29 -3.135 7.848 -2.578 216 1HG LYS 29 2HG LYS 29 -2.512 9.283 -0.413 217 2HG LYS 29 3HG LYS 29 -0.932 8.556 -0.632 218 1HD LYS 29 2HD LYS 29 -2.519 10.156 -2.715 219 2HD LYS 29 3HD LYS 29 -1.254 10.800 -1.685 220 1HE LYS 29 2HE LYS 29 0.154 8.754 -2.806 221 2HE LYS 29 3HE LYS 29 -1.029 9.019 -4.092 222 1HZ LYS 29 1HZ LYS 29 -0.287 11.438 -3.948 223 2HZ LYS 29 2HZ LYS 29 0.928 10.914 -2.947 224 3HZ LYS 29 3HZ LYS 29 0.894 10.389 -4.444 225 H ARG 30 H ARG 30 -5.559 6.656 -1.935 226 HA ARG 30 HA ARG 30 -6.703 9.159 -1.133 227 1HB ARG 30 2HB ARG 30 -7.356 6.918 -2.915 228 2HB ARG 30 3HB ARG 30 -8.798 7.512 -2.122 229 1HG ARG 30 2HG ARG 30 -6.907 9.552 -3.292 230 2HG ARG 30 3HG ARG 30 -7.775 8.505 -4.412 231 1HD ARG 30 2HD ARG 30 -9.942 9.228 -3.606 232 2HD ARG 30 3HD ARG 30 -9.226 9.938 -2.162 233 HE ARG 30 HE ARG 30 -8.952 11.881 -3.225 234 1HH1 ARG 30 2HH2 ARG 30 -9.080 9.402 -5.719 235 2HH1 ARG 30 1HH2 ARG 30 -8.965 10.501 -7.062 236 1HH2 ARG 30 2HH1 ARG 30 -8.843 13.383 -4.965 237 2HH2 ARG 30 1HH1 ARG 30 -8.844 12.833 -6.607 238 H MET 31 H MET 31 -6.319 6.561 0.915 239 HA MET 31 HA MET 31 -8.880 6.790 2.293 240 1HB MET 31 2HB MET 31 -7.958 5.194 3.772 241 2HB MET 31 3HB MET 31 -7.280 4.800 2.202 242 1HG MET 31 2HG MET 31 -5.133 5.811 2.874 243 2HG MET 31 3HG MET 31 -5.852 6.379 4.370 244 1HE MET 31 1HE MET 31 -5.743 3.199 2.277 245 2HE MET 31 2HE MET 31 -4.071 3.207 2.861 246 3HE MET 31 3HE MET 31 -5.221 1.992 3.460 247 HA PRO 32 HA PRO 32 -7.561 10.143 5.061 248 1HB PRO 32 2HB PRO 32 -8.610 9.478 7.490 249 2HB PRO 32 3HB PRO 32 -9.622 10.021 6.119 250 1HG PRO 32 2HG PRO 32 -9.072 7.177 6.992 251 2HG PRO 32 3HG PRO 32 -10.655 7.917 6.618 252 1HD PRO 32 2HD PRO 32 -9.290 6.432 4.820 253 2HD PRO 32 3HD PRO 32 -10.222 7.851 4.284 254 H GLY 33 H GLY 33 -5.659 10.490 6.207 255 1HA GLY 33 2HA GLY 33 -4.097 10.070 7.842 256 2HA GLY 33 3HA GLY 33 -4.511 8.362 7.885 257 H VAL 34 H VAL 34 -4.199 8.103 4.829 258 HA VAL 34 HA VAL 34 -1.236 8.026 4.777 259 HB VAL 34 HB VAL 34 -3.234 7.199 2.665 260 1HG1 VAL 34 1HG1 VAL 34 -0.215 6.789 2.941 261 2HG1 VAL 34 2HG1 VAL 34 -1.231 5.951 1.760 262 3HG1 VAL 34 3HG1 VAL 34 -1.046 7.708 1.675 263 1HG2 VAL 34 1HG2 VAL 34 -2.769 4.922 3.362 264 2HG2 VAL 34 2HG2 VAL 34 -1.614 5.443 4.578 265 3HG2 VAL 34 3HG2 VAL 34 -3.320 5.817 4.793 266 H THR 35 H THR 35 0.055 9.363 3.562 267 HA THR 35 HA THR 35 -1.324 11.645 2.187 268 HB THR 35 HB THR 35 0.645 11.644 4.321 269 HG1 THR 35 1HG THR 35 -0.128 13.720 4.477 270 1HG2 THR 35 1HG2 THR 35 1.320 13.217 1.799 271 2HG2 THR 35 2HG2 THR 35 1.923 13.605 3.411 272 3HG2 THR 35 3HG2 THR 35 2.342 12.045 2.691 273 H ASP 36 H ASP 36 1.416 9.248 1.991 274 HA ASP 36 HA ASP 36 1.160 9.565 -0.874 275 1HB ASP 36 2HB ASP 36 3.475 10.703 0.567 276 2HB ASP 36 3HB ASP 36 3.959 9.485 -0.618 277 H ALA 37 H ALA 37 2.485 7.921 -2.008 278 HA ALA 37 HA ALA 37 2.886 5.411 -0.604 279 1HB ALA 37 1HB ALA 37 0.335 5.866 -2.215 280 2HB ALA 37 2HB ALA 37 0.876 4.276 -1.675 281 3HB ALA 37 3HB ALA 37 0.435 5.490 -0.478 282 H ASN 38 H ASN 38 3.902 3.801 -1.797 283 HA ASN 38 HA ASN 38 4.659 4.473 -4.546 284 1HB ASN 38 2HB ASN 38 7.161 4.244 -3.191 285 2HB ASN 38 3HB ASN 38 6.543 5.527 -4.220 286 1HD2 ASN 38 1HD2 ASN 38 5.950 4.438 -0.810 287 2HD2 ASN 38 2HD2 ASN 38 6.317 6.019 -0.129 288 H VAL 39 H VAL 39 4.463 2.589 -5.465 289 HA VAL 39 HA VAL 39 4.934 0.105 -4.021 290 HB VAL 39 HB VAL 39 2.995 0.332 -5.421 291 1HG1 VAL 39 1HG1 VAL 39 3.539 1.866 -7.154 292 2HG1 VAL 39 2HG1 VAL 39 4.803 0.823 -7.823 293 3HG1 VAL 39 3HG1 VAL 39 3.146 0.301 -7.884 294 1HG2 VAL 39 1HG2 VAL 39 4.046 -1.837 -5.063 295 2HG2 VAL 39 2HG2 VAL 39 3.189 -1.713 -6.607 296 3HG2 VAL 39 3HG2 VAL 39 4.953 -1.624 -6.584 297 H ASN 40 H ASN 40 7.141 -0.283 -3.651 298 HA ASN 40 HA ASN 40 9.070 0.277 -5.817 299 1HB ASN 40 2HB ASN 40 9.536 0.866 -3.459 300 2HB ASN 40 3HB ASN 40 9.494 -0.851 -3.032 301 1HD2 ASN 40 1HD2 ASN 40 11.777 -0.067 -2.294 302 2HD2 ASN 40 2HD2 ASN 40 13.053 -0.238 -3.490 303 H LEU 41 H LEU 41 7.422 -1.374 -6.899 304 HA LEU 41 HA LEU 41 7.870 -4.172 -6.377 305 1HB LEU 41 2HB LEU 41 6.156 -2.588 -8.090 306 2HB LEU 41 3HB LEU 41 6.929 -3.790 -9.076 307 HG LEU 41 HG LEU 41 4.694 -4.382 -8.080 308 1HD1 LEU 41 1HD1 LEU 41 7.083 -6.229 -7.794 309 2HD1 LEU 41 2HD1 LEU 41 5.403 -6.773 -7.607 310 3HD1 LEU 41 3HD1 LEU 41 5.950 -6.087 -9.150 311 1HD2 LEU 41 1HD2 LEU 41 5.369 -3.654 -5.660 312 2HD2 LEU 41 2HD2 LEU 41 4.402 -5.120 -5.898 313 3HD2 LEU 41 3HD2 LEU 41 6.125 -5.244 -5.554 314 H ALA 42 H ALA 42 9.645 -1.818 -8.111 315 HA ALA 42 HA ALA 42 11.285 -3.236 -9.846 316 1HB ALA 42 1HB ALA 42 13.050 -1.694 -9.205 317 2HB ALA 42 2HB ALA 42 11.509 -0.800 -9.245 318 3HB ALA 42 3HB ALA 42 12.222 -1.308 -7.689 319 H THR 43 H THR 43 11.238 -3.330 -6.258 320 HA THR 43 HA THR 43 12.879 -5.799 -6.425 321 HB THR 43 HB THR 43 14.389 -4.144 -5.591 322 HG1 THR 43 1HG THR 43 13.332 -5.804 -3.571 323 1HG2 THR 43 1HG2 THR 43 12.257 -3.436 -3.529 324 2HG2 THR 43 2HG2 THR 43 13.953 -2.916 -3.467 325 3HG2 THR 43 3HG2 THR 43 12.926 -2.401 -4.812 326 H GLU 44 H GLU 44 10.119 -5.646 -6.651 327 HA GLU 44 HA GLU 44 8.153 -6.408 -5.806 328 1HB GLU 44 2HB GLU 44 10.217 -8.339 -4.703 329 2HB GLU 44 3HB GLU 44 8.479 -8.668 -4.745 330 1HG GLU 44 2HG GLU 44 8.399 -8.421 -7.169 331 2HG GLU 44 3HG GLU 44 10.122 -8.006 -7.222 332 H THR 45 H THR 45 9.115 -4.205 -4.076 333 HA THR 45 HA THR 45 8.009 -5.048 -1.442 334 HB THR 45 HB THR 45 10.082 -2.919 -2.154 335 HG1 THR 45 1HG THR 45 10.758 -5.202 -2.358 336 1HG2 THR 45 1HG2 THR 45 10.565 -2.972 0.272 337 2HG2 THR 45 2HG2 THR 45 8.913 -2.415 -0.042 338 3HG2 THR 45 3HG2 THR 45 9.207 -4.093 0.505 339 H VAL 46 H VAL 46 6.815 -3.202 -0.360 340 HA VAL 46 HA VAL 46 6.000 -0.983 -2.166 341 HB VAL 46 HB VAL 46 4.184 -2.519 -2.336 342 1HG1 VAL 46 1HG1 VAL 46 2.881 -3.280 -0.351 343 2HG1 VAL 46 2HG1 VAL 46 4.522 -3.944 -0.344 344 3HG1 VAL 46 3HG1 VAL 46 4.111 -2.560 0.691 345 1HG2 VAL 46 1HG2 VAL 46 3.355 -0.423 -0.286 346 2HG2 VAL 46 2HG2 VAL 46 3.697 -0.077 -1.993 347 3HG2 VAL 46 3HG2 VAL 46 2.365 -1.170 -1.550 348 H ASN 47 H ASN 47 5.646 1.031 -1.118 349 HA ASN 47 HA ASN 47 6.330 1.134 1.758 350 1HB ASN 47 2HB ASN 47 7.551 2.675 -0.585 351 2HB ASN 47 3HB ASN 47 7.544 3.329 1.053 352 1HD2 ASN 47 1HD2 ASN 47 8.398 1.753 2.814 353 2HD2 ASN 47 2HD2 ASN 47 9.984 1.133 2.381 354 H VAL 48 H VAL 48 4.983 2.627 2.865 355 HA VAL 48 HA VAL 48 3.113 4.227 1.223 356 HB VAL 48 HB VAL 48 1.896 2.232 1.689 357 1HG1 VAL 48 1HG1 VAL 48 3.166 1.184 3.418 358 2HG1 VAL 48 2HG1 VAL 48 2.808 2.475 4.570 359 3HG1 VAL 48 3HG1 VAL 48 1.515 1.397 4.007 360 1HG2 VAL 48 1HG2 VAL 48 1.124 4.544 3.498 361 2HG2 VAL 48 2HG2 VAL 48 0.546 4.151 1.878 362 3HG2 VAL 48 3HG2 VAL 48 0.118 3.114 3.255 363 H ILE 49 H ILE 49 3.026 6.259 2.003 364 HA ILE 49 HA ILE 49 4.665 6.829 4.366 365 HB ILE 49 HB ILE 49 3.870 8.776 2.171 366 1HG1 ILE 49 2HG1 ILE 49 5.048 7.124 0.972 367 2HG1 ILE 49 3HG1 ILE 49 6.111 8.504 1.217 368 1HG2 ILE 49 1HG2 ILE 49 6.014 8.846 4.327 369 2HG2 ILE 49 2HG2 ILE 49 5.850 10.027 3.011 370 3HG2 ILE 49 3HG2 ILE 49 4.565 9.855 4.213 371 1HD1 ILE 49 1HD1 ILE 49 7.451 6.557 1.563 372 2HD1 ILE 49 2HD1 ILE 49 7.162 7.248 3.163 373 3HD1 ILE 49 3HD1 ILE 49 6.257 5.813 2.636 374 H TYR 50 H TYR 50 3.241 6.984 6.127 375 HA TYR 50 HA TYR 50 0.757 8.610 5.829 376 1HB TYR 50 2HB TYR 50 -0.658 6.875 6.652 377 2HB TYR 50 3HB TYR 50 0.224 6.289 5.257 378 HD1 TYR 50 HD1 TYR 50 1.871 4.438 5.512 379 HD2 TYR 50 HD2 TYR 50 -0.273 5.986 8.892 380 HE1 TYR 50 HE1 TYR 50 2.036 2.239 6.648 381 HE2 TYR 50 HE2 TYR 50 0.348 3.951 10.181 382 HH TYR 50 HH TYR 50 1.221 1.858 10.087 383 H ASP 51 H ASP 51 -0.408 8.767 7.867 384 HA ASP 51 HA ASP 51 1.503 9.390 10.067 385 1HB ASP 51 2HB ASP 51 -0.101 11.108 9.507 386 2HB ASP 51 3HB ASP 51 -1.447 9.995 9.773 387 HA PRO 52 HA PRO 52 0.038 5.405 11.699 388 1HB PRO 52 2HB PRO 52 2.051 4.713 13.356 389 2HB PRO 52 3HB PRO 52 2.237 4.660 11.587 390 1HG PRO 52 2HG PRO 52 3.019 6.943 13.448 391 2HG PRO 52 3HG PRO 52 4.044 6.130 12.230 392 1HD PRO 52 2HD PRO 52 2.713 8.465 11.702 393 2HD PRO 52 3HD PRO 52 2.916 7.197 10.454 394 H ALA 53 H ALA 53 -0.199 8.436 13.026 395 HA ALA 53 HA ALA 53 -1.115 7.504 15.672 396 1HB ALA 53 1HB ALA 53 -1.426 10.174 14.255 397 2HB ALA 53 2HB ALA 53 -1.715 9.824 15.967 398 3HB ALA 53 3HB ALA 53 -0.057 9.773 15.320 399 H GLU 54 H GLU 54 -2.135 7.961 12.308 400 HA GLU 54 HA GLU 54 -4.954 7.993 13.159 401 1HB GLU 54 2HB GLU 54 -3.733 9.922 11.693 402 2HB GLU 54 3HB GLU 54 -4.273 8.864 10.383 403 1HG GLU 54 2HG GLU 54 -6.591 8.917 11.404 404 2HG GLU 54 3HG GLU 54 -5.979 10.064 12.610 405 H THR 55 H THR 55 -2.810 6.877 10.518 406 HA THR 55 HA THR 55 -4.371 4.435 10.316 407 HB THR 55 HB THR 55 -2.512 4.077 8.281 408 HG1 THR 55 1HG THR 55 -3.518 6.544 7.868 409 1HG2 THR 55 1HG2 THR 55 -4.469 4.622 6.928 410 2HG2 THR 55 2HG2 THR 55 -4.957 3.632 8.333 411 3HG2 THR 55 3HG2 THR 55 -5.294 5.396 8.308 412 H GLY 56 H GLY 56 -2.855 2.640 9.557 413 1HA GLY 56 2HA GLY 56 -0.664 1.826 11.079 414 2HA GLY 56 3HA GLY 56 -2.188 1.268 11.834 415 H THR 57 H THR 57 -2.033 -0.905 11.034 416 HA THR 57 HA THR 57 -1.554 -1.556 8.230 417 HB THR 57 HB THR 57 -1.986 -3.865 9.276 418 HG1 THR 57 1HG THR 57 -2.037 -3.825 11.570 419 1HG2 THR 57 1HG2 THR 57 0.193 -3.841 10.499 420 2HG2 THR 57 2HG2 THR 57 0.312 -2.877 9.015 421 3HG2 THR 57 3HG2 THR 57 0.155 -2.068 10.581 422 H ALA 58 H ALA 58 -4.098 -1.158 10.600 423 HA ALA 58 HA ALA 58 -6.209 -2.479 9.747 424 1HB ALA 58 1HB ALA 58 -7.646 -0.708 10.698 425 2HB ALA 58 2HB ALA 58 -6.237 -1.052 11.719 426 3HB ALA 58 3HB ALA 58 -6.259 0.401 10.697 427 H ALA 59 H ALA 59 -5.475 0.684 8.385 428 HA ALA 59 HA ALA 59 -8.005 0.492 6.810 429 1HB ALA 59 1HB ALA 59 -7.367 2.659 7.818 430 2HB ALA 59 2HB ALA 59 -5.946 2.663 6.740 431 3HB ALA 59 3HB ALA 59 -7.587 2.718 6.055 432 H ILE 60 H ILE 60 -4.535 0.279 6.468 433 HA ILE 60 HA ILE 60 -4.352 0.080 3.632 434 HB ILE 60 HB ILE 60 -2.616 -0.518 6.031 435 1HG1 ILE 60 2HG1 ILE 60 -1.189 0.773 4.077 436 2HG1 ILE 60 3HG1 ILE 60 -2.780 1.368 3.717 437 1HG2 ILE 60 1HG2 ILE 60 -1.915 -1.518 3.259 438 2HG2 ILE 60 2HG2 ILE 60 -0.824 -1.392 4.664 439 3HG2 ILE 60 3HG2 ILE 60 -2.183 -2.505 4.718 440 1HD1 ILE 60 1HD1 ILE 60 -1.644 2.891 5.260 441 2HD1 ILE 60 2HD1 ILE 60 -2.923 2.078 6.187 442 3HD1 ILE 60 3HD1 ILE 60 -1.219 1.561 6.342 443 H GLN 61 H GLN 61 -4.750 -2.556 6.046 444 HA GLN 61 HA GLN 61 -4.704 -4.536 3.975 445 1HB GLN 61 2HB GLN 61 -5.284 -4.505 6.841 446 2HB GLN 61 3HB GLN 61 -6.438 -5.489 5.931 447 1HG GLN 61 2HG GLN 61 -4.919 -7.072 6.418 448 2HG GLN 61 3HG GLN 61 -4.393 -6.608 4.803 449 1HE2 GLN 61 1HE2 GLN 61 -3.124 -4.040 5.816 450 2HE2 GLN 61 2HE2 GLN 61 -1.663 -4.588 6.626 451 H GLU 62 H GLU 62 -7.415 -2.783 5.566 452 HA GLU 62 HA GLU 62 -9.600 -3.848 4.200 453 1HB GLU 62 2HB GLU 62 -8.916 -1.272 5.569 454 2HB GLU 62 3HB GLU 62 -10.232 -1.150 4.402 455 1HG GLU 62 2HG GLU 62 -10.156 -3.252 6.598 456 2HG GLU 62 3HG GLU 62 -10.957 -1.679 6.750 457 H LYS 63 H LYS 63 -7.668 -0.972 3.166 458 HA LYS 63 HA LYS 63 -9.045 -0.720 0.720 459 1HB LYS 63 2HB LYS 63 -6.539 0.375 2.006 460 2HB LYS 63 3HB LYS 63 -6.752 0.602 0.295 461 1HG LYS 63 2HG LYS 63 -8.920 1.262 2.309 462 2HG LYS 63 3HG LYS 63 -7.732 2.457 1.810 463 1HD LYS 63 2HD LYS 63 -8.607 2.772 -0.289 464 2HD LYS 63 3HD LYS 63 -8.991 1.084 -0.498 465 1HE LYS 63 2HE LYS 63 -11.124 1.852 -0.412 466 2HE LYS 63 3HE LYS 63 -10.903 1.518 1.302 467 1HZ LYS 63 1HZ LYS 63 -11.855 3.662 0.975 468 2HZ LYS 63 2HZ LYS 63 -10.331 3.888 1.556 469 3HZ LYS 63 3HZ LYS 63 -10.652 4.134 -0.042 470 H ILE 64 H ILE 64 -6.038 -2.462 1.596 471 HA ILE 64 HA ILE 64 -5.016 -3.103 -0.857 472 HB ILE 64 HB ILE 64 -4.943 -4.115 1.872 473 1HG1 ILE 64 2HG1 ILE 64 -3.346 -2.537 0.740 474 2HG1 ILE 64 3HG1 ILE 64 -2.658 -3.880 1.646 475 1HG2 ILE 64 1HG2 ILE 64 -3.697 -6.150 1.405 476 2HG2 ILE 64 2HG2 ILE 64 -5.436 -6.243 1.156 477 3HG2 ILE 64 3HG2 ILE 64 -4.351 -6.107 -0.251 478 1HD1 ILE 64 1HD1 ILE 64 -3.027 -3.842 -1.378 479 2HD1 ILE 64 2HD1 ILE 64 -1.505 -3.586 -0.495 480 3HD1 ILE 64 3HD1 ILE 64 -2.326 -5.160 -0.424 481 H GLU 65 H GLU 65 -7.435 -4.886 1.159 482 HA GLU 65 HA GLU 65 -8.152 -6.896 -0.713 483 1HB GLU 65 2HB GLU 65 -9.507 -5.671 1.717 484 2HB GLU 65 3HB GLU 65 -10.305 -6.925 0.764 485 1HG GLU 65 2HG GLU 65 -7.488 -7.381 1.751 486 2HG GLU 65 3HG GLU 65 -8.869 -7.613 2.828 487 H LYS 66 H LYS 66 -9.891 -3.821 0.075 488 HA LYS 66 HA LYS 66 -11.897 -4.199 -1.890 489 1HB LYS 66 2HB LYS 66 -10.845 -1.882 -0.316 490 2HB LYS 66 3HB LYS 66 -11.806 -1.465 -1.715 491 1HG LYS 66 2HG LYS 66 -12.715 -3.511 0.334 492 2HG LYS 66 3HG LYS 66 -13.028 -1.801 0.563 493 1HD LYS 66 2HD LYS 66 -14.010 -3.399 -1.881 494 2HD LYS 66 3HD LYS 66 -14.914 -3.133 -0.402 495 1HE LYS 66 2HE LYS 66 -15.799 -1.440 -1.635 496 2HE LYS 66 3HE LYS 66 -14.490 -0.567 -0.840 497 1HZ LYS 66 1HZ LYS 66 -13.199 -0.927 -2.911 498 2HZ LYS 66 2HZ LYS 66 -14.496 -1.658 -3.590 499 3HZ LYS 66 3HZ LYS 66 -14.582 -0.075 -3.164 500 H LEU 67 H LEU 67 -8.661 -2.945 -2.301 501 HA LEU 67 HA LEU 67 -9.039 -2.004 -5.019 502 1HB LEU 67 2HB LEU 67 -6.609 -2.521 -3.294 503 2HB LEU 67 3HB LEU 67 -6.511 -1.899 -4.943 504 HG LEU 67 HG LEU 67 -8.291 -0.503 -2.908 505 1HD1 LEU 67 1HD1 LEU 67 -6.076 -0.632 -1.846 506 2HD1 LEU 67 2HD1 LEU 67 -5.333 -0.028 -3.307 507 3HD1 LEU 67 3HD1 LEU 67 -6.432 1.016 -2.388 508 1HD2 LEU 67 1HD2 LEU 67 -8.550 0.149 -5.281 509 2HD2 LEU 67 2HD2 LEU 67 -7.841 1.451 -4.323 510 3HD2 LEU 67 3HD2 LEU 67 -6.812 0.475 -5.388 511 H GLY 68 H GLY 68 -8.697 -5.121 -3.600 512 1HA GLY 68 2HA GLY 68 -9.075 -7.098 -4.717 513 2HA GLY 68 3HA GLY 68 -8.665 -6.353 -6.270 514 H TYR 69 H TYR 69 -6.811 -6.435 -3.159 515 HA TYR 69 HA TYR 69 -4.619 -7.949 -4.484 516 1HB TYR 69 2HB TYR 69 -4.796 -5.082 -4.087 517 2HB TYR 69 3HB TYR 69 -3.523 -5.711 -3.070 518 HD1 TYR 69 HD1 TYR 69 -4.796 -5.635 -6.579 519 HD2 TYR 69 HD2 TYR 69 -1.460 -6.530 -4.002 520 HE1 TYR 69 HE1 TYR 69 -3.327 -5.690 -8.520 521 HE2 TYR 69 HE2 TYR 69 0.040 -6.461 -5.934 522 HH TYR 69 HH TYR 69 -1.184 -6.125 -9.276 523 H HIS 70 H HIS 70 -2.718 -8.065 -2.829 524 HA HIS 70 HA HIS 70 -3.669 -8.492 -0.057 525 1HB HIS 70 2HB HIS 70 -3.973 -10.558 -1.474 526 2HB HIS 70 3HB HIS 70 -2.232 -10.581 -1.746 527 HD1 HIS 70 1HD HIS 70 -4.642 -12.277 0.251 528 HD2 HIS 70 2HD HIS 70 -0.869 -10.554 0.931 529 HE1 HIS 70 1HE HIS 70 -3.645 -13.472 2.276 530 H VAL 71 H VAL 71 -2.079 -7.833 1.372 531 HA VAL 71 HA VAL 71 0.629 -7.193 0.300 532 HB VAL 71 HB VAL 71 -0.739 -5.254 1.068 533 1HG1 VAL 71 1HG1 VAL 71 -1.084 -4.808 3.417 534 2HG1 VAL 71 2HG1 VAL 71 -1.912 -6.321 3.015 535 3HG1 VAL 71 3HG1 VAL 71 -0.361 -6.354 3.881 536 1HG2 VAL 71 1HG2 VAL 71 1.781 -5.750 2.644 537 2HG2 VAL 71 2HG2 VAL 71 1.675 -5.166 0.960 538 3HG2 VAL 71 3HG2 VAL 71 1.015 -4.183 2.265 539 H VAL 72 H VAL 72 2.396 -8.043 1.453 540 HA VAL 72 HA VAL 72 1.713 -10.112 3.501 541 HB VAL 72 HB VAL 72 3.977 -10.323 1.595 542 1HG1 VAL 72 1HG1 VAL 72 3.916 -12.699 2.258 543 2HG1 VAL 72 2HG1 VAL 72 4.104 -11.670 3.682 544 3HG1 VAL 72 3HG1 VAL 72 2.520 -12.380 3.306 545 1HG2 VAL 72 1HG2 VAL 72 1.990 -10.382 0.168 546 2HG2 VAL 72 2HG2 VAL 72 2.624 -12.022 0.371 547 3HG2 VAL 72 3HG2 VAL 72 1.198 -11.518 1.291 548 H ILE 73 H ILE 73 2.992 -10.129 5.295 549 HA ILE 73 HA ILE 73 5.095 -8.028 5.528 550 HB ILE 73 HB ILE 73 3.146 -8.980 7.634 551 1HG1 ILE 73 2HG1 ILE 73 2.824 -6.346 7.593 552 2HG1 ILE 73 3HG1 ILE 73 3.442 -6.479 5.950 553 1HG2 ILE 73 1HG2 ILE 73 5.357 -8.521 8.663 554 2HG2 ILE 73 2HG2 ILE 73 5.436 -6.984 7.774 555 3HG2 ILE 73 3HG2 ILE 73 4.197 -7.249 9.031 556 1HD1 ILE 73 1HD1 ILE 73 0.961 -6.487 6.175 557 2HD1 ILE 73 2HD1 ILE 73 1.559 -7.968 5.405 558 3HD1 ILE 73 3HD1 ILE 73 1.088 -7.988 7.127 559 H GLU 74 H GLU 74 6.494 -9.774 4.574 560 HA GLU 74 HA GLU 74 7.283 -11.875 6.269 561 1HB GLU 74 2HB GLU 74 8.309 -10.655 3.706 562 2HB GLU 74 3HB GLU 74 9.237 -11.855 4.591 563 1HG GLU 74 2HG GLU 74 7.413 -13.482 4.446 564 2HG GLU 74 3HG GLU 74 6.396 -12.305 3.594 565 H GLY 75 H GLY 75 7.533 -8.755 6.720 566 1HA GLY 75 2HA GLY 75 10.307 -8.331 7.498 567 2HA GLY 75 3HA GLY 75 8.909 -7.270 7.797 568 H ARG 76 H ARG 76 7.702 -9.964 8.954 569 HA ARG 76 HA ARG 76 8.957 -9.969 11.586 570 1HB ARG 76 2HB ARG 76 7.135 -8.291 11.737 571 2HB ARG 76 3HB ARG 76 5.975 -9.475 11.098 572 1HG ARG 76 2HG ARG 76 6.084 -10.830 13.024 573 2HG ARG 76 3HG ARG 76 7.634 -10.141 13.539 574 1HD ARG 76 2HD ARG 76 6.549 -7.989 14.007 575 2HD ARG 76 3HD ARG 76 4.961 -8.681 13.572 576 HE ARG 76 HE ARG 76 5.951 -10.441 15.433 577 1HH1 ARG 76 2HH2 ARG 76 5.347 -6.977 15.448 578 2HH1 ARG 76 1HH2 ARG 76 5.186 -6.828 17.171 579 1HH2 ARG 76 2HH1 ARG 76 5.721 -10.313 17.729 580 2HH2 ARG 76 1HH1 ARG 76 5.377 -8.799 18.501 Start of MODEL 17 1 1H MET 1 H1 MET 1 3.797 21.032 14.464 2 2H MET 1 H2 MET 1 5.090 21.012 13.409 3 3H MET 1 H3 MET 1 3.557 21.336 12.870 4 HA MET 1 HA MET 1 4.042 19.113 12.289 5 1HB MET 1 2HB MET 1 4.494 18.705 15.285 6 2HB MET 1 3HB MET 1 4.479 17.454 14.038 7 1HG MET 1 2HG MET 1 6.460 18.687 12.962 8 2HG MET 1 3HG MET 1 6.543 19.632 14.465 9 1HE MET 1 1HE MET 1 9.616 17.324 14.927 10 2HE MET 1 2HE MET 1 9.071 18.246 13.507 11 3HE MET 1 3HE MET 1 8.988 18.973 15.134 12 H LEU 2 H LEU 2 2.087 18.032 11.964 13 HA LEU 2 HA LEU 2 0.216 17.625 14.123 14 1HB LEU 2 2HB LEU 2 -0.628 19.799 13.068 15 2HB LEU 2 3HB LEU 2 -0.658 18.961 11.515 16 HG LEU 2 HG LEU 2 -2.172 17.193 12.876 17 1HD1 LEU 2 1HD1 LEU 2 -3.595 18.299 14.528 18 2HD1 LEU 2 2HD1 LEU 2 -1.905 18.386 15.055 19 3HD1 LEU 2 3HD1 LEU 2 -2.689 19.815 14.345 20 1HD2 LEU 2 1HD2 LEU 2 -4.169 18.380 12.104 21 2HD2 LEU 2 2HD2 LEU 2 -3.207 19.852 11.831 22 3HD2 LEU 2 3HD2 LEU 2 -2.894 18.382 10.878 23 H SER 3 H SER 3 -0.153 15.435 13.814 24 HA SER 3 HA SER 3 -0.064 13.371 12.900 25 1HB SER 3 2HB SER 3 -0.292 14.607 10.123 26 2HB SER 3 3HB SER 3 -0.676 12.979 10.612 27 HG SER 3 HG SER 3 -2.414 13.723 11.795 28 H GLU 4 H GLU 4 1.966 12.545 13.342 29 HA GLU 4 HA GLU 4 4.334 13.351 11.830 30 1HB GLU 4 2HB GLU 4 3.684 11.352 13.918 31 2HB GLU 4 3HB GLU 4 4.936 10.916 12.777 32 1HG GLU 4 2HG GLU 4 6.051 13.040 13.267 33 2HG GLU 4 3HG GLU 4 4.853 13.317 14.536 34 H GLN 5 H GLN 5 5.353 11.482 10.501 35 HA GLN 5 HA GLN 5 3.334 9.864 9.071 36 1HB GLN 5 2HB GLN 5 5.464 11.615 7.805 37 2HB GLN 5 3HB GLN 5 4.662 10.284 6.997 38 1HG GLN 5 2HG GLN 5 2.591 11.955 8.121 39 2HG GLN 5 3HG GLN 5 3.747 13.016 7.313 40 1HE2 GLN 5 1HE2 GLN 5 2.491 9.713 6.754 41 2HE2 GLN 5 2HE2 GLN 5 2.025 9.948 5.080 42 H LYS 6 H LYS 6 4.189 7.888 8.298 43 HA LYS 6 HA LYS 6 7.060 7.443 8.581 44 1HB LYS 6 2HB LYS 6 5.056 5.650 10.018 45 2HB LYS 6 3HB LYS 6 6.746 5.259 9.697 46 1HG LYS 6 2HG LYS 6 7.365 7.436 10.932 47 2HG LYS 6 3HG LYS 6 5.685 7.509 11.447 48 1HD LYS 6 2HD LYS 6 6.875 6.511 13.220 49 2HD LYS 6 3HD LYS 6 5.981 5.183 12.450 50 1HE LYS 6 2HE LYS 6 8.041 4.455 11.259 51 2HE LYS 6 3HE LYS 6 8.905 5.891 11.825 52 1HZ LYS 6 1HZ LYS 6 8.701 5.054 14.057 53 2HZ LYS 6 2HZ LYS 6 7.900 3.712 13.525 54 3HZ LYS 6 3HZ LYS 6 9.466 3.970 13.085 55 H GLU 7 H GLU 7 7.802 5.713 7.509 56 HA GLU 7 HA GLU 7 6.320 4.941 5.100 57 1HB GLU 7 2HB GLU 7 9.242 4.340 5.561 58 2HB GLU 7 3HB GLU 7 8.384 4.794 4.097 59 1HG GLU 7 2HG GLU 7 9.625 6.676 4.489 60 2HG GLU 7 3HG GLU 7 8.178 7.164 5.368 61 H ILE 8 H ILE 8 5.271 2.961 5.316 62 HA ILE 8 HA ILE 8 6.619 0.789 6.904 63 HB ILE 8 HB ILE 8 4.760 -0.589 6.478 64 1HG1 ILE 8 2HG1 ILE 8 2.638 0.434 5.570 65 2HG1 ILE 8 3HG1 ILE 8 3.667 1.694 4.857 66 1HG2 ILE 8 1HG2 ILE 8 3.167 0.479 7.796 67 2HG2 ILE 8 2HG2 ILE 8 4.774 0.926 8.405 68 3HG2 ILE 8 3HG2 ILE 8 3.832 2.097 7.438 69 1HD1 ILE 8 1HD1 ILE 8 3.015 -0.483 3.499 70 2HD1 ILE 8 2HD1 ILE 8 4.700 0.090 3.430 71 3HD1 ILE 8 3HD1 ILE 8 4.261 -1.237 4.518 72 H ALA 9 H ALA 9 7.051 -1.275 5.817 73 HA ALA 9 HA ALA 9 7.646 -1.127 2.935 74 1HB ALA 9 1HB ALA 9 9.910 -1.973 3.273 75 2HB ALA 9 2HB ALA 9 9.752 -0.418 4.120 76 3HB ALA 9 3HB ALA 9 9.712 -1.931 5.037 77 H MET 10 H MET 10 6.495 -2.908 2.219 78 HA MET 10 HA MET 10 6.494 -5.392 3.878 79 1HB MET 10 2HB MET 10 4.043 -3.820 2.972 80 2HB MET 10 3HB MET 10 4.000 -5.504 3.522 81 1HG MET 10 2HG MET 10 4.793 -4.955 5.691 82 2HG MET 10 3HG MET 10 5.069 -3.265 5.258 83 1HE MET 10 1HE MET 10 2.162 -3.253 7.837 84 2HE MET 10 2HE MET 10 3.620 -4.262 7.780 85 3HE MET 10 3HE MET 10 3.744 -2.515 7.466 86 H GLN 11 H GLN 11 5.235 -7.148 2.624 87 HA GLN 11 HA GLN 11 6.456 -7.188 -0.095 88 1HB GLN 11 2HB GLN 11 5.683 -9.280 1.991 89 2HB GLN 11 3HB GLN 11 5.984 -9.739 0.309 90 1HG GLN 11 2HG GLN 11 7.924 -8.379 2.249 91 2HG GLN 11 3HG GLN 11 7.996 -10.048 1.662 92 1HE2 GLN 11 1HE2 GLN 11 7.711 -10.068 -0.947 93 2HE2 GLN 11 2HE2 GLN 11 8.574 -8.783 -1.783 94 H VAL 12 H VAL 12 5.237 -8.370 -1.795 95 HA VAL 12 HA VAL 12 2.329 -7.637 -1.659 96 HB VAL 12 HB VAL 12 4.261 -7.521 -4.026 97 1HG1 VAL 12 1HG1 VAL 12 1.377 -6.582 -3.715 98 2HG1 VAL 12 2HG1 VAL 12 2.421 -6.269 -5.119 99 3HG1 VAL 12 3HG1 VAL 12 1.937 -7.923 -4.741 100 1HG2 VAL 12 1HG2 VAL 12 3.113 -5.263 -2.339 101 2HG2 VAL 12 2HG2 VAL 12 4.831 -5.725 -2.442 102 3HG2 VAL 12 3HG2 VAL 12 4.015 -5.055 -3.854 103 H SER 13 H SER 13 0.892 -9.164 -2.601 104 HA SER 13 HA SER 13 2.012 -11.491 -4.043 105 1HB SER 13 2HB SER 13 0.062 -11.608 -1.701 106 2HB SER 13 3HB SER 13 0.385 -12.959 -2.803 107 HG SER 13 HG SER 13 1.681 -13.046 -0.901 108 H GLY 14 H GLY 14 0.296 -12.573 -5.274 109 1HA GLY 14 2HA GLY 14 -1.469 -12.598 -6.738 110 2HA GLY 14 3HA GLY 14 -2.368 -11.772 -5.455 111 H MET 15 H MET 15 0.125 -11.056 -7.951 112 HA MET 15 HA MET 15 -1.206 -8.445 -8.514 113 1HB MET 15 2HB MET 15 1.115 -7.684 -9.138 114 2HB MET 15 3HB MET 15 0.837 -7.917 -7.406 115 1HG MET 15 2HG MET 15 2.077 -9.870 -7.288 116 2HG MET 15 3HG MET 15 2.108 -10.118 -9.041 117 1HE MET 15 1HE MET 15 3.030 -7.329 -10.259 118 2HE MET 15 2HE MET 15 4.779 -7.627 -10.272 119 3HE MET 15 3HE MET 15 3.655 -8.938 -10.699 120 H THR 16 H THR 16 -1.380 -7.799 -10.640 121 HA THR 16 HA THR 16 -0.886 -9.747 -12.790 122 HB THR 16 HB THR 16 -1.730 -7.492 -14.016 123 HG1 THR 16 1HG THR 16 -3.282 -7.153 -11.789 124 1HG2 THR 16 1HG2 THR 16 -2.932 -9.607 -14.095 125 2HG2 THR 16 2HG2 THR 16 -3.510 -9.401 -12.428 126 3HG2 THR 16 3HG2 THR 16 -4.064 -8.300 -13.717 127 H CYS 17 H CYS 17 -0.086 -6.229 -12.294 128 HA CYS 17 HA CYS 17 2.729 -6.796 -12.744 129 1HB CYS 17 2HB CYS 17 3.014 -5.561 -14.776 130 2HB CYS 17 3HB CYS 17 1.747 -6.751 -15.081 131 H ALA 18 H ALA 18 3.982 -4.751 -12.830 132 HA ALA 18 HA ALA 18 3.639 -3.261 -10.508 133 1HB ALA 18 1HB ALA 18 5.190 -2.555 -13.030 134 2HB ALA 18 2HB ALA 18 5.403 -1.790 -11.444 135 3HB ALA 18 3HB ALA 18 5.784 -3.512 -11.654 136 H ALA 19 H ALA 19 2.497 -2.532 -13.813 137 HA ALA 19 HA ALA 19 1.853 0.207 -13.314 138 1HB ALA 19 1HB ALA 19 0.499 0.074 -15.331 139 2HB ALA 19 2HB ALA 19 2.049 -0.750 -15.580 140 3HB ALA 19 3HB ALA 19 0.567 -1.696 -15.313 141 H CYS 20 H CYS 20 -0.099 -2.829 -12.977 142 HA CYS 20 HA CYS 20 -2.423 -1.402 -12.009 143 1HB CYS 20 2HB CYS 20 -1.611 -4.335 -11.659 144 2HB CYS 20 3HB CYS 20 -3.213 -3.642 -11.356 145 H ALA 21 H ALA 21 0.323 -3.106 -10.466 146 HA ALA 21 HA ALA 21 -0.444 -2.653 -7.810 147 1HB ALA 21 1HB ALA 21 1.783 -3.187 -7.207 148 2HB ALA 21 2HB ALA 21 1.441 -4.126 -8.670 149 3HB ALA 21 3HB ALA 21 2.402 -2.643 -8.782 150 H ALA 22 H ALA 22 0.666 -0.246 -10.119 151 HA ALA 22 HA ALA 22 1.361 1.750 -8.135 152 1HB ALA 22 1HB ALA 22 2.064 1.865 -10.530 153 2HB ALA 22 2HB ALA 22 0.364 2.134 -10.981 154 3HB ALA 22 3HB ALA 22 1.204 3.318 -9.968 155 H ARG 23 H ARG 23 -1.600 0.782 -9.936 156 HA ARG 23 HA ARG 23 -3.215 3.007 -9.113 157 1HB ARG 23 2HB ARG 23 -3.767 0.306 -10.341 158 2HB ARG 23 3HB ARG 23 -5.046 1.022 -9.396 159 1HG ARG 23 2HG ARG 23 -5.714 2.084 -11.159 160 2HG ARG 23 3HG ARG 23 -4.366 3.194 -10.977 161 1HD ARG 23 2HD ARG 23 -4.256 0.583 -12.566 162 2HD ARG 23 3HD ARG 23 -4.736 2.145 -13.260 163 HE ARG 23 HE ARG 23 -2.235 2.485 -11.962 164 1HH1 ARG 23 2HH2 ARG 23 -3.485 0.580 -14.620 165 2HH1 ARG 23 1HH2 ARG 23 -2.182 0.899 -15.719 166 1HH2 ARG 23 2HH1 ARG 23 -0.466 2.993 -13.395 167 2HH2 ARG 23 1HH1 ARG 23 -0.424 2.343 -15.003 168 H ILE 24 H ILE 24 -2.690 -0.252 -7.659 169 HA ILE 24 HA ILE 24 -4.592 0.141 -5.624 170 HB ILE 24 HB ILE 24 -3.686 -1.634 -4.374 171 1HG1 ILE 24 2HG1 ILE 24 -1.276 -1.086 -6.007 172 2HG1 ILE 24 3HG1 ILE 24 -1.404 -1.139 -4.237 173 1HG2 ILE 24 1HG2 ILE 24 -3.242 -2.309 -7.306 174 2HG2 ILE 24 2HG2 ILE 24 -3.883 -3.320 -5.995 175 3HG2 ILE 24 3HG2 ILE 24 -4.851 -1.992 -6.622 176 1HD1 ILE 24 1HD1 ILE 24 -0.090 -3.030 -5.182 177 2HD1 ILE 24 2HD1 ILE 24 -1.536 -3.558 -4.283 178 3HD1 ILE 24 3HD1 ILE 24 -1.522 -3.545 -6.069 179 H GLU 25 H GLU 25 -1.023 0.773 -5.215 180 HA GLU 25 HA GLU 25 -1.221 2.103 -2.788 181 1HB GLU 25 2HB GLU 25 0.710 2.064 -5.062 182 2HB GLU 25 3HB GLU 25 0.810 3.485 -4.002 183 1HG GLU 25 2HG GLU 25 2.297 1.619 -3.267 184 2HG GLU 25 3HG GLU 25 1.132 2.102 -2.041 185 H LYS 26 H LYS 26 -1.753 3.542 -6.036 186 HA LYS 26 HA LYS 26 -1.964 6.220 -4.865 187 1HB LYS 26 2HB LYS 26 -2.988 5.252 -7.550 188 2HB LYS 26 3HB LYS 26 -2.781 6.940 -7.058 189 1HG LYS 26 2HG LYS 26 -0.546 4.890 -7.310 190 2HG LYS 26 3HG LYS 26 -0.945 6.090 -8.517 191 1HD LYS 26 2HD LYS 26 -0.193 7.864 -7.175 192 2HD LYS 26 3HD LYS 26 -0.138 6.929 -5.683 193 1HE LYS 26 2HE LYS 26 1.605 6.223 -8.072 194 2HE LYS 26 3HE LYS 26 2.124 7.350 -6.810 195 1HZ LYS 26 1HZ LYS 26 2.023 5.665 -5.195 196 2HZ LYS 26 2HZ LYS 26 1.280 4.592 -6.210 197 3HZ LYS 26 3HZ LYS 26 2.838 5.049 -6.463 198 H GLY 27 H GLY 27 -4.381 3.776 -5.739 199 1HA GLY 27 2HA GLY 27 -6.687 5.272 -4.858 200 2HA GLY 27 3HA GLY 27 -6.563 3.516 -5.013 201 H LEU 28 H LEU 28 -4.183 3.356 -3.210 202 HA LEU 28 HA LEU 28 -5.525 3.180 -0.708 203 1HB LEU 28 2HB LEU 28 -3.265 2.070 -1.702 204 2HB LEU 28 3HB LEU 28 -2.526 3.350 -0.734 205 HG LEU 28 HG LEU 28 -4.410 1.123 0.143 206 1HD1 LEU 28 1HD1 LEU 28 -2.052 0.497 -0.293 207 2HD1 LEU 28 2HD1 LEU 28 -1.521 1.707 0.894 208 3HD1 LEU 28 3HD1 LEU 28 -2.506 0.312 1.403 209 1HD2 LEU 28 1HD2 LEU 28 -3.940 2.064 2.484 210 2HD2 LEU 28 2HD2 LEU 28 -3.312 3.506 1.649 211 3HD2 LEU 28 3HD2 LEU 28 -5.011 3.037 1.483 212 H LYS 29 H LYS 29 -3.138 5.542 -2.019 213 HA LYS 29 HA LYS 29 -3.072 7.356 0.123 214 1HB LYS 29 2HB LYS 29 -1.674 7.504 -1.962 215 2HB LYS 29 3HB LYS 29 -3.102 8.120 -2.811 216 1HG LYS 29 2HG LYS 29 -3.145 9.914 -0.818 217 2HG LYS 29 3HG LYS 29 -1.498 9.412 -0.601 218 1HD LYS 29 2HD LYS 29 -2.557 10.303 -3.346 219 2HD LYS 29 3HD LYS 29 -2.112 11.482 -2.086 220 1HE LYS 29 2HE LYS 29 0.042 10.590 -1.848 221 2HE LYS 29 3HE LYS 29 -0.194 9.291 -3.042 222 1HZ LYS 29 1HZ LYS 29 -0.137 11.152 -4.642 223 2HZ LYS 29 2HZ LYS 29 0.048 12.221 -3.372 224 3HZ LYS 29 3HZ LYS 29 1.178 11.054 -3.615 225 H ARG 30 H ARG 30 -5.617 6.987 -2.366 226 HA ARG 30 HA ARG 30 -7.060 9.351 -1.662 227 1HB ARG 30 2HB ARG 30 -7.770 6.774 -3.040 228 2HB ARG 30 3HB ARG 30 -9.061 7.857 -2.586 229 1HG ARG 30 2HG ARG 30 -6.706 9.083 -4.007 230 2HG ARG 30 3HG ARG 30 -7.750 8.002 -4.944 231 1HD ARG 30 2HD ARG 30 -9.736 9.253 -4.339 232 2HD ARG 30 3HD ARG 30 -8.785 10.362 -3.316 233 HE ARG 30 HE ARG 30 -7.597 10.513 -5.816 234 1HH1 ARG 30 2HH2 ARG 30 -10.830 11.086 -4.534 235 2HH1 ARG 30 1HH2 ARG 30 -11.283 12.266 -5.723 236 1HH2 ARG 30 2HH1 ARG 30 -8.140 12.126 -7.402 237 2HH2 ARG 30 1HH1 ARG 30 -9.698 12.883 -7.377 238 H MET 31 H MET 31 -6.540 6.639 0.404 239 HA MET 31 HA MET 31 -9.118 6.898 1.731 240 1HB MET 31 2HB MET 31 -8.639 4.982 2.715 241 2HB MET 31 3HB MET 31 -7.419 4.823 1.451 242 1HG MET 31 2HG MET 31 -5.692 5.565 2.977 243 2HG MET 31 3HG MET 31 -6.875 5.762 4.276 244 1HE MET 31 1HE MET 31 -8.029 2.137 5.064 245 2HE MET 31 2HE MET 31 -8.192 3.860 5.500 246 3HE MET 31 3HE MET 31 -8.820 3.244 3.955 247 HA PRO 32 HA PRO 32 -7.830 9.911 4.802 248 1HB PRO 32 2HB PRO 32 -9.163 9.079 7.046 249 2HB PRO 32 3HB PRO 32 -9.979 9.846 5.655 250 1HG PRO 32 2HG PRO 32 -9.700 6.887 6.244 251 2HG PRO 32 3HG PRO 32 -11.184 7.795 5.835 252 1HD PRO 32 2HD PRO 32 -9.800 6.422 3.962 253 2HD PRO 32 3HD PRO 32 -10.526 8.003 3.553 254 H GLY 33 H GLY 33 -5.861 9.899 5.653 255 1HA GLY 33 2HA GLY 33 -4.462 9.362 7.444 256 2HA GLY 33 3HA GLY 33 -4.939 7.665 7.395 257 H VAL 34 H VAL 34 -4.502 7.745 4.241 258 HA VAL 34 HA VAL 34 -1.529 7.489 4.441 259 HB VAL 34 HB VAL 34 -3.427 6.499 2.311 260 1HG1 VAL 34 1HG1 VAL 34 -1.423 5.287 1.512 261 2HG1 VAL 34 2HG1 VAL 34 -1.153 7.029 1.427 262 3HG1 VAL 34 3HG1 VAL 34 -0.428 6.099 2.746 263 1HG2 VAL 34 1HG2 VAL 34 -3.804 5.133 4.202 264 2HG2 VAL 34 2HG2 VAL 34 -2.457 4.289 3.417 265 3HG2 VAL 34 3HG2 VAL 34 -2.163 5.326 4.804 266 H THR 35 H THR 35 -0.313 9.159 3.887 267 HA THR 35 HA THR 35 -1.494 11.301 2.251 268 HB THR 35 HB THR 35 0.825 11.188 4.072 269 HG1 THR 35 1HG THR 35 -0.774 11.652 5.361 270 1HG2 THR 35 1HG2 THR 35 0.898 13.688 3.742 271 2HG2 THR 35 2HG2 THR 35 1.504 12.753 2.365 272 3HG2 THR 35 3HG2 THR 35 -0.127 13.471 2.305 273 H ASP 36 H ASP 36 1.307 8.972 2.023 274 HA ASP 36 HA ASP 36 0.929 9.167 -0.781 275 1HB ASP 36 2HB ASP 36 3.224 10.643 0.267 276 2HB ASP 36 3HB ASP 36 3.786 9.262 -0.671 277 H ALA 37 H ALA 37 2.244 7.615 -1.993 278 HA ALA 37 HA ALA 37 2.906 5.241 -0.475 279 1HB ALA 37 1HB ALA 37 0.390 4.997 -2.155 280 2HB ALA 37 2HB ALA 37 1.027 3.885 -0.914 281 3HB ALA 37 3HB ALA 37 0.306 5.412 -0.436 282 H ASN 38 H ASN 38 4.088 3.707 -1.684 283 HA ASN 38 HA ASN 38 4.647 4.377 -4.522 284 1HB ASN 38 2HB ASN 38 7.189 4.280 -3.342 285 2HB ASN 38 3HB ASN 38 6.373 5.686 -3.995 286 1HD2 ASN 38 1HD2 ASN 38 6.000 3.846 -0.912 287 2HD2 ASN 38 2HD2 ASN 38 6.281 5.256 0.107 288 H VAL 39 H VAL 39 4.510 2.381 -5.349 289 HA VAL 39 HA VAL 39 5.268 0.045 -3.777 290 HB VAL 39 HB VAL 39 3.125 0.267 -5.006 291 1HG1 VAL 39 1HG1 VAL 39 3.655 1.459 -6.968 292 2HG1 VAL 39 2HG1 VAL 39 4.809 0.247 -7.526 293 3HG1 VAL 39 3HG1 VAL 39 3.097 -0.139 -7.449 294 1HG2 VAL 39 1HG2 VAL 39 4.989 -2.030 -5.355 295 2HG2 VAL 39 2HG2 VAL 39 3.542 -1.843 -4.366 296 3HG2 VAL 39 3HG2 VAL 39 3.367 -2.055 -6.103 297 H ASN 40 H ASN 40 7.215 -1.096 -4.135 298 HA ASN 40 HA ASN 40 8.996 -0.146 -6.340 299 1HB ASN 40 2HB ASN 40 9.689 0.676 -4.128 300 2HB ASN 40 3HB ASN 40 9.776 -0.986 -3.524 301 1HD2 ASN 40 1HD2 ASN 40 12.036 0.561 -3.362 302 2HD2 ASN 40 2HD2 ASN 40 13.207 0.029 -4.559 303 H LEU 41 H LEU 41 7.751 -1.821 -7.471 304 HA LEU 41 HA LEU 41 7.993 -4.598 -6.748 305 1HB LEU 41 2HB LEU 41 7.410 -3.440 -9.507 306 2HB LEU 41 3HB LEU 41 7.190 -5.092 -8.963 307 HG LEU 41 HG LEU 41 5.044 -4.145 -8.971 308 1HD1 LEU 41 1HD1 LEU 41 5.505 -5.467 -6.960 309 2HD1 LEU 41 2HD1 LEU 41 5.898 -3.986 -6.067 310 3HD1 LEU 41 3HD1 LEU 41 4.261 -4.232 -6.707 311 1HD2 LEU 41 1HD2 LEU 41 5.877 -1.755 -7.335 312 2HD2 LEU 41 2HD2 LEU 41 5.905 -1.754 -9.104 313 3HD2 LEU 41 3HD2 LEU 41 4.396 -2.031 -8.239 314 H ALA 42 H ALA 42 10.068 -2.340 -8.426 315 HA ALA 42 HA ALA 42 11.820 -4.086 -9.758 316 1HB ALA 42 1HB ALA 42 12.539 -1.575 -8.199 317 2HB ALA 42 2HB ALA 42 13.543 -2.385 -9.405 318 3HB ALA 42 3HB ALA 42 12.008 -1.634 -9.898 319 H THR 43 H THR 43 11.520 -3.418 -6.239 320 HA THR 43 HA THR 43 13.489 -5.621 -5.820 321 HB THR 43 HB THR 43 14.177 -3.373 -5.125 322 HG1 THR 43 1HG THR 43 15.054 -4.284 -3.143 323 1HG2 THR 43 1HG2 THR 43 13.453 -2.434 -3.049 324 2HG2 THR 43 2HG2 THR 43 11.943 -2.846 -3.891 325 3HG2 THR 43 3HG2 THR 43 12.557 -3.896 -2.604 326 H GLU 44 H GLU 44 10.516 -5.704 -6.355 327 HA GLU 44 HA GLU 44 8.564 -6.498 -5.542 328 1HB GLU 44 2HB GLU 44 10.755 -8.413 -4.834 329 2HB GLU 44 3HB GLU 44 9.133 -8.816 -4.283 330 1HG GLU 44 2HG GLU 44 9.577 -8.093 -7.185 331 2HG GLU 44 3HG GLU 44 9.827 -9.733 -6.564 332 H THR 45 H THR 45 9.174 -4.356 -3.903 333 HA THR 45 HA THR 45 7.886 -5.242 -1.368 334 HB THR 45 HB THR 45 10.348 -3.493 -1.768 335 HG1 THR 45 1HG THR 45 9.896 -6.055 -0.636 336 1HG2 THR 45 1HG2 THR 45 10.415 -3.258 0.662 337 2HG2 THR 45 2HG2 THR 45 8.984 -2.485 -0.048 338 3HG2 THR 45 3HG2 THR 45 8.833 -4.057 0.789 339 H VAL 46 H VAL 46 6.457 -3.683 -0.519 340 HA VAL 46 HA VAL 46 5.894 -1.317 -2.250 341 HB VAL 46 HB VAL 46 4.083 -2.853 -2.399 342 1HG1 VAL 46 1HG1 VAL 46 3.992 -2.883 0.654 343 2HG1 VAL 46 2HG1 VAL 46 2.741 -3.533 -0.414 344 3HG1 VAL 46 3HG1 VAL 46 4.345 -4.260 -0.418 345 1HG2 VAL 46 1HG2 VAL 46 2.241 -1.544 -1.592 346 2HG2 VAL 46 2HG2 VAL 46 3.270 -0.649 -0.466 347 3HG2 VAL 46 3HG2 VAL 46 3.498 -0.460 -2.221 348 H ASN 47 H ASN 47 5.615 0.746 -1.214 349 HA ASN 47 HA ASN 47 6.178 0.761 1.692 350 1HB ASN 47 2HB ASN 47 7.422 2.451 -0.525 351 2HB ASN 47 3HB ASN 47 7.447 2.916 1.181 352 1HD2 ASN 47 1HD2 ASN 47 8.433 1.261 2.711 353 2HD2 ASN 47 2HD2 ASN 47 9.899 0.492 2.106 354 H VAL 48 H VAL 48 4.915 2.325 2.813 355 HA VAL 48 HA VAL 48 2.993 3.883 1.194 356 HB VAL 48 HB VAL 48 2.165 2.057 3.474 357 1HG1 VAL 48 1HG1 VAL 48 0.499 3.830 1.695 358 2HG1 VAL 48 2HG1 VAL 48 -0.043 2.806 3.048 359 3HG1 VAL 48 3HG1 VAL 48 0.979 4.214 3.367 360 1HG2 VAL 48 1HG2 VAL 48 1.558 1.855 0.504 361 2HG2 VAL 48 2HG2 VAL 48 2.544 0.720 1.446 362 3HG2 VAL 48 3HG2 VAL 48 0.821 0.881 1.790 363 H ILE 49 H ILE 49 3.001 5.922 1.937 364 HA ILE 49 HA ILE 49 4.634 6.503 4.319 365 HB ILE 49 HB ILE 49 3.896 8.396 2.049 366 1HG1 ILE 49 2HG1 ILE 49 5.104 6.683 0.956 367 2HG1 ILE 49 3HG1 ILE 49 6.144 8.087 1.150 368 1HG2 ILE 49 1HG2 ILE 49 5.985 8.528 4.255 369 2HG2 ILE 49 2HG2 ILE 49 5.831 9.681 2.912 370 3HG2 ILE 49 3HG2 ILE 49 4.530 9.521 4.095 371 1HD1 ILE 49 1HD1 ILE 49 6.271 5.511 2.777 372 2HD1 ILE 49 2HD1 ILE 49 7.457 6.110 1.607 373 3HD1 ILE 49 3HD1 ILE 49 7.228 6.968 3.133 374 H TYR 50 H TYR 50 3.042 6.419 5.939 375 HA TYR 50 HA TYR 50 0.479 7.924 5.443 376 1HB TYR 50 2HB TYR 50 -0.771 6.264 6.447 377 2HB TYR 50 3HB TYR 50 0.099 5.582 5.118 378 HD1 TYR 50 HD1 TYR 50 0.892 3.384 5.463 379 HD2 TYR 50 HD2 TYR 50 0.305 5.931 8.883 380 HE1 TYR 50 HE1 TYR 50 1.090 1.453 6.983 381 HE2 TYR 50 HE2 TYR 50 0.901 4.091 10.374 382 HH TYR 50 HH TYR 50 1.648 1.848 10.437 383 H ASP 51 H ASP 51 -0.697 8.294 7.436 384 HA ASP 51 HA ASP 51 1.199 9.474 9.378 385 1HB ASP 51 2HB ASP 51 -1.741 10.003 8.972 386 2HB ASP 51 3HB ASP 51 -0.597 10.840 10.048 387 HA PRO 52 HA PRO 52 -0.071 5.868 11.821 388 1HB PRO 52 2HB PRO 52 1.754 5.920 13.833 389 2HB PRO 52 3HB PRO 52 2.166 5.457 12.159 390 1HG PRO 52 2HG PRO 52 2.437 8.206 13.411 391 2HG PRO 52 3HG PRO 52 3.710 7.261 12.589 392 1HD PRO 52 2HD PRO 52 2.291 9.118 11.286 393 2HD PRO 52 3HD PRO 52 2.658 7.581 10.450 394 H ALA 53 H ALA 53 -0.868 9.005 12.406 395 HA ALA 53 HA ALA 53 -1.880 8.675 15.158 396 1HB ALA 53 1HB ALA 53 -2.149 10.898 13.086 397 2HB ALA 53 2HB ALA 53 -2.767 10.939 14.751 398 3HB ALA 53 3HB ALA 53 -1.016 10.884 14.459 399 H GLU 54 H GLU 54 -2.638 8.103 11.786 400 HA GLU 54 HA GLU 54 -5.511 7.899 12.405 401 1HB GLU 54 2HB GLU 54 -4.678 9.896 11.044 402 2HB GLU 54 3HB GLU 54 -4.373 8.763 9.726 403 1HG GLU 54 2HG GLU 54 -6.783 8.161 9.707 404 2HG GLU 54 3HG GLU 54 -7.053 9.158 11.150 405 H THR 55 H THR 55 -2.968 6.779 10.115 406 HA THR 55 HA THR 55 -4.185 4.094 10.104 407 HB THR 55 HB THR 55 -2.189 3.794 8.259 408 HG1 THR 55 1HG THR 55 -3.119 6.421 7.999 409 1HG2 THR 55 1HG2 THR 55 -5.032 4.870 7.955 410 2HG2 THR 55 2HG2 THR 55 -4.005 4.301 6.608 411 3HG2 THR 55 3HG2 THR 55 -4.417 3.184 7.930 412 H GLY 56 H GLY 56 -1.975 2.572 9.766 413 1HA GLY 56 2HA GLY 56 -0.227 2.052 11.719 414 2HA GLY 56 3HA GLY 56 -1.710 2.300 12.658 415 H THR 57 H THR 57 -0.379 0.659 10.110 416 HA THR 57 HA THR 57 -0.987 -0.293 8.310 417 HB THR 57 HB THR 57 -0.337 -2.671 8.533 418 HG1 THR 57 1HG THR 57 -0.602 -2.160 11.316 419 1HG2 THR 57 1HG2 THR 57 1.234 -0.884 10.480 420 2HG2 THR 57 2HG2 THR 57 1.778 -2.404 9.811 421 3HG2 THR 57 3HG2 THR 57 1.504 -1.018 8.728 422 H ALA 58 H ALA 58 -3.154 -1.250 10.844 423 HA ALA 58 HA ALA 58 -5.117 -2.804 9.981 424 1HB ALA 58 1HB ALA 58 -6.614 -1.157 11.145 425 2HB ALA 58 2HB ALA 58 -5.072 -1.391 12.014 426 3HB ALA 58 3HB ALA 58 -5.304 0.048 11.020 427 H ALA 59 H ALA 59 -4.834 0.568 8.809 428 HA ALA 59 HA ALA 59 -7.368 0.085 7.365 429 1HB ALA 59 1HB ALA 59 -6.427 2.374 8.504 430 2HB ALA 59 2HB ALA 59 -6.131 2.648 6.756 431 3HB ALA 59 3HB ALA 59 -7.742 2.242 7.349 432 H ILE 60 H ILE 60 -3.946 0.197 6.740 433 HA ILE 60 HA ILE 60 -4.017 0.282 3.899 434 HB ILE 60 HB ILE 60 -2.007 -0.384 6.042 435 1HG1 ILE 60 2HG1 ILE 60 -0.655 1.080 4.516 436 2HG1 ILE 60 3HG1 ILE 60 -2.091 1.209 3.479 437 1HG2 ILE 60 1HG2 ILE 60 -0.334 -1.156 4.503 438 2HG2 ILE 60 2HG2 ILE 60 -1.634 -2.330 4.609 439 3HG2 ILE 60 3HG2 ILE 60 -1.527 -1.267 3.183 440 1HD1 ILE 60 1HD1 ILE 60 -3.273 2.407 5.264 441 2HD1 ILE 60 2HD1 ILE 60 -2.041 1.940 6.465 442 3HD1 ILE 60 3HD1 ILE 60 -1.640 3.103 5.202 443 H GLN 61 H GLN 61 -3.914 -2.533 6.180 444 HA GLN 61 HA GLN 61 -3.992 -4.422 4.041 445 1HB GLN 61 2HB GLN 61 -4.259 -4.513 6.931 446 2HB GLN 61 3HB GLN 61 -5.474 -5.530 6.142 447 1HG GLN 61 2HG GLN 61 -3.864 -7.074 6.344 448 2HG GLN 61 3HG GLN 61 -3.446 -6.474 4.743 449 1HE2 GLN 61 1HE2 GLN 61 -2.152 -4.016 5.544 450 2HE2 GLN 61 2HE2 GLN 61 -0.683 -4.464 6.404 451 H GLU 62 H GLU 62 -6.652 -2.877 5.889 452 HA GLU 62 HA GLU 62 -8.813 -4.114 4.622 453 1HB GLU 62 2HB GLU 62 -8.356 -1.759 6.298 454 2HB GLU 62 3HB GLU 62 -9.519 -1.349 5.039 455 1HG GLU 62 2HG GLU 62 -9.805 -3.835 6.773 456 2HG GLU 62 3HG GLU 62 -10.494 -2.262 7.188 457 H LYS 63 H LYS 63 -7.145 -1.075 3.583 458 HA LYS 63 HA LYS 63 -8.762 -0.869 1.254 459 1HB LYS 63 2HB LYS 63 -6.496 0.591 2.452 460 2HB LYS 63 3HB LYS 63 -6.446 0.530 0.710 461 1HG LYS 63 2HG LYS 63 -8.849 1.403 2.340 462 2HG LYS 63 3HG LYS 63 -7.678 2.495 1.580 463 1HD LYS 63 2HD LYS 63 -8.778 2.460 -0.378 464 2HD LYS 63 3HD LYS 63 -8.529 0.730 -0.490 465 1HE LYS 63 2HE LYS 63 -10.875 1.052 -0.679 466 2HE LYS 63 3HE LYS 63 -10.611 0.371 0.929 467 1HZ LYS 63 1HZ LYS 63 -12.145 2.164 1.016 468 2HZ LYS 63 2HZ LYS 63 -10.782 2.609 1.818 469 3HZ LYS 63 3HZ LYS 63 -11.087 3.208 0.314 470 H ILE 64 H ILE 64 -5.620 -2.511 1.821 471 HA ILE 64 HA ILE 64 -4.767 -3.032 -0.756 472 HB ILE 64 HB ILE 64 -4.539 -4.224 1.936 473 1HG1 ILE 64 2HG1 ILE 64 -3.139 -2.329 1.274 474 2HG1 ILE 64 3HG1 ILE 64 -2.236 -3.802 1.616 475 1HG2 ILE 64 1HG2 ILE 64 -3.754 -5.754 -0.502 476 2HG2 ILE 64 2HG2 ILE 64 -3.052 -5.978 1.124 477 3HG2 ILE 64 3HG2 ILE 64 -4.778 -6.236 0.873 478 1HD1 ILE 64 1HD1 ILE 64 -1.222 -2.911 -0.261 479 2HD1 ILE 64 2HD1 ILE 64 -2.260 -4.201 -0.929 480 3HD1 ILE 64 3HD1 ILE 64 -2.745 -2.495 -1.051 481 H GLU 65 H GLU 65 -6.960 -4.927 1.432 482 HA GLU 65 HA GLU 65 -7.832 -6.899 -0.393 483 1HB GLU 65 2HB GLU 65 -9.097 -5.617 2.055 484 2HB GLU 65 3HB GLU 65 -9.944 -6.842 1.115 485 1HG GLU 65 2HG GLU 65 -7.135 -7.540 1.887 486 2HG GLU 65 3HG GLU 65 -8.300 -7.397 3.211 487 H LYS 66 H LYS 66 -9.491 -3.792 0.440 488 HA LYS 66 HA LYS 66 -11.634 -4.154 -1.395 489 1HB LYS 66 2HB LYS 66 -10.449 -1.831 0.071 490 2HB LYS 66 3HB LYS 66 -11.407 -1.454 -1.353 491 1HG LYS 66 2HG LYS 66 -12.870 -1.298 0.421 492 2HG LYS 66 3HG LYS 66 -13.332 -2.755 -0.445 493 1HD LYS 66 2HD LYS 66 -11.561 -2.799 2.055 494 2HD LYS 66 3HD LYS 66 -13.315 -2.704 2.155 495 1HE LYS 66 2HE LYS 66 -13.483 -4.857 0.834 496 2HE LYS 66 3HE LYS 66 -11.722 -4.993 0.937 497 1HZ LYS 66 1HZ LYS 66 -13.582 -4.991 3.203 498 2HZ LYS 66 2HZ LYS 66 -12.592 -6.219 2.708 499 3HZ LYS 66 3HZ LYS 66 -11.975 -4.843 3.364 500 H LEU 67 H LEU 67 -8.427 -2.773 -1.951 501 HA LEU 67 HA LEU 67 -8.891 -1.858 -4.641 502 1HB LEU 67 2HB LEU 67 -6.396 -2.517 -3.062 503 2HB LEU 67 3HB LEU 67 -6.359 -1.841 -4.690 504 HG LEU 67 HG LEU 67 -7.905 -0.451 -2.461 505 1HD1 LEU 67 1HD1 LEU 67 -5.620 -0.726 -1.646 506 2HD1 LEU 67 2HD1 LEU 67 -4.980 -0.162 -3.185 507 3HD1 LEU 67 3HD1 LEU 67 -5.878 0.958 -2.136 508 1HD2 LEU 67 1HD2 LEU 67 -8.455 0.362 -4.672 509 2HD2 LEU 67 2HD2 LEU 67 -7.437 1.552 -3.857 510 3HD2 LEU 67 3HD2 LEU 67 -6.744 0.500 -5.104 511 H GLY 68 H GLY 68 -8.487 -5.018 -3.278 512 1HA GLY 68 2HA GLY 68 -8.885 -6.982 -4.396 513 2HA GLY 68 3HA GLY 68 -8.573 -6.214 -5.957 514 H TYR 69 H TYR 69 -6.376 -6.006 -3.087 515 HA TYR 69 HA TYR 69 -4.433 -7.797 -4.484 516 1HB TYR 69 2HB TYR 69 -4.301 -4.930 -3.907 517 2HB TYR 69 3HB TYR 69 -3.057 -5.782 -3.016 518 HD1 TYR 69 HD1 TYR 69 -4.634 -5.711 -6.431 519 HD2 TYR 69 HD2 TYR 69 -1.043 -6.282 -4.119 520 HE1 TYR 69 HE1 TYR 69 -3.315 -5.624 -8.478 521 HE2 TYR 69 HE2 TYR 69 0.289 -5.997 -6.132 522 HH TYR 69 HH TYR 69 0.267 -5.836 -8.472 523 H HIS 70 H HIS 70 -2.590 -8.311 -2.904 524 HA HIS 70 HA HIS 70 -3.480 -8.440 -0.090 525 1HB HIS 70 2HB HIS 70 -4.063 -10.577 -1.355 526 2HB HIS 70 3HB HIS 70 -2.331 -10.865 -1.514 527 HD1 HIS 70 1HD HIS 70 -1.632 -9.991 1.652 528 HD2 HIS 70 2HD HIS 70 -4.667 -12.552 0.213 529 HE1 HIS 70 1HE HIS 70 -2.293 -11.481 3.570 530 H VAL 71 H VAL 71 -1.854 -7.783 1.176 531 HA VAL 71 HA VAL 71 0.942 -7.739 0.145 532 HB VAL 71 HB VAL 71 -0.713 -5.930 1.853 533 1HG1 VAL 71 1HG1 VAL 71 1.188 -4.797 2.840 534 2HG1 VAL 71 2HG1 VAL 71 1.086 -6.451 3.448 535 3HG1 VAL 71 3HG1 VAL 71 2.287 -6.025 2.211 536 1HG2 VAL 71 1HG2 VAL 71 -0.260 -5.405 -0.496 537 2HG2 VAL 71 2HG2 VAL 71 0.509 -4.212 0.575 538 3HG2 VAL 71 3HG2 VAL 71 1.482 -5.480 -0.194 539 H VAL 72 H VAL 72 2.575 -8.380 1.635 540 HA VAL 72 HA VAL 72 1.696 -10.394 3.648 541 HB VAL 72 HB VAL 72 3.987 -10.541 1.758 542 1HG1 VAL 72 1HG1 VAL 72 3.181 -12.445 3.991 543 2HG1 VAL 72 2HG1 VAL 72 4.379 -12.808 2.734 544 3HG1 VAL 72 3HG1 VAL 72 4.695 -11.515 3.885 545 1HG2 VAL 72 1HG2 VAL 72 1.484 -12.258 2.023 546 2HG2 VAL 72 2HG2 VAL 72 1.837 -11.124 0.700 547 3HG2 VAL 72 3HG2 VAL 72 2.840 -12.569 0.918 548 H ILE 73 H ILE 73 2.901 -10.503 5.457 549 HA ILE 73 HA ILE 73 4.348 -7.994 6.193 550 HB ILE 73 HB ILE 73 2.707 -9.790 7.983 551 1HG1 ILE 73 2HG1 ILE 73 1.180 -8.800 6.372 552 2HG1 ILE 73 3HG1 ILE 73 1.042 -8.037 7.948 553 1HG2 ILE 73 1HG2 ILE 73 4.386 -8.549 9.217 554 2HG2 ILE 73 2HG2 ILE 73 4.021 -7.058 8.349 555 3HG2 ILE 73 3HG2 ILE 73 2.832 -7.754 9.475 556 1HD1 ILE 73 1HD1 ILE 73 2.298 -6.095 7.206 557 2HD1 ILE 73 2HD1 ILE 73 2.525 -6.812 5.592 558 3HD1 ILE 73 3HD1 ILE 73 0.912 -6.376 6.153 559 H GLU 74 H GLU 74 6.321 -9.193 5.298 560 HA GLU 74 HA GLU 74 7.356 -11.251 6.890 561 1HB GLU 74 2HB GLU 74 8.408 -9.590 4.608 562 2HB GLU 74 3HB GLU 74 9.492 -10.542 5.606 563 1HG GLU 74 2HG GLU 74 7.986 -12.567 5.171 564 2HG GLU 74 3HG GLU 74 7.249 -11.605 3.874 565 H GLY 75 H GLY 75 6.921 -8.183 7.646 566 1HA GLY 75 2HA GLY 75 9.429 -7.658 9.141 567 2HA GLY 75 3HA GLY 75 8.010 -6.607 9.059 568 H ARG 76 H ARG 76 6.049 -7.353 10.160 569 HA ARG 76 HA ARG 76 5.078 -7.500 12.156 570 1HB ARG 76 2HB ARG 76 4.802 -9.728 11.260 571 2HB ARG 76 3HB ARG 76 6.318 -10.253 11.992 572 1HG ARG 76 2HG ARG 76 5.384 -10.431 14.095 573 2HG ARG 76 3HG ARG 76 4.355 -9.013 13.878 574 1HD ARG 76 2HD ARG 76 2.793 -10.262 12.489 575 2HD ARG 76 3HD ARG 76 3.762 -11.725 12.599 576 HE ARG 76 HE ARG 76 1.969 -10.536 14.595 577 1HH1 ARG 76 2HH2 ARG 76 4.735 -12.663 14.199 578 2HH1 ARG 76 1HH2 ARG 76 4.467 -13.589 15.644 579 1HH2 ARG 76 2HH1 ARG 76 1.619 -11.651 16.592 580 2HH2 ARG 76 1HH1 ARG 76 2.658 -12.955 17.064 Start of MODEL 18 1 1H MET 1 H1 MET 1 -1.979 17.608 18.709 2 2H MET 1 H2 MET 1 -1.149 18.049 20.051 3 3H MET 1 H3 MET 1 -0.799 18.782 18.615 4 HA MET 1 HA MET 1 0.812 17.122 19.371 5 1HB MET 1 2HB MET 1 0.237 14.755 19.005 6 2HB MET 1 3HB MET 1 -0.653 15.490 20.341 7 1HG MET 1 2HG MET 1 -1.799 15.097 17.546 8 2HG MET 1 3HG MET 1 -2.007 13.962 18.875 9 1HE MET 1 1HE MET 1 -5.541 15.689 18.338 10 2HE MET 1 2HE MET 1 -4.320 15.492 17.058 11 3HE MET 1 3HE MET 1 -4.632 14.168 18.208 12 H LEU 2 H LEU 2 -1.342 17.661 16.604 13 HA LEU 2 HA LEU 2 -0.964 17.704 14.429 14 1HB LEU 2 2HB LEU 2 1.782 18.216 15.446 15 2HB LEU 2 3HB LEU 2 1.793 17.413 13.901 16 HG LEU 2 HG LEU 2 1.922 19.832 13.750 17 1HD1 LEU 2 1HD1 LEU 2 0.976 18.561 11.867 18 2HD1 LEU 2 2HD1 LEU 2 -0.664 18.796 12.508 19 3HD1 LEU 2 3HD1 LEU 2 0.293 20.191 11.988 20 1HD2 LEU 2 1HD2 LEU 2 -0.930 19.956 14.817 21 2HD2 LEU 2 2HD2 LEU 2 0.532 20.390 15.731 22 3HD2 LEU 2 3HD2 LEU 2 0.085 21.305 14.279 23 H SER 3 H SER 3 0.460 16.332 12.650 24 HA SER 3 HA SER 3 -0.246 13.491 13.219 25 1HB SER 3 2HB SER 3 -0.148 14.934 10.537 26 2HB SER 3 3HB SER 3 -0.938 13.410 10.930 27 HG SER 3 HG SER 3 -2.192 14.782 12.477 28 H GLU 4 H GLU 4 1.612 12.237 13.340 29 HA GLU 4 HA GLU 4 4.157 13.165 12.242 30 1HB GLU 4 2HB GLU 4 3.244 10.898 13.888 31 2HB GLU 4 3HB GLU 4 4.441 10.460 12.696 32 1HG GLU 4 2HG GLU 4 5.708 12.528 13.629 33 2HG GLU 4 3HG GLU 4 4.642 12.306 15.012 34 H GLN 5 H GLN 5 5.300 11.411 10.794 35 HA GLN 5 HA GLN 5 3.461 10.018 8.973 36 1HB GLN 5 2HB GLN 5 5.928 11.626 8.268 37 2HB GLN 5 3HB GLN 5 5.197 10.508 7.133 38 1HG GLN 5 2HG GLN 5 3.547 12.778 8.367 39 2HG GLN 5 3HG GLN 5 4.662 13.070 7.056 40 1HE2 GLN 5 1HE2 GLN 5 3.193 9.882 6.927 41 2HE2 GLN 5 2HE2 GLN 5 2.048 10.292 5.670 42 H LYS 6 H LYS 6 4.304 7.952 8.499 43 HA LYS 6 HA LYS 6 7.104 7.414 9.023 44 1HB LYS 6 2HB LYS 6 4.909 5.760 10.260 45 2HB LYS 6 3HB LYS 6 6.521 5.113 9.989 46 1HG LYS 6 2HG LYS 6 6.031 7.622 11.634 47 2HG LYS 6 3HG LYS 6 6.107 6.006 12.322 48 1HD LYS 6 2HD LYS 6 8.362 5.817 12.134 49 2HD LYS 6 3HD LYS 6 8.422 6.570 10.555 50 1HE LYS 6 2HE LYS 6 9.672 7.866 12.197 51 2HE LYS 6 3HE LYS 6 8.379 8.803 11.457 52 1HZ LYS 6 1HZ LYS 6 8.531 9.127 13.861 53 2HZ LYS 6 2HZ LYS 6 7.082 8.595 13.455 54 3HZ LYS 6 3HZ LYS 6 8.154 7.551 14.129 55 H GLU 7 H GLU 7 7.830 5.531 7.945 56 HA GLU 7 HA GLU 7 6.404 4.996 5.387 57 1HB GLU 7 2HB GLU 7 9.420 4.897 5.715 58 2HB GLU 7 3HB GLU 7 8.432 5.048 4.267 59 1HG GLU 7 2HG GLU 7 9.286 7.175 4.487 60 2HG GLU 7 3HG GLU 7 7.765 7.395 5.373 61 H ILE 8 H ILE 8 5.508 2.904 5.796 62 HA ILE 8 HA ILE 8 7.091 0.907 7.215 63 HB ILE 8 HB ILE 8 4.550 0.514 5.752 64 1HG1 ILE 8 2HG1 ILE 8 3.912 2.491 6.869 65 2HG1 ILE 8 3HG1 ILE 8 3.155 1.076 7.603 66 1HG2 ILE 8 1HG2 ILE 8 5.753 -0.600 8.257 67 2HG2 ILE 8 2HG2 ILE 8 4.115 -1.019 7.671 68 3HG2 ILE 8 3HG2 ILE 8 5.543 -1.437 6.701 69 1HD1 ILE 8 1HD1 ILE 8 4.728 1.048 9.388 70 2HD1 ILE 8 2HD1 ILE 8 5.664 2.363 8.639 71 3HD1 ILE 8 3HD1 ILE 8 4.016 2.682 9.262 72 H ALA 9 H ALA 9 7.576 -1.250 6.037 73 HA ALA 9 HA ALA 9 7.718 -0.978 3.074 74 1HB ALA 9 1HB ALA 9 9.967 -2.008 4.828 75 2HB ALA 9 2HB ALA 9 9.971 -1.839 3.064 76 3HB ALA 9 3HB ALA 9 9.935 -0.398 4.111 77 H MET 10 H MET 10 6.623 -2.687 2.199 78 HA MET 10 HA MET 10 6.629 -5.332 3.613 79 1HB MET 10 2HB MET 10 4.221 -3.708 2.726 80 2HB MET 10 3HB MET 10 4.154 -5.428 3.110 81 1HG MET 10 2HG MET 10 4.781 -5.093 5.370 82 2HG MET 10 3HG MET 10 5.168 -3.394 5.120 83 1HE MET 10 1HE MET 10 2.703 -2.190 3.482 84 2HE MET 10 2HE MET 10 1.770 -1.624 4.882 85 3HE MET 10 3HE MET 10 3.542 -1.473 4.877 86 H GLN 11 H GLN 11 5.351 -6.932 2.102 87 HA GLN 11 HA GLN 11 6.424 -6.697 -0.682 88 1HB GLN 11 2HB GLN 11 6.534 -8.809 1.320 89 2HB GLN 11 3HB GLN 11 5.584 -9.374 -0.048 90 1HG GLN 11 2HG GLN 11 8.295 -8.104 -0.521 91 2HG GLN 11 3HG GLN 11 8.133 -9.787 -0.007 92 1HE2 GLN 11 1HE2 GLN 11 7.424 -7.582 -2.658 93 2HE2 GLN 11 2HE2 GLN 11 6.745 -8.794 -3.747 94 H VAL 12 H VAL 12 4.948 -7.883 -2.322 95 HA VAL 12 HA VAL 12 2.065 -7.769 -1.556 96 HB VAL 12 HB VAL 12 1.717 -7.061 -3.978 97 1HG1 VAL 12 1HG1 VAL 12 1.968 -4.644 -3.449 98 2HG1 VAL 12 2HG1 VAL 12 1.196 -5.557 -2.138 99 3HG1 VAL 12 3HG1 VAL 12 2.904 -5.089 -2.010 100 1HG2 VAL 12 1HG2 VAL 12 4.144 -7.411 -4.654 101 2HG2 VAL 12 2HG2 VAL 12 3.396 -5.874 -5.124 102 3HG2 VAL 12 3HG2 VAL 12 4.516 -5.927 -3.739 103 H SER 13 H SER 13 0.691 -9.151 -2.644 104 HA SER 13 HA SER 13 1.946 -11.393 -4.193 105 1HB SER 13 2HB SER 13 -0.389 -11.397 -2.235 106 2HB SER 13 3HB SER 13 0.128 -12.795 -3.201 107 HG SER 13 HG SER 13 1.034 -12.726 -1.047 108 H GLY 14 H GLY 14 0.134 -12.529 -5.541 109 1HA GLY 14 2HA GLY 14 -1.726 -12.540 -6.882 110 2HA GLY 14 3HA GLY 14 -2.209 -10.965 -6.247 111 H MET 15 H MET 15 -0.045 -9.406 -6.910 112 HA MET 15 HA MET 15 -0.546 -8.355 -9.304 113 1HB MET 15 2HB MET 15 1.582 -7.212 -9.164 114 2HB MET 15 3HB MET 15 0.919 -7.480 -7.554 115 1HG MET 15 2HG MET 15 3.035 -8.026 -7.101 116 2HG MET 15 3HG MET 15 2.448 -9.628 -7.544 117 1HE MET 15 1HE MET 15 4.927 -10.459 -7.781 118 2HE MET 15 2HE MET 15 6.176 -9.593 -8.707 119 3HE MET 15 3HE MET 15 5.467 -8.846 -7.257 120 H THR 16 H THR 16 0.000 -8.470 -11.412 121 HA THR 16 HA THR 16 2.011 -10.335 -12.402 122 HB THR 16 HB THR 16 0.006 -11.074 -14.119 123 HG1 THR 16 1HG THR 16 -1.086 -11.104 -11.494 124 1HG2 THR 16 1HG2 THR 16 0.002 -13.230 -12.937 125 2HG2 THR 16 2HG2 THR 16 1.644 -12.591 -13.095 126 3HG2 THR 16 3HG2 THR 16 0.807 -12.505 -11.533 127 H CYS 17 H CYS 17 -0.455 -7.822 -13.409 128 HA CYS 17 HA CYS 17 1.007 -7.552 -15.926 129 1HB CYS 17 2HB CYS 17 -0.470 -5.787 -16.487 130 2HB CYS 17 3HB CYS 17 -1.412 -7.149 -15.857 131 H ALA 18 H ALA 18 1.786 -6.612 -12.828 132 HA ALA 18 HA ALA 18 3.371 -5.287 -11.946 133 1HB ALA 18 1HB ALA 18 5.371 -4.897 -13.263 134 2HB ALA 18 2HB ALA 18 4.724 -6.505 -13.641 135 3HB ALA 18 3HB ALA 18 4.489 -5.161 -14.777 136 H ALA 19 H ALA 19 0.929 -4.025 -12.832 137 HA ALA 19 HA ALA 19 1.868 -1.197 -12.830 138 1HB ALA 19 1HB ALA 19 -0.208 -2.321 -14.755 139 2HB ALA 19 2HB ALA 19 0.239 -0.609 -14.565 140 3HB ALA 19 3HB ALA 19 1.429 -1.775 -15.176 141 H CYS 20 H CYS 20 -0.965 -3.416 -12.493 142 HA CYS 20 HA CYS 20 -2.662 -1.707 -11.097 143 1HB CYS 20 2HB CYS 20 -3.562 -3.871 -10.097 144 2HB CYS 20 3HB CYS 20 -3.423 -3.863 -11.861 145 H ALA 21 H ALA 21 0.161 -3.419 -9.915 146 HA ALA 21 HA ALA 21 -0.011 -3.058 -7.154 147 1HB ALA 21 1HB ALA 21 1.781 -4.271 -8.455 148 2HB ALA 21 2HB ALA 21 2.490 -2.692 -8.854 149 3HB ALA 21 3HB ALA 21 2.392 -3.241 -7.164 150 H ALA 22 H ALA 22 0.628 -0.566 -9.648 151 HA ALA 22 HA ALA 22 1.291 1.509 -7.676 152 1HB ALA 22 1HB ALA 22 2.038 1.637 -10.046 153 2HB ALA 22 2HB ALA 22 0.337 1.737 -10.560 154 3HB ALA 22 3HB ALA 22 1.040 3.026 -9.561 155 H ARG 23 H ARG 23 -1.594 0.408 -9.476 156 HA ARG 23 HA ARG 23 -3.250 2.608 -8.798 157 1HB ARG 23 2HB ARG 23 -3.989 -0.276 -9.451 158 2HB ARG 23 3HB ARG 23 -5.154 1.037 -9.335 159 1HG ARG 23 2HG ARG 23 -2.762 1.248 -11.206 160 2HG ARG 23 3HG ARG 23 -4.209 0.377 -11.693 161 1HD ARG 23 2HD ARG 23 -4.360 3.221 -10.634 162 2HD ARG 23 3HD ARG 23 -4.016 2.871 -12.337 163 HE ARG 23 HE ARG 23 -6.218 1.354 -11.924 164 1HH1 ARG 23 2HH2 ARG 23 -5.597 4.762 -11.254 165 2HH1 ARG 23 1HH2 ARG 23 -7.196 5.300 -11.660 166 1HH2 ARG 23 2HH1 ARG 23 -8.323 2.045 -12.558 167 2HH2 ARG 23 1HH1 ARG 23 -8.780 3.710 -12.426 168 H ILE 24 H ILE 24 -2.722 -0.519 -7.089 169 HA ILE 24 HA ILE 24 -4.637 0.088 -5.095 170 HB ILE 24 HB ILE 24 -3.809 -1.611 -3.725 171 1HG1 ILE 24 2HG1 ILE 24 -1.326 -1.313 -5.339 172 2HG1 ILE 24 3HG1 ILE 24 -1.545 -1.227 -3.575 173 1HG2 ILE 24 1HG2 ILE 24 -3.377 -2.561 -6.583 174 2HG2 ILE 24 2HG2 ILE 24 -4.075 -3.424 -5.199 175 3HG2 ILE 24 3HG2 ILE 24 -4.975 -2.111 -5.952 176 1HD1 ILE 24 1HD1 ILE 24 -1.990 -3.683 -3.569 177 2HD1 ILE 24 2HD1 ILE 24 -1.607 -3.693 -5.316 178 3HD1 ILE 24 3HD1 ILE 24 -0.360 -3.256 -4.141 179 H GLU 25 H GLU 25 -1.070 0.629 -4.868 180 HA GLU 25 HA GLU 25 -1.092 2.062 -2.474 181 1HB GLU 25 2HB GLU 25 0.714 1.860 -4.848 182 2HB GLU 25 3HB GLU 25 0.921 3.312 -3.858 183 1HG GLU 25 2HG GLU 25 2.375 1.406 -3.156 184 2HG GLU 25 3HG GLU 25 1.339 2.019 -1.868 185 H LYS 26 H LYS 26 -1.800 3.299 -5.728 186 HA LYS 26 HA LYS 26 -1.747 6.084 -4.789 187 1HB LYS 26 2HB LYS 26 -2.753 4.999 -7.432 188 2HB LYS 26 3HB LYS 26 -2.497 6.697 -7.013 189 1HG LYS 26 2HG LYS 26 -0.379 4.553 -7.357 190 2HG LYS 26 3HG LYS 26 -0.677 5.956 -8.370 191 1HD LYS 26 2HD LYS 26 0.100 7.423 -6.464 192 2HD LYS 26 3HD LYS 26 0.323 5.973 -5.474 193 1HE LYS 26 2HE LYS 26 2.476 6.562 -6.252 194 2HE LYS 26 3HE LYS 26 1.985 5.065 -7.049 195 1HZ LYS 26 1HZ LYS 26 1.926 7.765 -8.241 196 2HZ LYS 26 2HZ LYS 26 3.008 6.576 -8.577 197 3HZ LYS 26 3HZ LYS 26 1.434 6.388 -9.003 198 H GLY 27 H GLY 27 -4.316 3.672 -5.461 199 1HA GLY 27 2HA GLY 27 -6.490 5.449 -4.766 200 2HA GLY 27 3HA GLY 27 -6.520 3.686 -4.681 201 H LEU 28 H LEU 28 -4.336 3.233 -2.916 202 HA LEU 28 HA LEU 28 -5.630 3.586 -0.420 203 1HB LEU 28 2HB LEU 28 -4.209 1.746 -0.918 204 2HB LEU 28 3HB LEU 28 -2.800 2.777 -1.117 205 HG LEU 28 HG LEU 28 -3.090 1.379 1.019 206 1HD1 LEU 28 1HD1 LEU 28 -1.991 3.231 2.358 207 2HD1 LEU 28 2HD1 LEU 28 -1.297 2.890 0.757 208 3HD1 LEU 28 3HD1 LEU 28 -2.340 4.295 0.993 209 1HD2 LEU 28 1HD2 LEU 28 -5.400 2.013 1.583 210 2HD2 LEU 28 2HD2 LEU 28 -4.279 2.446 2.883 211 3HD2 LEU 28 3HD2 LEU 28 -4.895 3.695 1.842 212 H LYS 29 H LYS 29 -3.067 5.446 -2.064 213 HA LYS 29 HA LYS 29 -2.512 7.325 -0.081 214 1HB LYS 29 2HB LYS 29 -1.556 6.917 -2.532 215 2HB LYS 29 3HB LYS 29 -2.729 8.173 -2.959 216 1HG LYS 29 2HG LYS 29 -1.558 9.418 -0.878 217 2HG LYS 29 3HG LYS 29 -0.310 8.215 -1.201 218 1HD LYS 29 2HD LYS 29 0.414 9.963 -2.682 219 2HD LYS 29 3HD LYS 29 -0.607 9.011 -3.736 220 1HE LYS 29 2HE LYS 29 -1.277 11.270 -4.031 221 2HE LYS 29 3HE LYS 29 -2.541 10.556 -3.005 222 1HZ LYS 29 1HZ LYS 29 -1.171 11.500 -1.097 223 2HZ LYS 29 2HZ LYS 29 -0.315 12.317 -2.182 224 3HZ LYS 29 3HZ LYS 29 -1.937 12.618 -2.039 225 H ARG 30 H ARG 30 -5.514 6.976 -1.821 226 HA ARG 30 HA ARG 30 -6.387 9.762 -1.364 227 1HB ARG 30 2HB ARG 30 -7.260 7.452 -2.991 228 2HB ARG 30 3HB ARG 30 -8.594 8.235 -2.189 229 1HG ARG 30 2HG ARG 30 -7.835 10.410 -3.181 230 2HG ARG 30 3HG ARG 30 -6.477 9.546 -3.943 231 1HD ARG 30 2HD ARG 30 -8.160 8.017 -5.054 232 2HD ARG 30 3HD ARG 30 -9.461 9.040 -4.467 233 HE ARG 30 HE ARG 30 -7.625 9.471 -6.683 234 1HH1 ARG 30 2HH2 ARG 30 -9.610 11.186 -4.340 235 2HH1 ARG 30 1HH2 ARG 30 -9.830 12.614 -5.305 236 1HH2 ARG 30 2HH1 ARG 30 -7.855 11.349 -8.000 237 2HH2 ARG 30 1HH1 ARG 30 -8.780 12.704 -7.444 238 H MET 31 H MET 31 -6.055 7.055 0.640 239 HA MET 31 HA MET 31 -8.672 7.291 1.939 240 1HB MET 31 2HB MET 31 -6.225 5.638 2.674 241 2HB MET 31 3HB MET 31 -7.862 5.380 3.272 242 1HG MET 31 2HG MET 31 -7.019 5.142 0.357 243 2HG MET 31 3HG MET 31 -7.229 3.817 1.467 244 1HE MET 31 1HE MET 31 -8.569 4.416 -1.572 245 2HE MET 31 2HE MET 31 -8.370 2.921 -0.631 246 3HE MET 31 3HE MET 31 -9.986 3.424 -1.228 247 HA PRO 32 HA PRO 32 -7.388 10.169 5.053 248 1HB PRO 32 2HB PRO 32 -8.437 9.116 7.404 249 2HB PRO 32 3HB PRO 32 -9.384 9.986 6.165 250 1HG PRO 32 2HG PRO 32 -9.036 6.999 6.472 251 2HG PRO 32 3HG PRO 32 -10.563 7.904 6.238 252 1HD PRO 32 2HD PRO 32 -9.357 6.717 4.157 253 2HD PRO 32 3HD PRO 32 -10.019 8.358 3.943 254 H GLY 33 H GLY 33 -5.722 10.461 6.567 255 1HA GLY 33 2HA GLY 33 -3.993 9.929 7.955 256 2HA GLY 33 3HA GLY 33 -4.395 8.204 7.813 257 H VAL 34 H VAL 34 -4.215 8.249 4.813 258 HA VAL 34 HA VAL 34 -1.290 7.976 4.683 259 HB VAL 34 HB VAL 34 -3.298 7.492 2.470 260 1HG1 VAL 34 1HG1 VAL 34 -0.920 7.738 1.761 261 2HG1 VAL 34 2HG1 VAL 34 -0.412 6.577 3.001 262 3HG1 VAL 34 3HG1 VAL 34 -1.395 6.057 1.634 263 1HG2 VAL 34 1HG2 VAL 34 -3.926 6.070 4.371 264 2HG2 VAL 34 2HG2 VAL 34 -3.144 5.098 3.135 265 3HG2 VAL 34 3HG2 VAL 34 -2.237 5.568 4.589 266 H THR 35 H THR 35 0.083 9.309 3.578 267 HA THR 35 HA THR 35 -1.134 11.709 2.257 268 HB THR 35 HB THR 35 0.971 11.442 4.258 269 HG1 THR 35 1HG THR 35 -0.522 13.639 3.290 270 1HG2 THR 35 1HG2 THR 35 2.528 11.943 2.519 271 2HG2 THR 35 2HG2 THR 35 1.472 13.211 1.834 272 3HG2 THR 35 3HG2 THR 35 2.223 13.425 3.430 273 H ASP 36 H ASP 36 1.614 9.288 2.041 274 HA ASP 36 HA ASP 36 1.344 9.538 -0.841 275 1HB ASP 36 2HB ASP 36 3.714 10.564 0.628 276 2HB ASP 36 3HB ASP 36 4.048 9.504 -0.745 277 H ALA 37 H ALA 37 2.468 7.851 -1.972 278 HA ALA 37 HA ALA 37 3.229 5.495 -0.441 279 1HB ALA 37 1HB ALA 37 0.687 5.330 -2.117 280 2HB ALA 37 2HB ALA 37 1.420 4.051 -1.119 281 3HB ALA 37 3HB ALA 37 0.696 5.462 -0.345 282 H ASN 38 H ASN 38 4.211 3.825 -1.721 283 HA ASN 38 HA ASN 38 4.868 4.517 -4.511 284 1HB ASN 38 2HB ASN 38 7.390 4.237 -3.218 285 2HB ASN 38 3HB ASN 38 6.736 5.621 -4.071 286 1HD2 ASN 38 1HD2 ASN 38 6.032 4.185 -0.792 287 2HD2 ASN 38 2HD2 ASN 38 6.415 5.686 0.046 288 H VAL 39 H VAL 39 4.878 2.616 -5.526 289 HA VAL 39 HA VAL 39 5.227 0.152 -3.985 290 HB VAL 39 HB VAL 39 3.230 0.606 -5.289 291 1HG1 VAL 39 1HG1 VAL 39 4.874 0.222 -7.834 292 2HG1 VAL 39 2HG1 VAL 39 3.144 0.339 -7.691 293 3HG1 VAL 39 3HG1 VAL 39 4.141 1.750 -7.297 294 1HG2 VAL 39 1HG2 VAL 39 4.269 -1.732 -4.783 295 2HG2 VAL 39 2HG2 VAL 39 2.870 -1.554 -5.829 296 3HG2 VAL 39 3HG2 VAL 39 4.468 -1.782 -6.561 297 H ASN 40 H ASN 40 7.410 -0.283 -3.701 298 HA ASN 40 HA ASN 40 9.314 0.295 -5.864 299 1HB ASN 40 2HB ASN 40 9.760 0.803 -3.458 300 2HB ASN 40 3HB ASN 40 9.783 -0.937 -3.124 301 1HD2 ASN 40 1HD2 ASN 40 12.028 0.056 -2.366 302 2HD2 ASN 40 2HD2 ASN 40 13.311 -0.067 -3.558 303 H LEU 41 H LEU 41 7.710 -1.374 -6.980 304 HA LEU 41 HA LEU 41 8.190 -4.176 -6.468 305 1HB LEU 41 2HB LEU 41 6.592 -2.529 -8.340 306 2HB LEU 41 3HB LEU 41 7.148 -4.028 -9.057 307 HG LEU 41 HG LEU 41 4.893 -3.994 -7.898 308 1HD1 LEU 41 1HD1 LEU 41 6.903 -6.183 -7.248 309 2HD1 LEU 41 2HD1 LEU 41 5.136 -6.341 -7.166 310 3HD1 LEU 41 3HD1 LEU 41 5.926 -6.036 -8.722 311 1HD2 LEU 41 1HD2 LEU 41 6.056 -3.033 -5.676 312 2HD2 LEU 41 2HD2 LEU 41 4.673 -4.124 -5.601 313 3HD2 LEU 41 3HD2 LEU 41 6.309 -4.747 -5.339 314 H ALA 42 H ALA 42 9.923 -1.807 -8.253 315 HA ALA 42 HA ALA 42 11.562 -3.253 -9.976 316 1HB ALA 42 1HB ALA 42 11.738 -0.801 -9.548 317 2HB ALA 42 2HB ALA 42 12.400 -1.166 -7.927 318 3HB ALA 42 3HB ALA 42 13.306 -1.635 -9.375 319 H THR 43 H THR 43 11.529 -3.261 -6.390 320 HA THR 43 HA THR 43 13.260 -5.639 -6.531 321 HB THR 43 HB THR 43 14.780 -3.864 -5.984 322 HG1 THR 43 1HG THR 43 14.896 -5.898 -4.852 323 1HG2 THR 43 1HG2 THR 43 13.791 -2.039 -5.067 324 2HG2 THR 43 2HG2 THR 43 12.653 -2.971 -4.091 325 3HG2 THR 43 3HG2 THR 43 14.331 -2.798 -3.556 326 H GLU 44 H GLU 44 10.609 -5.724 -6.616 327 HA GLU 44 HA GLU 44 8.634 -6.257 -5.522 328 1HB GLU 44 2HB GLU 44 10.736 -8.253 -4.655 329 2HB GLU 44 3HB GLU 44 9.005 -8.514 -4.472 330 1HG GLU 44 2HG GLU 44 8.905 -9.326 -6.540 331 2HG GLU 44 3HG GLU 44 9.257 -7.719 -7.176 332 H THR 45 H THR 45 9.294 -4.079 -4.073 333 HA THR 45 HA THR 45 8.298 -4.905 -1.413 334 HB THR 45 HB THR 45 9.729 -2.500 -1.128 335 HG1 THR 45 1HG THR 45 11.304 -4.349 -2.563 336 1HG2 THR 45 1HG2 THR 45 9.525 -4.242 0.614 337 2HG2 THR 45 2HG2 THR 45 10.554 -5.333 -0.342 338 3HG2 THR 45 3HG2 THR 45 11.230 -3.840 0.344 339 H VAL 46 H VAL 46 7.117 -3.087 -0.374 340 HA VAL 46 HA VAL 46 6.224 -0.932 -2.197 341 HB VAL 46 HB VAL 46 4.505 -2.555 -2.483 342 1HG1 VAL 46 1HG1 VAL 46 3.190 -3.434 -0.492 343 2HG1 VAL 46 2HG1 VAL 46 4.800 -4.129 -0.711 344 3HG1 VAL 46 3HG1 VAL 46 4.514 -2.894 0.543 345 1HG2 VAL 46 1HG2 VAL 46 2.573 -1.462 -1.576 346 2HG2 VAL 46 2HG2 VAL 46 3.527 -0.579 -0.379 347 3HG2 VAL 46 3HG2 VAL 46 3.746 -0.240 -2.114 348 H ASN 47 H ASN 47 5.894 1.018 -1.129 349 HA ASN 47 HA ASN 47 6.410 1.032 1.793 350 1HB ASN 47 2HB ASN 47 7.659 2.723 -0.421 351 2HB ASN 47 3HB ASN 47 7.618 3.250 1.268 352 1HD2 ASN 47 1HD2 ASN 47 8.442 1.475 2.902 353 2HD2 ASN 47 2HD2 ASN 47 10.012 0.857 2.422 354 H VAL 48 H VAL 48 5.122 2.550 2.912 355 HA VAL 48 HA VAL 48 3.171 4.095 1.315 356 HB VAL 48 HB VAL 48 2.140 1.949 1.660 357 1HG1 VAL 48 1HG1 VAL 48 1.617 1.061 3.897 358 2HG1 VAL 48 2HG1 VAL 48 3.349 1.047 3.552 359 3HG1 VAL 48 3HG1 VAL 48 2.673 2.277 4.633 360 1HG2 VAL 48 1HG2 VAL 48 1.020 4.203 3.354 361 2HG2 VAL 48 2HG2 VAL 48 0.679 3.803 1.675 362 3HG2 VAL 48 3HG2 VAL 48 0.151 2.707 2.972 363 H ILE 49 H ILE 49 3.029 6.090 2.116 364 HA ILE 49 HA ILE 49 4.622 6.667 4.513 365 HB ILE 49 HB ILE 49 3.904 8.601 2.284 366 1HG1 ILE 49 2HG1 ILE 49 5.011 6.935 1.048 367 2HG1 ILE 49 3HG1 ILE 49 6.155 8.233 1.353 368 1HG2 ILE 49 1HG2 ILE 49 5.922 9.776 3.106 369 2HG2 ILE 49 2HG2 ILE 49 4.634 9.656 4.310 370 3HG2 ILE 49 3HG2 ILE 49 6.048 8.600 4.427 371 1HD1 ILE 49 1HD1 ILE 49 6.138 5.441 2.522 372 2HD1 ILE 49 2HD1 ILE 49 7.445 6.320 1.721 373 3HD1 ILE 49 3HD1 ILE 49 6.961 6.768 3.357 374 H TYR 50 H TYR 50 3.126 6.747 6.207 375 HA TYR 50 HA TYR 50 0.693 8.449 5.858 376 1HB TYR 50 2HB TYR 50 -0.735 6.775 6.735 377 2HB TYR 50 3HB TYR 50 0.044 6.173 5.305 378 HD1 TYR 50 HD1 TYR 50 1.439 4.145 5.428 379 HD2 TYR 50 HD2 TYR 50 -0.092 5.923 9.012 380 HE1 TYR 50 HE1 TYR 50 1.306 1.916 6.489 381 HE2 TYR 50 HE2 TYR 50 0.309 3.798 10.217 382 HH TYR 50 HH TYR 50 0.962 0.775 8.487 383 H ASP 51 H ASP 51 -0.453 8.815 7.784 384 HA ASP 51 HA ASP 51 1.324 9.427 10.051 385 1HB ASP 51 2HB ASP 51 -0.197 11.148 9.483 386 2HB ASP 51 3HB ASP 51 -1.575 10.042 9.513 387 HA PRO 52 HA PRO 52 0.008 5.426 11.746 388 1HB PRO 52 2HB PRO 52 1.813 5.130 13.737 389 2HB PRO 52 3HB PRO 52 2.269 5.014 12.012 390 1HG PRO 52 2HG PRO 52 2.469 7.461 13.801 391 2HG PRO 52 3HG PRO 52 3.767 6.736 12.807 392 1HD PRO 52 2HD PRO 52 2.266 8.817 11.926 393 2HD PRO 52 3HD PRO 52 2.775 7.516 10.804 394 H ALA 53 H ALA 53 -0.670 8.521 12.969 395 HA ALA 53 HA ALA 53 -1.866 7.524 15.484 396 1HB ALA 53 1HB ALA 53 -2.594 9.824 15.716 397 2HB ALA 53 2HB ALA 53 -0.858 9.818 15.321 398 3HB ALA 53 3HB ALA 53 -2.062 10.206 14.070 399 H GLU 54 H GLU 54 -2.519 8.082 12.054 400 HA GLU 54 HA GLU 54 -5.413 8.104 12.570 401 1HB GLU 54 2HB GLU 54 -3.973 9.960 11.310 402 2HB GLU 54 3HB GLU 54 -4.259 8.905 9.935 403 1HG GLU 54 2HG GLU 54 -6.389 10.121 11.767 404 2HG GLU 54 3HG GLU 54 -5.919 10.761 10.190 405 H THR 55 H THR 55 -2.998 6.845 10.246 406 HA THR 55 HA THR 55 -4.534 4.334 10.079 407 HB THR 55 HB THR 55 -2.826 3.767 8.130 408 HG1 THR 55 1HG THR 55 -3.236 6.474 7.844 409 1HG2 THR 55 1HG2 THR 55 -5.225 3.792 8.042 410 2HG2 THR 55 2HG2 THR 55 -5.273 5.576 7.952 411 3HG2 THR 55 3HG2 THR 55 -4.545 4.639 6.619 412 H GLY 56 H GLY 56 -2.552 2.576 9.649 413 1HA GLY 56 2HA GLY 56 -0.780 1.838 11.511 414 2HA GLY 56 3HA GLY 56 -2.204 2.215 12.511 415 H THR 57 H THR 57 -1.138 0.562 9.870 416 HA THR 57 HA THR 57 -1.813 -0.327 8.099 417 HB THR 57 HB THR 57 -1.564 -2.808 8.270 418 HG1 THR 57 1HG THR 57 -1.207 -3.616 10.413 419 1HG2 THR 57 1HG2 THR 57 0.688 -2.840 9.224 420 2HG2 THR 57 2HG2 THR 57 0.467 -1.381 8.247 421 3HG2 THR 57 3HG2 THR 57 0.418 -1.286 10.027 422 H ALA 58 H ALA 58 -4.168 -1.007 10.574 423 HA ALA 58 HA ALA 58 -6.286 -2.264 9.653 424 1HB ALA 58 1HB ALA 58 -6.083 0.635 10.530 425 2HB ALA 58 2HB ALA 58 -7.606 -0.305 10.541 426 3HB ALA 58 3HB ALA 58 -6.239 -0.773 11.586 427 H ALA 59 H ALA 59 -5.510 0.994 8.320 428 HA ALA 59 HA ALA 59 -7.966 0.699 6.671 429 1HB ALA 59 1HB ALA 59 -7.658 2.833 5.788 430 2HB ALA 59 2HB ALA 59 -7.226 2.950 7.503 431 3HB ALA 59 3HB ALA 59 -5.954 2.877 6.226 432 H ILE 60 H ILE 60 -4.501 0.660 6.209 433 HA ILE 60 HA ILE 60 -4.319 0.323 3.419 434 HB ILE 60 HB ILE 60 -2.602 -0.300 5.845 435 1HG1 ILE 60 2HG1 ILE 60 -0.971 1.004 4.384 436 2HG1 ILE 60 3HG1 ILE 60 -2.314 1.209 3.248 437 1HG2 ILE 60 1HG2 ILE 60 -1.900 -1.378 3.103 438 2HG2 ILE 60 2HG2 ILE 60 -0.817 -1.252 4.510 439 3HG2 ILE 60 3HG2 ILE 60 -2.194 -2.336 4.580 440 1HD1 ILE 60 1HD1 ILE 60 -3.494 2.544 5.036 441 2HD1 ILE 60 2HD1 ILE 60 -2.244 2.067 6.215 442 3HD1 ILE 60 3HD1 ILE 60 -1.833 3.145 4.876 443 H GLN 61 H GLN 61 -4.535 -2.227 5.956 444 HA GLN 61 HA GLN 61 -4.564 -4.274 3.986 445 1HB GLN 61 2HB GLN 61 -4.442 -4.112 6.789 446 2HB GLN 61 3HB GLN 61 -5.808 -5.173 6.429 447 1HG GLN 61 2HG GLN 61 -4.461 -6.785 5.420 448 2HG GLN 61 3HG GLN 61 -3.213 -5.633 4.933 449 1HE2 GLN 61 1HE2 GLN 61 -1.967 -4.530 6.694 450 2HE2 GLN 61 2HE2 GLN 61 -1.514 -5.544 8.061 451 H GLU 62 H GLU 62 -7.259 -2.695 5.778 452 HA GLU 62 HA GLU 62 -9.477 -4.030 4.732 453 1HB GLU 62 2HB GLU 62 -8.848 -1.266 5.686 454 2HB GLU 62 3HB GLU 62 -10.202 -1.333 4.582 455 1HG GLU 62 2HG GLU 62 -10.025 -3.147 7.005 456 2HG GLU 62 3HG GLU 62 -10.771 -1.542 7.036 457 H LYS 63 H LYS 63 -7.851 -1.163 3.255 458 HA LYS 63 HA LYS 63 -9.459 -1.297 0.917 459 1HB LYS 63 2HB LYS 63 -6.938 0.149 1.775 460 2HB LYS 63 3HB LYS 63 -7.709 0.406 0.242 461 1HG LYS 63 2HG LYS 63 -9.040 0.807 2.984 462 2HG LYS 63 3HG LYS 63 -8.297 2.052 2.004 463 1HD LYS 63 2HD LYS 63 -10.515 2.380 1.641 464 2HD LYS 63 3HD LYS 63 -10.010 1.522 0.174 465 1HE LYS 63 2HE LYS 63 -11.300 -0.348 0.682 466 2HE LYS 63 3HE LYS 63 -11.227 -0.077 2.437 467 1HZ LYS 63 1HZ LYS 63 -12.769 1.504 0.486 468 2HZ LYS 63 2HZ LYS 63 -13.374 0.353 1.500 469 3HZ LYS 63 3HZ LYS 63 -12.752 1.738 2.119 470 H ILE 64 H ILE 64 -6.204 -2.480 1.668 471 HA ILE 64 HA ILE 64 -5.240 -3.059 -0.786 472 HB ILE 64 HB ILE 64 -4.894 -4.028 1.933 473 1HG1 ILE 64 2HG1 ILE 64 -3.565 -2.241 0.671 474 2HG1 ILE 64 3HG1 ILE 64 -2.656 -3.448 1.579 475 1HG2 ILE 64 1HG2 ILE 64 -5.096 -6.183 1.245 476 2HG2 ILE 64 2HG2 ILE 64 -4.139 -5.906 -0.239 477 3HG2 ILE 64 3HG2 ILE 64 -3.374 -5.851 1.370 478 1HD1 ILE 64 1HD1 ILE 64 -3.181 -3.640 -1.413 479 2HD1 ILE 64 2HD1 ILE 64 -1.689 -3.020 -0.663 480 3HD1 ILE 64 3HD1 ILE 64 -2.161 -4.712 -0.435 481 H GLU 65 H GLU 65 -7.241 -5.106 1.433 482 HA GLU 65 HA GLU 65 -7.871 -7.248 -0.324 483 1HB GLU 65 2HB GLU 65 -9.192 -6.081 2.153 484 2HB GLU 65 3HB GLU 65 -9.886 -7.462 1.299 485 1HG GLU 65 2HG GLU 65 -6.970 -7.637 2.010 486 2HG GLU 65 3HG GLU 65 -8.161 -7.771 3.310 487 H LYS 66 H LYS 66 -9.835 -4.346 0.519 488 HA LYS 66 HA LYS 66 -11.977 -4.973 -1.156 489 1HB LYS 66 2HB LYS 66 -11.374 -2.935 0.599 490 2HB LYS 66 3HB LYS 66 -11.427 -2.058 -0.927 491 1HG LYS 66 2HG LYS 66 -13.592 -3.917 0.179 492 2HG LYS 66 3HG LYS 66 -13.554 -2.163 0.402 493 1HD LYS 66 2HD LYS 66 -13.468 -1.975 -2.180 494 2HD LYS 66 3HD LYS 66 -13.928 -3.674 -2.230 495 1HE LYS 66 2HE LYS 66 -15.489 -1.400 -0.884 496 2HE LYS 66 3HE LYS 66 -15.873 -2.121 -2.451 497 1HZ LYS 66 1HZ LYS 66 -16.307 -4.195 -1.350 498 2HZ LYS 66 2HZ LYS 66 -15.908 -3.570 0.119 499 3HZ LYS 66 3HZ LYS 66 -17.227 -3.009 -0.682 500 H LEU 67 H LEU 67 -8.974 -3.361 -2.041 501 HA LEU 67 HA LEU 67 -9.732 -2.607 -4.733 502 1HB LEU 67 2HB LEU 67 -7.135 -2.814 -3.182 503 2HB LEU 67 3HB LEU 67 -7.130 -2.471 -4.906 504 HG LEU 67 HG LEU 67 -8.903 -0.787 -3.128 505 1HD1 LEU 67 1HD1 LEU 67 -6.814 -0.622 -1.933 506 2HD1 LEU 67 2HD1 LEU 67 -5.896 -0.503 -3.427 507 3HD1 LEU 67 3HD1 LEU 67 -6.957 0.832 -2.929 508 1HD2 LEU 67 1HD2 LEU 67 -8.990 -0.593 -5.635 509 2HD2 LEU 67 2HD2 LEU 67 -8.430 0.898 -4.859 510 3HD2 LEU 67 3HD2 LEU 67 -7.262 -0.187 -5.638 511 H GLY 68 H GLY 68 -8.878 -5.615 -3.238 512 1HA GLY 68 2HA GLY 68 -9.041 -7.688 -4.239 513 2HA GLY 68 3HA GLY 68 -8.870 -6.979 -5.851 514 H TYR 69 H TYR 69 -6.794 -6.591 -2.884 515 HA TYR 69 HA TYR 69 -4.559 -7.990 -4.269 516 1HB TYR 69 2HB TYR 69 -4.891 -5.157 -3.919 517 2HB TYR 69 3HB TYR 69 -3.644 -5.671 -2.806 518 HD1 TYR 69 HD1 TYR 69 -1.509 -6.564 -3.616 519 HD2 TYR 69 HD2 TYR 69 -4.716 -5.691 -6.367 520 HE1 TYR 69 HE1 TYR 69 0.102 -6.475 -5.479 521 HE2 TYR 69 HE2 TYR 69 -3.098 -5.569 -8.215 522 HH TYR 69 HH TYR 69 -0.851 -5.091 -8.607 523 H HIS 70 H HIS 70 -2.666 -8.150 -2.644 524 HA HIS 70 HA HIS 70 -3.482 -8.245 0.158 525 1HB HIS 70 2HB HIS 70 -4.160 -10.433 -0.848 526 2HB HIS 70 3HB HIS 70 -2.474 -10.734 -1.266 527 HD1 HIS 70 1HD HIS 70 -3.168 -12.955 0.346 528 HD2 HIS 70 2HD HIS 70 -2.826 -9.202 2.216 529 HE1 HIS 70 1HE HIS 70 -2.982 -13.391 2.854 530 H VAL 71 H VAL 71 -1.833 -7.579 1.366 531 HA VAL 71 HA VAL 71 0.862 -7.215 0.202 532 HB VAL 71 HB VAL 71 -0.324 -5.203 0.860 533 1HG1 VAL 71 1HG1 VAL 71 -0.872 -4.658 3.164 534 2HG1 VAL 71 2HG1 VAL 71 -1.674 -6.194 2.817 535 3HG1 VAL 71 3HG1 VAL 71 -0.177 -6.173 3.758 536 1HG2 VAL 71 1HG2 VAL 71 1.375 -4.216 2.375 537 2HG2 VAL 71 2HG2 VAL 71 2.053 -5.840 2.604 538 3HG2 VAL 71 3HG2 VAL 71 2.046 -5.076 0.990 539 H VAL 72 H VAL 72 2.609 -8.197 1.210 540 HA VAL 72 HA VAL 72 1.999 -10.212 3.310 541 HB VAL 72 HB VAL 72 4.432 -10.065 1.649 542 1HG1 VAL 72 1HG1 VAL 72 3.240 -12.324 3.275 543 2HG1 VAL 72 2HG1 VAL 72 4.678 -12.450 2.243 544 3HG1 VAL 72 3HG1 VAL 72 4.706 -11.393 3.657 545 1HG2 VAL 72 1HG2 VAL 72 1.901 -11.679 1.106 546 2HG2 VAL 72 2HG2 VAL 72 2.552 -10.389 0.069 547 3HG2 VAL 72 3HG2 VAL 72 3.439 -11.904 0.248 548 H ILE 73 H ILE 73 2.936 -10.067 5.205 549 HA ILE 73 HA ILE 73 4.233 -7.526 5.942 550 HB ILE 73 HB ILE 73 3.200 -9.714 7.752 551 1HG1 ILE 73 2HG1 ILE 73 1.311 -8.998 6.454 552 2HG1 ILE 73 3HG1 ILE 73 1.236 -8.253 8.044 553 1HG2 ILE 73 1HG2 ILE 73 3.132 -7.815 9.391 554 2HG2 ILE 73 2HG2 ILE 73 4.769 -8.214 8.870 555 3HG2 ILE 73 3HG2 ILE 73 3.962 -6.790 8.200 556 1HD1 ILE 73 1HD1 ILE 73 2.075 -6.111 7.091 557 2HD1 ILE 73 2HD1 ILE 73 2.087 -6.854 5.471 558 3HD1 ILE 73 3HD1 ILE 73 0.566 -6.657 6.346 559 H GLU 74 H GLU 74 6.137 -8.258 4.697 560 HA GLU 74 HA GLU 74 7.701 -10.339 5.632 561 1HB GLU 74 2HB GLU 74 7.627 -8.908 3.412 562 2HB GLU 74 3HB GLU 74 9.060 -8.160 4.127 563 1HG GLU 74 2HG GLU 74 8.727 -11.201 3.808 564 2HG GLU 74 3HG GLU 74 9.280 -10.175 2.484 565 H GLY 75 H GLY 75 7.089 -7.720 7.305 566 1HA GLY 75 2HA GLY 75 7.863 -6.850 9.299 567 2HA GLY 75 3HA GLY 75 8.930 -8.257 9.380 568 H ARG 76 H ARG 76 8.630 -5.023 7.760 569 HA ARG 76 HA ARG 76 11.404 -4.365 8.152 570 1HB ARG 76 2HB ARG 76 10.330 -5.654 5.704 571 2HB ARG 76 3HB ARG 76 10.925 -4.041 5.379 572 1HG ARG 76 2HG ARG 76 13.125 -4.569 6.042 573 2HG ARG 76 3HG ARG 76 12.611 -5.956 7.024 574 1HD ARG 76 2HD ARG 76 12.084 -7.279 5.124 575 2HD ARG 76 3HD ARG 76 12.405 -5.948 3.992 576 HE ARG 76 HE ARG 76 14.753 -6.095 5.318 577 1HH1 ARG 76 2HH2 ARG 76 12.870 -8.756 3.858 578 2HH1 ARG 76 1HH2 ARG 76 14.251 -9.641 3.352 579 1HH2 ARG 76 2HH1 ARG 76 16.592 -7.317 4.711 580 2HH2 ARG 76 1HH1 ARG 76 16.405 -8.828 3.876 Start of MODEL 19 1 1H MET 1 H1 MET 1 -4.217 19.529 16.658 2 2H MET 1 H2 MET 1 -5.624 19.147 15.878 3 3H MET 1 H3 MET 1 -4.477 17.989 16.144 4 HA MET 1 HA MET 1 -4.425 18.701 13.855 5 1HB MET 1 2HB MET 1 -3.889 21.402 15.159 6 2HB MET 1 3HB MET 1 -3.515 21.038 13.470 7 1HG MET 1 2HG MET 1 -5.845 20.576 12.972 8 2HG MET 1 3HG MET 1 -6.307 20.891 14.656 9 1HE MET 1 1HE MET 1 -8.168 22.545 13.713 10 2HE MET 1 2HE MET 1 -7.795 23.930 12.660 11 3HE MET 1 3HE MET 1 -7.610 22.273 12.041 12 H LEU 2 H LEU 2 -2.892 16.929 14.600 13 HA LEU 2 HA LEU 2 -0.314 17.704 13.814 14 1HB LEU 2 2HB LEU 2 0.998 17.014 15.738 15 2HB LEU 2 3HB LEU 2 -0.014 18.385 16.149 16 HG LEU 2 HG LEU 2 -1.653 16.338 16.983 17 1HD1 LEU 2 1HD1 LEU 2 -0.284 14.680 18.168 18 2HD1 LEU 2 2HD1 LEU 2 0.101 14.592 16.446 19 3HD1 LEU 2 3HD1 LEU 2 1.207 15.417 17.555 20 1HD2 LEU 2 1HD2 LEU 2 -0.827 16.832 19.250 21 2HD2 LEU 2 2HD2 LEU 2 0.601 17.632 18.564 22 3HD2 LEU 2 3HD2 LEU 2 -1.019 18.312 18.295 23 H SER 3 H SER 3 0.520 15.932 12.778 24 HA SER 3 HA SER 3 -0.254 13.213 13.550 25 1HB SER 3 2HB SER 3 -0.549 14.146 10.643 26 2HB SER 3 3HB SER 3 -0.938 12.580 11.340 27 HG SER 3 HG SER 3 -2.831 13.719 11.150 28 H GLU 4 H GLU 4 1.817 12.226 13.679 29 HA GLU 4 HA GLU 4 4.046 13.366 12.124 30 1HB GLU 4 2HB GLU 4 3.764 11.311 14.250 31 2HB GLU 4 3HB GLU 4 5.103 11.239 13.149 32 1HG GLU 4 2HG GLU 4 5.629 13.587 13.753 33 2HG GLU 4 3HG GLU 4 4.433 13.430 15.049 34 H GLN 5 H GLN 5 5.112 11.890 10.702 35 HA GLN 5 HA GLN 5 3.300 9.970 9.286 36 1HB GLN 5 2HB GLN 5 5.593 11.641 8.226 37 2HB GLN 5 3HB GLN 5 4.710 10.395 7.347 38 1HG GLN 5 2HG GLN 5 2.847 12.378 8.435 39 2HG GLN 5 3HG GLN 5 4.127 13.179 7.547 40 1HE2 GLN 5 1HE2 GLN 5 2.500 10.036 6.997 41 2HE2 GLN 5 2HE2 GLN 5 2.047 10.350 5.342 42 H LYS 6 H LYS 6 4.290 7.952 8.746 43 HA LYS 6 HA LYS 6 7.199 7.835 9.004 44 1HB LYS 6 2HB LYS 6 5.468 5.679 10.188 45 2HB LYS 6 3HB LYS 6 7.200 5.542 9.950 46 1HG LYS 6 2HG LYS 6 6.177 7.809 11.697 47 2HG LYS 6 3HG LYS 6 6.126 6.163 12.267 48 1HD LYS 6 2HD LYS 6 8.036 7.113 13.136 49 2HD LYS 6 3HD LYS 6 8.539 5.867 12.006 50 1HE LYS 6 2HE LYS 6 8.455 8.814 11.169 51 2HE LYS 6 3HE LYS 6 9.746 8.223 12.207 52 1HZ LYS 6 1HZ LYS 6 10.488 8.101 9.998 53 2HZ LYS 6 2HZ LYS 6 10.259 6.552 10.476 54 3HZ LYS 6 3HZ LYS 6 9.233 7.308 9.447 55 H GLU 7 H GLU 7 8.096 6.416 7.648 56 HA GLU 7 HA GLU 7 6.599 5.424 5.358 57 1HB GLU 7 2HB GLU 7 9.481 4.708 5.731 58 2HB GLU 7 3HB GLU 7 8.595 5.228 4.298 59 1HG GLU 7 2HG GLU 7 10.142 6.923 4.699 60 2HG GLU 7 3HG GLU 7 8.660 7.609 5.378 61 H ILE 8 H ILE 8 6.280 3.223 4.990 62 HA ILE 8 HA ILE 8 7.513 1.261 6.870 63 HB ILE 8 HB ILE 8 5.347 -0.122 6.245 64 1HG1 ILE 8 2HG1 ILE 8 4.487 1.796 4.801 65 2HG1 ILE 8 3HG1 ILE 8 3.398 0.839 5.811 66 1HG2 ILE 8 1HG2 ILE 8 4.362 0.532 8.374 67 2HG2 ILE 8 2HG2 ILE 8 6.110 0.277 8.473 68 3HG2 ILE 8 3HG2 ILE 8 5.473 1.929 8.446 69 1HD1 ILE 8 1HD1 ILE 8 2.967 3.281 6.019 70 2HD1 ILE 8 2HD1 ILE 8 3.360 2.429 7.536 71 3HD1 ILE 8 3HD1 ILE 8 4.561 3.463 6.777 72 H ALA 9 H ALA 9 7.696 -0.918 5.825 73 HA ALA 9 HA ALA 9 7.951 -0.858 2.877 74 1HB ALA 9 1HB ALA 9 10.138 -1.952 3.054 75 2HB ALA 9 2HB ALA 9 10.206 -0.366 3.853 76 3HB ALA 9 3HB ALA 9 10.087 -1.843 4.826 77 H MET 10 H MET 10 6.862 -2.683 2.130 78 HA MET 10 HA MET 10 6.700 -5.098 3.865 79 1HB MET 10 2HB MET 10 4.294 -3.693 2.651 80 2HB MET 10 3HB MET 10 4.253 -5.257 3.438 81 1HG MET 10 2HG MET 10 4.695 -4.329 5.572 82 2HG MET 10 3HG MET 10 5.177 -2.765 4.925 83 1HE MET 10 1HE MET 10 2.952 -1.911 2.828 84 2HE MET 10 2HE MET 10 1.981 -0.950 3.957 85 3HE MET 10 3HE MET 10 3.755 -0.911 4.060 86 H GLN 11 H GLN 11 5.569 -6.893 2.509 87 HA GLN 11 HA GLN 11 6.783 -6.874 -0.216 88 1HB GLN 11 2HB GLN 11 6.042 -9.083 1.756 89 2HB GLN 11 3HB GLN 11 6.447 -9.408 0.073 90 1HG GLN 11 2HG GLN 11 8.226 -8.108 2.198 91 2HG GLN 11 3HG GLN 11 8.381 -9.745 1.548 92 1HE2 GLN 11 1HE2 GLN 11 8.218 -9.617 -1.087 93 2HE2 GLN 11 2HE2 GLN 11 9.090 -8.284 -1.822 94 H VAL 12 H VAL 12 5.524 -8.109 -1.856 95 HA VAL 12 HA VAL 12 2.627 -7.377 -1.698 96 HB VAL 12 HB VAL 12 4.552 -7.148 -4.054 97 1HG1 VAL 12 1HG1 VAL 12 2.286 -7.604 -4.848 98 2HG1 VAL 12 2HG1 VAL 12 1.617 -6.381 -3.739 99 3HG1 VAL 12 3HG1 VAL 12 2.644 -5.896 -5.101 100 1HG2 VAL 12 1HG2 VAL 12 5.040 -5.390 -2.413 101 2HG2 VAL 12 2HG2 VAL 12 4.185 -4.688 -3.787 102 3HG2 VAL 12 3HG2 VAL 12 3.305 -5.008 -2.280 103 H SER 13 H SER 13 1.157 -8.829 -2.761 104 HA SER 13 HA SER 13 2.137 -10.935 -4.464 105 1HB SER 13 2HB SER 13 0.980 -11.551 -1.712 106 2HB SER 13 3HB SER 13 0.884 -12.711 -3.043 107 HG SER 13 HG SER 13 3.378 -11.570 -2.467 108 H GLY 14 H GLY 14 0.089 -12.259 -5.155 109 1HA GLY 14 2HA GLY 14 -1.997 -12.250 -6.123 110 2HA GLY 14 3HA GLY 14 -2.513 -11.092 -4.882 111 H MET 15 H MET 15 -0.469 -11.274 -7.856 112 HA MET 15 HA MET 15 -1.408 -8.599 -8.696 113 1HB MET 15 2HB MET 15 0.857 -7.823 -9.009 114 2HB MET 15 3HB MET 15 0.649 -8.335 -7.334 115 1HG MET 15 2HG MET 15 2.736 -9.191 -7.856 116 2HG MET 15 3HG MET 15 1.693 -10.589 -8.079 117 1HE MET 15 1HE MET 15 2.576 -7.443 -10.401 118 2HE MET 15 2HE MET 15 4.092 -8.006 -9.657 119 3HE MET 15 3HE MET 15 3.832 -8.204 -11.405 120 H THR 16 H THR 16 -1.187 -8.200 -10.925 121 HA THR 16 HA THR 16 -0.751 -10.523 -12.715 122 HB THR 16 HB THR 16 -1.697 -8.647 -14.309 123 HG1 THR 16 1HG THR 16 -2.919 -7.098 -13.082 124 1HG2 THR 16 1HG2 THR 16 -2.985 -10.638 -13.646 125 2HG2 THR 16 2HG2 THR 16 -3.440 -9.861 -12.115 126 3HG2 THR 16 3HG2 THR 16 -4.022 -9.201 -13.661 127 H CYS 17 H CYS 17 -0.117 -6.990 -12.645 128 HA CYS 17 HA CYS 17 2.657 -7.449 -13.617 129 1HB CYS 17 2HB CYS 17 2.360 -5.835 -15.377 130 2HB CYS 17 3HB CYS 17 1.091 -7.056 -15.544 131 H ALA 18 H ALA 18 3.990 -5.535 -13.471 132 HA ALA 18 HA ALA 18 3.738 -4.249 -10.881 133 1HB ALA 18 1HB ALA 18 5.963 -3.369 -11.414 134 2HB ALA 18 2HB ALA 18 5.882 -5.103 -11.790 135 3HB ALA 18 3HB ALA 18 5.800 -3.908 -13.099 136 H ALA 19 H ALA 19 1.549 -3.461 -12.225 137 HA ALA 19 HA ALA 19 1.958 -0.539 -12.532 138 1HB ALA 19 1HB ALA 19 1.996 -1.467 -14.847 139 2HB ALA 19 2HB ALA 19 0.382 -2.160 -14.573 140 3HB ALA 19 3HB ALA 19 0.608 -0.404 -14.537 141 H CYS 20 H CYS 20 -0.524 -3.220 -12.521 142 HA CYS 20 HA CYS 20 -2.452 -1.657 -11.150 143 1HB CYS 20 2HB CYS 20 -1.948 -4.673 -10.839 144 2HB CYS 20 3HB CYS 20 -3.456 -3.801 -10.495 145 H ALA 21 H ALA 21 0.339 -3.501 -10.037 146 HA ALA 21 HA ALA 21 0.165 -3.232 -7.272 147 1HB ALA 21 1HB ALA 21 1.897 -4.466 -8.619 148 2HB ALA 21 2HB ALA 21 2.672 -2.901 -8.962 149 3HB ALA 21 3HB ALA 21 2.552 -3.506 -7.293 150 H ALA 22 H ALA 22 0.778 -0.670 -9.671 151 HA ALA 22 HA ALA 22 1.585 1.316 -7.660 152 1HB ALA 22 1HB ALA 22 0.661 1.737 -10.531 153 2HB ALA 22 2HB ALA 22 1.545 2.863 -9.489 154 3HB ALA 22 3HB ALA 22 2.345 1.389 -10.073 155 H ARG 23 H ARG 23 -1.209 0.503 -9.725 156 HA ARG 23 HA ARG 23 -2.912 2.605 -9.035 157 1HB ARG 23 2HB ARG 23 -3.604 -0.278 -9.706 158 2HB ARG 23 3HB ARG 23 -4.800 0.993 -9.581 159 1HG ARG 23 2HG ARG 23 -2.410 1.249 -11.457 160 2HG ARG 23 3HG ARG 23 -3.870 0.385 -11.926 161 1HD ARG 23 2HD ARG 23 -3.803 3.297 -11.000 162 2HD ARG 23 3HD ARG 23 -3.836 2.805 -12.678 163 HE ARG 23 HE ARG 23 -6.035 2.864 -10.771 164 1HH1 ARG 23 2HH2 ARG 23 -4.906 1.280 -13.706 165 2HH1 ARG 23 1HH2 ARG 23 -6.484 0.881 -14.307 166 1HH2 ARG 23 2HH1 ARG 23 -8.161 2.312 -11.501 167 2HH2 ARG 23 1HH1 ARG 23 -8.378 1.473 -13.002 168 H ILE 24 H ILE 24 -2.574 -0.548 -7.317 169 HA ILE 24 HA ILE 24 -4.556 0.015 -5.402 170 HB ILE 24 HB ILE 24 -3.619 -1.638 -3.957 171 1HG1 ILE 24 2HG1 ILE 24 -1.236 -1.286 -5.738 172 2HG1 ILE 24 3HG1 ILE 24 -1.333 -1.172 -3.970 173 1HG2 ILE 24 1HG2 ILE 24 -4.864 -2.171 -6.152 174 2HG2 ILE 24 2HG2 ILE 24 -3.284 -2.634 -6.805 175 3HG2 ILE 24 3HG2 ILE 24 -3.943 -3.455 -5.375 176 1HD1 ILE 24 1HD1 ILE 24 -1.680 -3.621 -3.843 177 2HD1 ILE 24 2HD1 ILE 24 -1.470 -3.695 -5.616 178 3HD1 ILE 24 3HD1 ILE 24 -0.128 -3.178 -4.594 179 H GLU 25 H GLU 25 -1.032 0.760 -5.070 180 HA GLU 25 HA GLU 25 -1.266 2.082 -2.587 181 1HB GLU 25 2HB GLU 25 0.760 1.931 -4.781 182 2HB GLU 25 3HB GLU 25 0.858 3.350 -3.731 183 1HG GLU 25 2HG GLU 25 2.263 1.518 -2.898 184 2HG GLU 25 3HG GLU 25 1.007 1.945 -1.731 185 H LYS 26 H LYS 26 -1.717 3.302 -5.881 186 HA LYS 26 HA LYS 26 -1.722 6.103 -5.031 187 1HB LYS 26 2HB LYS 26 -2.418 4.756 -7.643 188 2HB LYS 26 3HB LYS 26 -2.919 6.414 -7.312 189 1HG LYS 26 2HG LYS 26 -0.923 6.669 -8.428 190 2HG LYS 26 3HG LYS 26 -0.522 7.013 -6.739 191 1HD LYS 26 2HD LYS 26 0.480 4.832 -6.440 192 2HD LYS 26 3HD LYS 26 -0.108 4.309 -8.016 193 1HE LYS 26 2HE LYS 26 1.922 6.554 -7.589 194 2HE LYS 26 3HE LYS 26 2.349 4.879 -7.956 195 1HZ LYS 26 1HZ LYS 26 0.794 6.658 -9.715 196 2HZ LYS 26 2HZ LYS 26 2.350 6.188 -9.931 197 3HZ LYS 26 3HZ LYS 26 1.142 5.081 -10.031 198 H GLY 27 H GLY 27 -4.246 3.674 -5.775 199 1HA GLY 27 2HA GLY 27 -6.537 5.288 -5.190 200 2HA GLY 27 3HA GLY 27 -6.408 3.521 -5.034 201 H LEU 28 H LEU 28 -4.393 3.221 -3.202 202 HA LEU 28 HA LEU 28 -5.851 3.421 -0.811 203 1HB LEU 28 2HB LEU 28 -4.290 1.673 -1.251 204 2HB LEU 28 3HB LEU 28 -2.933 2.793 -1.309 205 HG LEU 28 HG LEU 28 -3.220 1.307 0.737 206 1HD1 LEU 28 1HD1 LEU 28 -2.989 4.281 1.226 207 2HD1 LEU 28 2HD1 LEU 28 -2.302 3.018 2.230 208 3HD1 LEU 28 3HD1 LEU 28 -1.683 3.260 0.594 209 1HD2 LEU 28 1HD2 LEU 28 -5.409 3.318 1.457 210 2HD2 LEU 28 2HD2 LEU 28 -5.601 1.593 1.109 211 3HD2 LEU 28 3HD2 LEU 28 -4.696 2.144 2.530 212 H LYS 29 H LYS 29 -3.174 5.499 -2.038 213 HA LYS 29 HA LYS 29 -2.812 7.223 0.066 214 1HB LYS 29 2HB LYS 29 -1.730 7.431 -2.192 215 2HB LYS 29 3HB LYS 29 -3.224 8.181 -2.782 216 1HG LYS 29 2HG LYS 29 -2.899 9.876 -0.783 217 2HG LYS 29 3HG LYS 29 -1.288 9.220 -0.666 218 1HD LYS 29 2HD LYS 29 -2.545 10.517 -3.151 219 2HD LYS 29 3HD LYS 29 -1.606 11.364 -1.911 220 1HE LYS 29 2HE LYS 29 0.126 9.336 -2.527 221 2HE LYS 29 3HE LYS 29 -0.642 9.520 -4.084 222 1HZ LYS 29 1HZ LYS 29 1.393 10.834 -3.560 223 2HZ LYS 29 2HZ LYS 29 0.154 11.790 -4.141 224 3HZ LYS 29 3HZ LYS 29 0.630 11.742 -2.539 225 H ARG 30 H ARG 30 -5.807 7.000 -1.858 226 HA ARG 30 HA ARG 30 -6.719 9.605 -1.129 227 1HB ARG 30 2HB ARG 30 -7.333 8.082 -3.107 228 2HB ARG 30 3HB ARG 30 -8.501 7.323 -2.017 229 1HG ARG 30 2HG ARG 30 -9.646 9.465 -1.714 230 2HG ARG 30 3HG ARG 30 -8.374 10.326 -2.591 231 1HD ARG 30 2HD ARG 30 -10.142 8.149 -3.788 232 2HD ARG 30 3HD ARG 30 -10.493 9.860 -3.945 233 HE ARG 30 HE ARG 30 -8.495 8.277 -5.371 234 1HH1 ARG 30 2HH2 ARG 30 -9.240 11.549 -4.324 235 2HH1 ARG 30 1HH2 ARG 30 -8.476 12.345 -5.664 236 1HH2 ARG 30 2HH1 ARG 30 -7.448 9.284 -7.178 237 2HH2 ARG 30 1HH1 ARG 30 -7.410 11.009 -7.314 238 H MET 31 H MET 31 -6.430 6.885 0.919 239 HA MET 31 HA MET 31 -8.823 7.480 2.523 240 1HB MET 31 2HB MET 31 -6.760 5.314 2.311 241 2HB MET 31 3HB MET 31 -7.368 5.621 3.923 242 1HG MET 31 2HG MET 31 -8.626 3.904 2.704 243 2HG MET 31 3HG MET 31 -9.607 5.218 3.312 244 1HE MET 31 1HE MET 31 -7.585 5.369 -0.203 245 2HE MET 31 2HE MET 31 -7.973 3.677 0.115 246 3HE MET 31 3HE MET 31 -8.797 4.558 -1.196 247 HA PRO 32 HA PRO 32 -7.029 10.247 5.305 248 1HB PRO 32 2HB PRO 32 -7.903 9.478 7.815 249 2HB PRO 32 3HB PRO 32 -8.946 10.206 6.563 250 1HG PRO 32 2HG PRO 32 -8.552 7.262 7.162 251 2HG PRO 32 3HG PRO 32 -10.103 8.142 6.990 252 1HD PRO 32 2HD PRO 32 -9.082 6.751 4.939 253 2HD PRO 32 3HD PRO 32 -9.796 8.358 4.623 254 H GLY 33 H GLY 33 -5.413 10.634 6.921 255 1HA GLY 33 2HA GLY 33 -3.433 10.319 7.953 256 2HA GLY 33 3HA GLY 33 -3.788 8.595 8.076 257 H VAL 34 H VAL 34 -4.033 8.153 5.131 258 HA VAL 34 HA VAL 34 -1.200 7.888 4.587 259 HB VAL 34 HB VAL 34 -3.477 7.496 2.651 260 1HG1 VAL 34 1HG1 VAL 34 -1.734 5.935 1.625 261 2HG1 VAL 34 2HG1 VAL 34 -1.145 7.589 1.704 262 3HG1 VAL 34 3HG1 VAL 34 -0.604 6.394 2.890 263 1HG2 VAL 34 1HG2 VAL 34 -3.362 5.075 3.318 264 2HG2 VAL 34 2HG2 VAL 34 -2.326 5.534 4.683 265 3HG2 VAL 34 3HG2 VAL 34 -4.000 6.113 4.582 266 H THR 35 H THR 35 0.099 9.265 3.506 267 HA THR 35 HA THR 35 -1.184 11.609 2.141 268 HB THR 35 HB THR 35 0.779 11.497 4.301 269 HG1 THR 35 1HG THR 35 -0.251 13.286 4.812 270 1HG2 THR 35 1HG2 THR 35 2.404 12.136 2.719 271 2HG2 THR 35 2HG2 THR 35 1.278 13.241 1.863 272 3HG2 THR 35 3HG2 THR 35 1.849 13.635 3.490 273 H ASP 36 H ASP 36 1.621 9.254 2.070 274 HA ASP 36 HA ASP 36 1.193 9.369 -0.732 275 1HB ASP 36 2HB ASP 36 3.438 10.911 0.205 276 2HB ASP 36 3HB ASP 36 4.065 9.472 -0.618 277 H ALA 37 H ALA 37 2.550 7.829 -1.926 278 HA ALA 37 HA ALA 37 3.053 5.364 -0.459 279 1HB ALA 37 1HB ALA 37 0.548 5.502 -0.402 280 2HB ALA 37 2HB ALA 37 0.536 5.581 -2.177 281 3HB ALA 37 3HB ALA 37 1.130 4.124 -1.349 282 H ASN 38 H ASN 38 4.143 3.804 -1.725 283 HA ASN 38 HA ASN 38 4.746 4.542 -4.524 284 1HB ASN 38 2HB ASN 38 7.291 4.331 -3.313 285 2HB ASN 38 3HB ASN 38 6.547 5.738 -4.044 286 1HD2 ASN 38 1HD2 ASN 38 6.010 4.102 -0.850 287 2HD2 ASN 38 2HD2 ASN 38 6.386 5.556 0.076 288 H VAL 39 H VAL 39 4.357 2.530 -5.341 289 HA VAL 39 HA VAL 39 5.185 0.198 -3.817 290 HB VAL 39 HB VAL 39 3.159 0.333 -5.318 291 1HG1 VAL 39 1HG1 VAL 39 5.171 -0.231 -7.550 292 2HG1 VAL 39 2HG1 VAL 39 3.423 -0.242 -7.667 293 3HG1 VAL 39 3HG1 VAL 39 4.261 1.288 -7.356 294 1HG2 VAL 39 1HG2 VAL 39 3.940 -1.702 -4.297 295 2HG2 VAL 39 2HG2 VAL 39 3.414 -2.034 -5.942 296 3HG2 VAL 39 3HG2 VAL 39 5.155 -1.941 -5.569 297 H ASN 40 H ASN 40 7.227 -0.726 -3.924 298 HA ASN 40 HA ASN 40 9.161 0.368 -5.933 299 1HB ASN 40 2HB ASN 40 9.640 0.887 -3.549 300 2HB ASN 40 3HB ASN 40 9.682 -0.843 -3.195 301 1HD2 ASN 40 1HD2 ASN 40 11.922 0.230 -2.479 302 2HD2 ASN 40 2HD2 ASN 40 13.197 0.083 -3.679 303 H LEU 41 H LEU 41 7.489 -1.253 -6.980 304 HA LEU 41 HA LEU 41 7.811 -4.014 -6.461 305 1HB LEU 41 2HB LEU 41 5.946 -2.523 -7.706 306 2HB LEU 41 3HB LEU 41 6.822 -3.042 -9.133 307 HG LEU 41 HG LEU 41 4.846 -4.379 -8.627 308 1HD1 LEU 41 1HD1 LEU 41 5.766 -6.577 -8.907 309 2HD1 LEU 41 2HD1 LEU 41 6.900 -5.458 -9.689 310 3HD1 LEU 41 3HD1 LEU 41 7.266 -6.140 -8.092 311 1HD2 LEU 41 1HD2 LEU 41 4.786 -4.172 -6.178 312 2HD2 LEU 41 2HD2 LEU 41 4.586 -5.832 -6.749 313 3HD2 LEU 41 3HD2 LEU 41 6.121 -5.331 -6.038 314 H ALA 42 H ALA 42 9.663 -1.768 -8.323 315 HA ALA 42 HA ALA 42 11.204 -3.304 -10.053 316 1HB ALA 42 1HB ALA 42 11.484 -0.866 -9.689 317 2HB ALA 42 2HB ALA 42 12.147 -1.198 -8.065 318 3HB ALA 42 3HB ALA 42 13.023 -1.742 -9.507 319 H THR 43 H THR 43 11.277 -3.251 -6.459 320 HA THR 43 HA THR 43 13.042 -5.641 -6.595 321 HB THR 43 HB THR 43 14.304 -3.685 -5.920 322 HG1 THR 43 1HG THR 43 15.222 -4.732 -4.095 323 1HG2 THR 43 1HG2 THR 43 12.460 -2.565 -4.571 324 2HG2 THR 43 2HG2 THR 43 12.795 -3.727 -3.276 325 3HG2 THR 43 3HG2 THR 43 14.056 -2.603 -3.802 326 H GLU 44 H GLU 44 10.298 -5.652 -6.822 327 HA GLU 44 HA GLU 44 8.308 -6.267 -5.914 328 1HB GLU 44 2HB GLU 44 10.255 -8.385 -4.932 329 2HB GLU 44 3HB GLU 44 8.493 -8.560 -4.967 330 1HG GLU 44 2HG GLU 44 8.522 -8.046 -7.440 331 2HG GLU 44 3HG GLU 44 10.291 -8.149 -7.382 332 H THR 45 H THR 45 9.083 -4.169 -4.339 333 HA THR 45 HA THR 45 8.210 -4.977 -1.594 334 HB THR 45 HB THR 45 10.290 -2.960 -2.558 335 HG1 THR 45 1HG THR 45 10.954 -5.163 -2.407 336 1HG2 THR 45 1HG2 THR 45 10.726 -2.571 -0.138 337 2HG2 THR 45 2HG2 THR 45 9.145 -1.963 -0.653 338 3HG2 THR 45 3HG2 THR 45 9.261 -3.498 0.252 339 H VAL 46 H VAL 46 6.874 -3.340 -0.539 340 HA VAL 46 HA VAL 46 5.936 -1.101 -2.271 341 HB VAL 46 HB VAL 46 4.090 -2.606 -2.226 342 1HG1 VAL 46 1HG1 VAL 46 4.660 -4.081 -0.348 343 2HG1 VAL 46 2HG1 VAL 46 4.434 -2.722 0.778 344 3HG1 VAL 46 3HG1 VAL 46 3.050 -3.399 -0.100 345 1HG2 VAL 46 1HG2 VAL 46 3.561 -0.218 -1.847 346 2HG2 VAL 46 2HG2 VAL 46 2.391 -1.313 -1.075 347 3HG2 VAL 46 3HG2 VAL 46 3.597 -0.489 -0.089 348 H ASN 47 H ASN 47 5.827 0.948 -1.239 349 HA ASN 47 HA ASN 47 6.555 0.974 1.625 350 1HB ASN 47 2HB ASN 47 7.671 2.649 -0.676 351 2HB ASN 47 3HB ASN 47 7.737 3.182 1.006 352 1HD2 ASN 47 1HD2 ASN 47 8.743 1.569 2.588 353 2HD2 ASN 47 2HD2 ASN 47 10.253 0.875 2.014 354 H VAL 48 H VAL 48 5.351 2.615 2.822 355 HA VAL 48 HA VAL 48 3.368 4.111 1.256 356 HB VAL 48 HB VAL 48 2.583 2.430 3.665 357 1HG1 VAL 48 1HG1 VAL 48 1.287 4.501 3.334 358 2HG1 VAL 48 2HG1 VAL 48 0.981 4.053 1.643 359 3HG1 VAL 48 3HG1 VAL 48 0.306 3.073 2.956 360 1HG2 VAL 48 1HG2 VAL 48 2.991 0.862 1.839 361 2HG2 VAL 48 2HG2 VAL 48 1.251 1.072 2.048 362 3HG2 VAL 48 3HG2 VAL 48 2.079 1.890 0.707 363 H ILE 49 H ILE 49 3.145 6.114 2.138 364 HA ILE 49 HA ILE 49 4.743 6.711 4.535 365 HB ILE 49 HB ILE 49 3.988 8.657 2.301 366 1HG1 ILE 49 2HG1 ILE 49 5.325 7.007 1.201 367 2HG1 ILE 49 3HG1 ILE 49 6.221 8.506 1.405 368 1HG2 ILE 49 1HG2 ILE 49 5.998 8.804 4.579 369 2HG2 ILE 49 2HG2 ILE 49 5.844 9.995 3.269 370 3HG2 ILE 49 3HG2 ILE 49 4.506 9.737 4.395 371 1HD1 ILE 49 1HD1 ILE 49 7.417 7.529 3.358 372 2HD1 ILE 49 2HD1 ILE 49 6.557 5.997 3.096 373 3HD1 ILE 49 3HD1 ILE 49 7.675 6.604 1.865 374 H TYR 50 H TYR 50 3.113 6.582 6.117 375 HA TYR 50 HA TYR 50 0.688 8.245 5.703 376 1HB TYR 50 2HB TYR 50 -0.791 6.566 6.606 377 2HB TYR 50 3HB TYR 50 -0.034 6.049 5.113 378 HD1 TYR 50 HD1 TYR 50 1.020 5.682 8.774 379 HD2 TYR 50 HD2 TYR 50 -0.218 3.773 5.113 380 HE1 TYR 50 HE1 TYR 50 1.373 3.485 9.796 381 HE2 TYR 50 HE2 TYR 50 0.102 1.568 6.164 382 HH TYR 50 HH TYR 50 0.669 0.447 8.066 383 H ASP 51 H ASP 51 -0.515 8.554 7.668 384 HA ASP 51 HA ASP 51 1.371 9.189 9.831 385 1HB ASP 51 2HB ASP 51 -1.577 9.832 9.696 386 2HB ASP 51 3HB ASP 51 -0.320 10.452 10.805 387 HA PRO 52 HA PRO 52 -0.086 5.243 11.580 388 1HB PRO 52 2HB PRO 52 1.779 4.822 13.506 389 2HB PRO 52 3HB PRO 52 2.087 4.573 11.770 390 1HG PRO 52 2HG PRO 52 2.708 7.061 13.403 391 2HG PRO 52 3HG PRO 52 3.822 6.142 12.345 392 1HD PRO 52 2HD PRO 52 2.555 8.342 11.457 393 2HD PRO 52 3HD PRO 52 2.741 6.920 10.389 394 H ALA 53 H ALA 53 -0.520 8.345 12.704 395 HA ALA 53 HA ALA 53 -1.535 7.659 15.383 396 1HB ALA 53 1HB ALA 53 -1.502 10.235 13.751 397 2HB ALA 53 2HB ALA 53 -2.070 10.063 15.427 398 3HB ALA 53 3HB ALA 53 -0.353 9.812 15.043 399 H GLU 54 H GLU 54 -2.421 7.992 11.980 400 HA GLU 54 HA GLU 54 -5.284 8.031 12.688 401 1HB GLU 54 2HB GLU 54 -3.809 9.847 11.064 402 2HB GLU 54 3HB GLU 54 -4.780 8.865 9.958 403 1HG GLU 54 2HG GLU 54 -6.816 9.399 11.208 404 2HG GLU 54 3HG GLU 54 -5.867 10.392 12.335 405 H THR 55 H THR 55 -3.052 6.997 10.067 406 HA THR 55 HA THR 55 -4.538 4.508 9.847 407 HB THR 55 HB THR 55 -2.901 4.267 7.640 408 HG1 THR 55 1HG THR 55 -4.020 6.642 7.283 409 1HG2 THR 55 1HG2 THR 55 -4.997 4.806 6.507 410 2HG2 THR 55 2HG2 THR 55 -5.305 3.745 7.917 411 3HG2 THR 55 3HG2 THR 55 -5.671 5.502 8.007 412 H GLY 56 H GLY 56 -2.507 2.861 8.890 413 1HA GLY 56 2HA GLY 56 -0.632 2.022 10.687 414 2HA GLY 56 3HA GLY 56 -2.234 1.703 11.408 415 H THR 57 H THR 57 -2.396 -0.523 10.911 416 HA THR 57 HA THR 57 -1.665 -1.626 8.295 417 HB THR 57 HB THR 57 -2.412 -3.730 9.587 418 HG1 THR 57 1HG THR 57 -2.537 -3.347 11.865 419 1HG2 THR 57 1HG2 THR 57 -0.318 -3.754 10.943 420 2HG2 THR 57 2HG2 THR 57 -0.020 -3.048 9.345 421 3HG2 THR 57 3HG2 THR 57 -0.163 -1.994 10.766 422 H ALA 58 H ALA 58 -4.383 -0.855 10.374 423 HA ALA 58 HA ALA 58 -6.323 -2.392 9.362 424 1HB ALA 58 1HB ALA 58 -6.674 0.419 10.456 425 2HB ALA 58 2HB ALA 58 -7.947 -0.819 10.345 426 3HB ALA 58 3HB ALA 58 -6.550 -1.075 11.408 427 H ALA 59 H ALA 59 -5.927 0.949 8.292 428 HA ALA 59 HA ALA 59 -8.310 0.621 6.594 429 1HB ALA 59 1HB ALA 59 -6.275 2.815 6.210 430 2HB ALA 59 2HB ALA 59 -7.987 2.814 5.780 431 3HB ALA 59 3HB ALA 59 -7.527 2.867 7.495 432 H ILE 60 H ILE 60 -4.853 0.484 6.178 433 HA ILE 60 HA ILE 60 -4.698 0.144 3.369 434 HB ILE 60 HB ILE 60 -2.913 -0.491 5.741 435 1HG1 ILE 60 2HG1 ILE 60 -1.428 1.024 4.362 436 2HG1 ILE 60 3HG1 ILE 60 -2.737 1.096 3.175 437 1HG2 ILE 60 1HG2 ILE 60 -2.365 -1.341 2.862 438 2HG2 ILE 60 2HG2 ILE 60 -1.172 -1.307 4.175 439 3HG2 ILE 60 3HG2 ILE 60 -2.526 -2.431 4.259 440 1HD1 ILE 60 1HD1 ILE 60 -2.994 2.038 6.078 441 2HD1 ILE 60 2HD1 ILE 60 -2.511 3.095 4.745 442 3HD1 ILE 60 3HD1 ILE 60 -4.122 2.391 4.749 443 H GLN 61 H GLN 61 -4.944 -2.367 5.961 444 HA GLN 61 HA GLN 61 -4.933 -4.493 4.049 445 1HB GLN 61 2HB GLN 61 -5.338 -4.204 6.926 446 2HB GLN 61 3HB GLN 61 -6.485 -5.329 6.205 447 1HG GLN 61 2HG GLN 61 -4.638 -6.617 6.906 448 2HG GLN 61 3HG GLN 61 -4.678 -6.607 5.143 449 1HE2 GLN 61 1HE2 GLN 61 -3.417 -3.616 6.625 450 2HE2 GLN 61 2HE2 GLN 61 -1.740 -4.044 6.345 451 H GLU 62 H GLU 62 -7.634 -2.737 5.670 452 HA GLU 62 HA GLU 62 -9.817 -4.012 4.517 453 1HB GLU 62 2HB GLU 62 -9.254 -1.268 5.582 454 2HB GLU 62 3HB GLU 62 -10.651 -1.391 4.524 455 1HG GLU 62 2HG GLU 62 -11.376 -1.683 6.796 456 2HG GLU 62 3HG GLU 62 -11.575 -3.218 5.944 457 H LYS 63 H LYS 63 -8.046 -1.181 3.095 458 HA LYS 63 HA LYS 63 -9.627 -1.305 0.744 459 1HB LYS 63 2HB LYS 63 -7.163 0.130 1.699 460 2HB LYS 63 3HB LYS 63 -7.638 0.269 0.031 461 1HG LYS 63 2HG LYS 63 -9.559 0.876 2.316 462 2HG LYS 63 3HG LYS 63 -8.400 2.032 1.666 463 1HD LYS 63 2HD LYS 63 -10.558 2.469 0.732 464 2HD LYS 63 3HD LYS 63 -9.421 1.994 -0.541 465 1HE LYS 63 2HE LYS 63 -10.487 -0.136 -0.825 466 2HE LYS 63 3HE LYS 63 -11.446 0.067 0.671 467 1HZ LYS 63 1HZ LYS 63 -12.720 0.462 -1.306 468 2HZ LYS 63 2HZ LYS 63 -12.619 1.841 -0.418 469 3HZ LYS 63 3HZ LYS 63 -11.714 1.667 -1.785 470 H ILE 64 H ILE 64 -6.432 -2.643 1.567 471 HA ILE 64 HA ILE 64 -5.344 -3.283 -0.891 472 HB ILE 64 HB ILE 64 -5.259 -4.238 1.904 473 1HG1 ILE 64 2HG1 ILE 64 -3.951 -2.278 1.037 474 2HG1 ILE 64 3HG1 ILE 64 -3.034 -3.580 1.797 475 1HG2 ILE 64 1HG2 ILE 64 -3.555 -5.926 1.336 476 2HG2 ILE 64 2HG2 ILE 64 -5.243 -6.349 1.037 477 3HG2 ILE 64 3HG2 ILE 64 -4.199 -5.894 -0.332 478 1HD1 ILE 64 1HD1 ILE 64 -2.554 -4.452 -0.532 479 2HD1 ILE 64 2HD1 ILE 64 -3.226 -2.932 -1.150 480 3HD1 ILE 64 3HD1 ILE 64 -1.813 -2.902 -0.072 481 H GLU 65 H GLU 65 -7.509 -5.150 1.321 482 HA GLU 65 HA GLU 65 -8.200 -7.311 -0.351 483 1HB GLU 65 2HB GLU 65 -9.585 -5.818 1.897 484 2HB GLU 65 3HB GLU 65 -10.465 -6.981 0.888 485 1HG GLU 65 2HG GLU 65 -8.137 -8.355 1.694 486 2HG GLU 65 3HG GLU 65 -8.707 -7.489 3.125 487 H LYS 66 H LYS 66 -10.102 -4.248 0.086 488 HA LYS 66 HA LYS 66 -12.034 -5.054 -1.872 489 1HB LYS 66 2HB LYS 66 -11.437 -2.493 -0.410 490 2HB LYS 66 3HB LYS 66 -12.425 -2.427 -1.863 491 1HG LYS 66 2HG LYS 66 -13.942 -2.553 -0.136 492 2HG LYS 66 3HG LYS 66 -13.997 -4.135 -0.893 493 1HD LYS 66 2HD LYS 66 -12.317 -3.586 1.580 494 2HD LYS 66 3HD LYS 66 -14.048 -3.848 1.724 495 1HE LYS 66 2HE LYS 66 -13.956 -6.085 0.922 496 2HE LYS 66 3HE LYS 66 -12.319 -5.899 0.321 497 1HZ LYS 66 1HZ LYS 66 -13.112 -6.000 3.166 498 2HZ LYS 66 2HZ LYS 66 -12.225 -7.109 2.350 499 3HZ LYS 66 3HZ LYS 66 -11.590 -5.655 2.644 500 H LEU 67 H LEU 67 -8.982 -3.413 -2.274 501 HA LEU 67 HA LEU 67 -9.342 -2.602 -5.035 502 1HB LEU 67 2HB LEU 67 -6.934 -2.957 -3.240 503 2HB LEU 67 3HB LEU 67 -6.818 -2.407 -4.908 504 HG LEU 67 HG LEU 67 -8.621 -0.953 -2.935 505 1HD1 LEU 67 1HD1 LEU 67 -5.675 -0.440 -3.465 506 2HD1 LEU 67 2HD1 LEU 67 -6.753 0.592 -2.503 507 3HD1 LEU 67 3HD1 LEU 67 -6.354 -1.046 -1.951 508 1HD2 LEU 67 1HD2 LEU 67 -8.915 -0.402 -5.337 509 2HD2 LEU 67 2HD2 LEU 67 -8.193 0.951 -4.455 510 3HD2 LEU 67 3HD2 LEU 67 -7.175 -0.079 -5.478 511 H GLY 68 H GLY 68 -8.688 -5.619 -3.405 512 1HA GLY 68 2HA GLY 68 -8.775 -7.702 -4.345 513 2HA GLY 68 3HA GLY 68 -8.572 -7.031 -5.967 514 H TYR 69 H TYR 69 -6.505 -6.529 -3.028 515 HA TYR 69 HA TYR 69 -4.296 -8.083 -4.313 516 1HB TYR 69 2HB TYR 69 -4.475 -5.209 -3.722 517 2HB TYR 69 3HB TYR 69 -3.174 -5.953 -2.822 518 HD1 TYR 69 HD1 TYR 69 -1.132 -6.563 -3.882 519 HD2 TYR 69 HD2 TYR 69 -4.633 -5.752 -6.262 520 HE1 TYR 69 HE1 TYR 69 0.268 -6.388 -5.894 521 HE2 TYR 69 HE2 TYR 69 -3.252 -5.593 -8.265 522 HH TYR 69 HH TYR 69 -1.086 -5.622 -9.119 523 H HIS 70 H HIS 70 -2.508 -8.437 -2.605 524 HA HIS 70 HA HIS 70 -3.365 -8.132 0.135 525 1HB HIS 70 2HB HIS 70 -4.308 -10.375 -0.542 526 2HB HIS 70 3HB HIS 70 -2.654 -10.926 -0.824 527 HD1 HIS 70 1HD HIS 70 -2.663 -12.687 1.157 528 HD2 HIS 70 2HD HIS 70 -3.846 -8.803 2.263 529 HE1 HIS 70 1HE HIS 70 -2.917 -12.684 3.698 530 H VAL 71 H VAL 71 -1.616 -7.434 1.288 531 HA VAL 71 HA VAL 71 1.040 -7.551 0.062 532 HB VAL 71 HB VAL 71 1.640 -6.180 2.019 533 1HG1 VAL 71 1HG1 VAL 71 -0.750 -5.138 0.492 534 2HG1 VAL 71 2HG1 VAL 71 0.462 -4.145 1.319 535 3HG1 VAL 71 3HG1 VAL 71 0.927 -5.125 -0.088 536 1HG2 VAL 71 1HG2 VAL 71 -1.308 -6.141 2.769 537 2HG2 VAL 71 2HG2 VAL 71 -0.031 -6.989 3.668 538 3HG2 VAL 71 3HG2 VAL 71 0.007 -5.227 3.515 539 H VAL 72 H VAL 72 2.867 -8.120 1.611 540 HA VAL 72 HA VAL 72 2.221 -10.436 3.354 541 HB VAL 72 HB VAL 72 4.453 -10.457 1.379 542 1HG1 VAL 72 1HG1 VAL 72 3.234 -12.654 3.106 543 2HG1 VAL 72 2HG1 VAL 72 4.584 -12.850 1.969 544 3HG1 VAL 72 3HG1 VAL 72 4.791 -11.859 3.415 545 1HG2 VAL 72 1HG2 VAL 72 1.719 -11.771 1.188 546 2HG2 VAL 72 2HG2 VAL 72 2.430 -10.597 0.055 547 3HG2 VAL 72 3HG2 VAL 72 3.117 -12.219 0.192 548 H ILE 73 H ILE 73 3.642 -10.637 5.101 549 HA ILE 73 HA ILE 73 5.262 -8.190 5.704 550 HB ILE 73 HB ILE 73 3.538 -9.748 7.616 551 1HG1 ILE 73 2HG1 ILE 73 2.079 -8.603 6.007 552 2HG1 ILE 73 3HG1 ILE 73 2.041 -7.898 7.610 553 1HG2 ILE 73 1HG2 ILE 73 5.417 -8.658 8.727 554 2HG2 ILE 73 2HG2 ILE 73 5.140 -7.159 7.835 555 3HG2 ILE 73 3HG2 ILE 73 3.958 -7.713 9.044 556 1HD1 ILE 73 1HD1 ILE 73 1.974 -6.186 5.855 557 2HD1 ILE 73 2HD1 ILE 73 3.378 -5.990 6.913 558 3HD1 ILE 73 3HD1 ILE 73 3.571 -6.684 5.287 559 H GLU 74 H GLU 74 7.032 -9.638 4.746 560 HA GLU 74 HA GLU 74 7.728 -11.957 6.110 561 1HB GLU 74 2HB GLU 74 9.101 -10.286 3.993 562 2HB GLU 74 3HB GLU 74 9.708 -11.815 4.590 563 1HG GLU 74 2HG GLU 74 7.505 -12.895 3.944 564 2HG GLU 74 3HG GLU 74 7.063 -11.373 3.144 565 H GLY 75 H GLY 75 8.138 -9.017 7.217 566 1HA GLY 75 2HA GLY 75 9.378 -8.204 9.073 567 2HA GLY 75 3HA GLY 75 10.352 -9.682 9.055 568 H ARG 76 H ARG 76 9.907 -6.457 7.621 569 HA ARG 76 HA ARG 76 12.655 -6.244 6.739 570 1HB ARG 76 2HB ARG 76 10.348 -6.523 4.886 571 2HB ARG 76 3HB ARG 76 11.003 -4.898 4.837 572 1HG ARG 76 2HG ARG 76 11.980 -6.198 3.108 573 2HG ARG 76 3HG ARG 76 13.227 -5.731 4.267 574 1HD ARG 76 2HD ARG 76 11.814 -8.436 4.393 575 2HD ARG 76 3HD ARG 76 13.157 -8.210 3.289 576 HE ARG 76 HE ARG 76 13.207 -8.488 6.185 577 1HH1 ARG 76 2HH2 ARG 76 14.963 -7.102 3.480 578 2HH1 ARG 76 1HH2 ARG 76 16.521 -7.079 4.253 579 1HH2 ARG 76 2HH1 ARG 76 15.216 -8.460 7.284 580 2HH2 ARG 76 1HH1 ARG 76 16.661 -7.872 6.513 Start of MODEL 20 1 1H MET 1 H1 MET 1 3.323 16.578 17.995 2 2H MET 1 H2 MET 1 4.598 17.620 18.098 3 3H MET 1 H3 MET 1 3.049 18.095 18.526 4 HA MET 1 HA MET 1 3.413 19.008 16.409 5 1HB MET 1 2HB MET 1 3.946 17.396 14.500 6 2HB MET 1 3HB MET 1 5.276 17.750 15.601 7 1HG MET 1 2HG MET 1 3.539 15.316 16.095 8 2HG MET 1 3HG MET 1 4.807 15.272 14.877 9 1HE MET 1 1HE MET 1 4.305 13.915 18.264 10 2HE MET 1 2HE MET 1 4.998 13.140 16.828 11 3HE MET 1 3HE MET 1 5.999 13.366 18.270 12 H LEU 2 H LEU 2 1.978 18.416 14.375 13 HA LEU 2 HA LEU 2 -0.594 17.187 15.164 14 1HB LEU 2 2HB LEU 2 0.540 18.627 12.740 15 2HB LEU 2 3HB LEU 2 -0.825 17.546 12.518 16 HG LEU 2 HG LEU 2 -2.155 18.756 14.182 17 1HD1 LEU 2 1HD1 LEU 2 -1.435 21.034 14.881 18 2HD1 LEU 2 2HD1 LEU 2 -0.416 19.777 15.589 19 3HD1 LEU 2 3HD1 LEU 2 0.178 20.726 14.205 20 1HD2 LEU 2 1HD2 LEU 2 -2.303 19.252 11.766 21 2HD2 LEU 2 2HD2 LEU 2 -2.596 20.701 12.743 22 3HD2 LEU 2 3HD2 LEU 2 -1.029 20.479 11.934 23 H SER 3 H SER 3 -1.302 15.567 13.211 24 HA SER 3 HA SER 3 -0.453 13.134 13.089 25 1HB SER 3 2HB SER 3 -0.943 14.988 10.712 26 2HB SER 3 3HB SER 3 -1.089 13.229 10.659 27 HG SER 3 HG SER 3 -2.735 13.298 12.081 28 H GLU 4 H GLU 4 1.506 12.263 13.175 29 HA GLU 4 HA GLU 4 3.874 13.436 11.948 30 1HB GLU 4 2HB GLU 4 3.255 11.155 13.719 31 2HB GLU 4 3HB GLU 4 4.594 10.872 12.636 32 1HG GLU 4 2HG GLU 4 5.483 13.106 13.431 33 2HG GLU 4 3HG GLU 4 4.262 12.962 14.706 34 H GLN 5 H GLN 5 5.220 11.568 10.673 35 HA GLN 5 HA GLN 5 3.469 10.102 8.828 36 1HB GLN 5 2HB GLN 5 5.826 11.837 8.099 37 2HB GLN 5 3HB GLN 5 5.147 10.659 6.981 38 1HG GLN 5 2HG GLN 5 3.263 12.742 8.115 39 2HG GLN 5 3HG GLN 5 4.503 13.270 6.994 40 1HE2 GLN 5 1HE2 GLN 5 2.708 10.119 6.979 41 2HE2 GLN 5 2HE2 GLN 5 1.850 10.485 5.490 42 H LYS 6 H LYS 6 4.397 8.086 8.323 43 HA LYS 6 HA LYS 6 7.250 7.783 8.569 44 1HB LYS 6 2HB LYS 6 5.440 5.941 10.186 45 2HB LYS 6 3HB LYS 6 7.071 5.506 9.664 46 1HG LYS 6 2HG LYS 6 7.903 7.662 10.730 47 2HG LYS 6 3HG LYS 6 6.347 7.779 11.550 48 1HD LYS 6 2HD LYS 6 8.226 5.370 11.717 49 2HD LYS 6 3HD LYS 6 8.274 6.749 12.830 50 1HE LYS 6 2HE LYS 6 5.914 6.336 13.485 51 2HE LYS 6 3HE LYS 6 5.872 4.902 12.425 52 1HZ LYS 6 1HZ LYS 6 7.577 3.937 13.797 53 2HZ LYS 6 2HZ LYS 6 7.636 5.281 14.750 54 3HZ LYS 6 3HZ LYS 6 6.278 4.358 14.716 55 H GLU 7 H GLU 7 8.018 5.902 7.519 56 HA GLU 7 HA GLU 7 6.494 5.360 5.054 57 1HB GLU 7 2HB GLU 7 9.511 5.403 5.358 58 2HB GLU 7 3HB GLU 7 8.481 5.610 3.945 59 1HG GLU 7 2HG GLU 7 9.348 7.754 4.414 60 2HG GLU 7 3HG GLU 7 7.731 7.838 5.135 61 H ILE 8 H ILE 8 5.646 3.372 5.756 62 HA ILE 8 HA ILE 8 7.393 1.401 7.039 63 HB ILE 8 HB ILE 8 4.537 1.367 6.214 64 1HG1 ILE 8 2HG1 ILE 8 4.178 1.387 8.795 65 2HG1 ILE 8 3HG1 ILE 8 5.885 1.799 8.959 66 1HG2 ILE 8 1HG2 ILE 8 5.331 -0.830 6.351 67 2HG2 ILE 8 2HG2 ILE 8 6.101 -0.465 7.940 68 3HG2 ILE 8 3HG2 ILE 8 4.311 -0.475 7.750 69 1HD1 ILE 8 1HD1 ILE 8 4.020 3.440 7.260 70 2HD1 ILE 8 2HD1 ILE 8 4.036 3.625 9.034 71 3HD1 ILE 8 3HD1 ILE 8 5.512 3.938 8.106 72 H ALA 9 H ALA 9 7.360 -0.819 6.007 73 HA ALA 9 HA ALA 9 7.515 -0.798 3.050 74 1HB ALA 9 1HB ALA 9 9.797 -0.195 3.908 75 2HB ALA 9 2HB ALA 9 9.813 -1.701 4.839 76 3HB ALA 9 3HB ALA 9 9.752 -1.758 3.065 77 H MET 10 H MET 10 6.740 -2.786 2.272 78 HA MET 10 HA MET 10 7.096 -5.245 3.809 79 1HB MET 10 2HB MET 10 4.613 -5.777 3.760 80 2HB MET 10 3HB MET 10 5.187 -4.701 5.029 81 1HG MET 10 2HG MET 10 4.244 -3.355 2.551 82 2HG MET 10 3HG MET 10 3.029 -4.239 3.449 83 1HE MET 10 1HE MET 10 4.071 -0.092 4.243 84 2HE MET 10 2HE MET 10 5.193 -1.092 3.309 85 3HE MET 10 3HE MET 10 3.501 -0.984 2.796 86 H GLN 11 H GLN 11 5.760 -7.082 2.597 87 HA GLN 11 HA GLN 11 6.617 -6.882 -0.240 88 1HB GLN 11 2HB GLN 11 6.175 -9.177 1.738 89 2HB GLN 11 3HB GLN 11 6.302 -9.461 0.007 90 1HG GLN 11 2HG GLN 11 8.416 -8.125 1.774 91 2HG GLN 11 3HG GLN 11 8.476 -9.788 1.159 92 1HE2 GLN 11 1HE2 GLN 11 7.944 -9.852 -1.380 93 2HE2 GLN 11 2HE2 GLN 11 8.548 -8.501 -2.314 94 H VAL 12 H VAL 12 5.220 -8.017 -1.832 95 HA VAL 12 HA VAL 12 2.356 -7.302 -1.310 96 HB VAL 12 HB VAL 12 3.956 -7.052 -3.892 97 1HG1 VAL 12 1HG1 VAL 12 1.542 -7.247 -4.288 98 2HG1 VAL 12 2HG1 VAL 12 1.208 -6.030 -3.033 99 3HG1 VAL 12 3HG1 VAL 12 2.043 -5.569 -4.528 100 1HG2 VAL 12 1HG2 VAL 12 3.247 -4.985 -1.784 101 2HG2 VAL 12 2HG2 VAL 12 4.888 -5.444 -2.303 102 3HG2 VAL 12 3HG2 VAL 12 3.822 -4.576 -3.408 103 H SER 13 H SER 13 0.736 -8.623 -2.495 104 HA SER 13 HA SER 13 1.681 -10.776 -4.164 105 1HB SER 13 2HB SER 13 1.984 -11.841 -1.961 106 2HB SER 13 3HB SER 13 0.279 -11.523 -1.563 107 HG SER 13 HG SER 13 0.706 -13.654 -2.424 108 H GLY 14 H GLY 14 -0.366 -12.200 -4.638 109 1HA GLY 14 2HA GLY 14 -2.267 -12.222 -5.978 110 2HA GLY 14 3HA GLY 14 -2.940 -11.054 -4.826 111 H MET 15 H MET 15 -0.769 -11.310 -7.704 112 HA MET 15 HA MET 15 -1.659 -8.667 -8.662 113 1HB MET 15 2HB MET 15 0.667 -7.902 -8.909 114 2HB MET 15 3HB MET 15 0.249 -8.216 -7.215 115 1HG MET 15 2HG MET 15 2.409 -9.004 -7.441 116 2HG MET 15 3HG MET 15 1.418 -10.460 -7.443 117 1HE MET 15 1HE MET 15 3.393 -11.913 -8.277 118 2HE MET 15 2HE MET 15 4.428 -11.496 -9.663 119 3HE MET 15 3HE MET 15 4.455 -10.483 -8.200 120 H THR 16 H THR 16 -1.171 -8.300 -10.896 121 HA THR 16 HA THR 16 -0.484 -10.665 -12.532 122 HB THR 16 HB THR 16 -1.181 -8.717 -14.287 123 HG1 THR 16 1HG THR 16 -2.225 -7.136 -13.315 124 1HG2 THR 16 1HG2 THR 16 -2.283 -10.878 -14.119 125 2HG2 THR 16 2HG2 THR 16 -3.099 -10.402 -12.614 126 3HG2 THR 16 3HG2 THR 16 -3.507 -9.599 -14.150 127 H CYS 17 H CYS 17 0.252 -7.114 -12.558 128 HA CYS 17 HA CYS 17 3.064 -7.685 -13.280 129 1HB CYS 17 2HB CYS 17 2.640 -6.129 -15.315 130 2HB CYS 17 3HB CYS 17 2.084 -7.802 -15.426 131 H ALA 18 H ALA 18 4.291 -5.684 -13.544 132 HA ALA 18 HA ALA 18 4.043 -4.142 -11.160 133 1HB ALA 18 1HB ALA 18 5.952 -3.827 -13.511 134 2HB ALA 18 2HB ALA 18 6.182 -3.179 -11.874 135 3HB ALA 18 3HB ALA 18 6.180 -4.931 -12.136 136 H ALA 19 H ALA 19 1.830 -3.632 -12.929 137 HA ALA 19 HA ALA 19 1.999 -0.659 -13.223 138 1HB ALA 19 1HB ALA 19 0.236 -2.634 -14.739 139 2HB ALA 19 2HB ALA 19 0.178 -0.863 -14.867 140 3HB ALA 19 3HB ALA 19 1.623 -1.747 -15.401 141 H CYS 20 H CYS 20 -0.063 -3.515 -12.354 142 HA CYS 20 HA CYS 20 -2.204 -1.924 -11.447 143 1HB CYS 20 2HB CYS 20 -1.507 -4.809 -10.688 144 2HB CYS 20 3HB CYS 20 -3.112 -4.053 -10.636 145 H ALA 21 H ALA 21 0.529 -3.386 -9.736 146 HA ALA 21 HA ALA 21 -0.172 -2.694 -7.109 147 1HB ALA 21 1HB ALA 21 2.651 -2.612 -8.220 148 2HB ALA 21 2HB ALA 21 2.100 -3.026 -6.572 149 3HB ALA 21 3HB ALA 21 1.770 -4.124 -7.906 150 H ALA 22 H ALA 22 0.874 -0.556 -9.770 151 HA ALA 22 HA ALA 22 1.489 1.701 -8.024 152 1HB ALA 22 1HB ALA 22 0.569 1.743 -10.927 153 2HB ALA 22 2HB ALA 22 1.364 3.035 -10.035 154 3HB ALA 22 3HB ALA 22 2.263 1.547 -10.412 155 H ARG 23 H ARG 23 -1.340 0.475 -9.840 156 HA ARG 23 HA ARG 23 -3.093 2.657 -9.298 157 1HB ARG 23 2HB ARG 23 -3.778 -0.283 -9.769 158 2HB ARG 23 3HB ARG 23 -4.916 1.041 -9.783 159 1HG ARG 23 2HG ARG 23 -2.562 0.661 -11.705 160 2HG ARG 23 3HG ARG 23 -4.264 0.363 -12.061 161 1HD ARG 23 2HD ARG 23 -2.936 3.038 -11.495 162 2HD ARG 23 3HD ARG 23 -3.644 2.482 -13.021 163 HE ARG 23 HE ARG 23 -5.738 2.297 -11.242 164 1HH1 ARG 23 2HH2 ARG 23 -3.673 4.888 -12.406 165 2HH1 ARG 23 1HH2 ARG 23 -4.795 6.173 -12.080 166 1HH2 ARG 23 2HH1 ARG 23 -7.263 3.958 -10.751 167 2HH2 ARG 23 1HH1 ARG 23 -6.917 5.611 -11.138 168 H ILE 24 H ILE 24 -2.577 -0.443 -7.506 169 HA ILE 24 HA ILE 24 -4.526 0.230 -5.564 170 HB ILE 24 HB ILE 24 -3.866 -1.399 -4.167 171 1HG1 ILE 24 2HG1 ILE 24 -1.169 -1.264 -5.398 172 2HG1 ILE 24 3HG1 ILE 24 -1.671 -0.990 -3.712 173 1HG2 ILE 24 1HG2 ILE 24 -4.013 -3.270 -5.538 174 2HG2 ILE 24 2HG2 ILE 24 -4.719 -1.995 -6.527 175 3HG2 ILE 24 3HG2 ILE 24 -3.059 -2.543 -6.854 176 1HD1 ILE 24 1HD1 ILE 24 -2.266 -3.428 -3.579 177 2HD1 ILE 24 2HD1 ILE 24 -1.529 -3.590 -5.204 178 3HD1 ILE 24 3HD1 ILE 24 -0.533 -3.101 -3.826 179 H GLU 25 H GLU 25 -0.952 0.719 -5.190 180 HA GLU 25 HA GLU 25 -1.111 2.217 -2.866 181 1HB GLU 25 2HB GLU 25 0.851 2.018 -5.094 182 2HB GLU 25 3HB GLU 25 0.987 3.462 -4.071 183 1HG GLU 25 2HG GLU 25 2.350 1.531 -3.255 184 2HG GLU 25 3HG GLU 25 1.205 2.143 -2.061 185 H LYS 26 H LYS 26 -1.703 3.476 -6.148 186 HA LYS 26 HA LYS 26 -1.736 6.221 -5.189 187 1HB LYS 26 2HB LYS 26 -2.403 4.970 -7.833 188 2HB LYS 26 3HB LYS 26 -2.972 6.592 -7.439 189 1HG LYS 26 2HG LYS 26 -0.947 6.971 -8.520 190 2HG LYS 26 3HG LYS 26 -0.588 7.246 -6.808 191 1HD LYS 26 2HD LYS 26 0.494 5.070 -6.638 192 2HD LYS 26 3HD LYS 26 -0.036 4.698 -8.290 193 1HE LYS 26 2HE LYS 26 1.323 6.523 -9.219 194 2HE LYS 26 3HE LYS 26 1.831 7.009 -7.592 195 1HZ LYS 26 1HZ LYS 26 2.464 4.426 -8.862 196 2HZ LYS 26 2HZ LYS 26 3.487 5.702 -8.725 197 3HZ LYS 26 3HZ LYS 26 2.966 4.925 -7.375 198 H GLY 27 H GLY 27 -4.270 3.765 -5.895 199 1HA GLY 27 2HA GLY 27 -6.513 5.470 -5.213 200 2HA GLY 27 3HA GLY 27 -6.501 3.703 -5.292 201 H LEU 28 H LEU 28 -4.295 3.385 -3.425 202 HA LEU 28 HA LEU 28 -5.737 3.283 -0.964 203 1HB LEU 28 2HB LEU 28 -4.095 1.627 -1.612 204 2HB LEU 28 3HB LEU 28 -2.824 2.840 -1.695 205 HG LEU 28 HG LEU 28 -2.729 1.261 0.218 206 1HD1 LEU 28 1HD1 LEU 28 -1.606 3.515 0.186 207 2HD1 LEU 28 2HD1 LEU 28 -2.976 4.148 1.116 208 3HD1 LEU 28 3HD1 LEU 28 -1.954 2.872 1.799 209 1HD2 LEU 28 1HD2 LEU 28 -4.176 1.706 2.168 210 2HD2 LEU 28 2HD2 LEU 28 -5.224 2.709 1.161 211 3HD2 LEU 28 3HD2 LEU 28 -4.990 0.986 0.774 212 H LYS 29 H LYS 29 -3.049 5.381 -2.198 213 HA LYS 29 HA LYS 29 -2.710 7.023 -0.022 214 1HB LYS 29 2HB LYS 29 -1.551 7.116 -2.326 215 2HB LYS 29 3HB LYS 29 -2.896 8.155 -2.829 216 1HG LYS 29 2HG LYS 29 -2.268 9.525 -0.626 217 2HG LYS 29 3HG LYS 29 -0.767 8.627 -0.724 218 1HD LYS 29 2HD LYS 29 -1.987 10.490 -2.828 219 2HD LYS 29 3HD LYS 29 -0.644 10.864 -1.760 220 1HE LYS 29 2HE LYS 29 0.415 8.661 -2.948 221 2HE LYS 29 3HE LYS 29 -0.705 9.149 -4.227 222 1HZ LYS 29 1HZ LYS 29 0.461 11.439 -3.899 223 2HZ LYS 29 2HZ LYS 29 1.603 10.551 -3.106 224 3HZ LYS 29 3HZ LYS 29 1.322 10.230 -4.641 225 H ARG 30 H ARG 30 -5.473 7.066 -2.240 226 HA ARG 30 HA ARG 30 -6.548 9.593 -1.511 227 1HB ARG 30 2HB ARG 30 -7.325 7.335 -3.151 228 2HB ARG 30 3HB ARG 30 -8.664 7.714 -2.101 229 1HG ARG 30 2HG ARG 30 -9.127 9.004 -3.910 230 2HG ARG 30 3HG ARG 30 -8.276 10.199 -2.922 231 1HD ARG 30 2HD ARG 30 -6.226 9.856 -4.248 232 2HD ARG 30 3HD ARG 30 -6.965 8.457 -5.062 233 HE ARG 30 HE ARG 30 -8.517 10.882 -5.391 234 1HH1 ARG 30 2HH2 ARG 30 -5.699 9.192 -6.641 235 2HH1 ARG 30 1HH2 ARG 30 -5.892 9.726 -8.285 236 1HH2 ARG 30 2HH1 ARG 30 -8.854 11.576 -7.570 237 2HH2 ARG 30 1HH1 ARG 30 -7.740 11.133 -8.817 238 H MET 31 H MET 31 -6.402 6.671 0.376 239 HA MET 31 HA MET 31 -8.874 6.922 1.762 240 1HB MET 31 2HB MET 31 -8.071 5.053 3.025 241 2HB MET 31 3HB MET 31 -7.386 4.887 1.416 242 1HG MET 31 2HG MET 31 -5.420 4.641 2.409 243 2HG MET 31 3HG MET 31 -5.429 6.351 2.744 244 1HE MET 31 1HE MET 31 -5.131 2.926 5.495 245 2HE MET 31 2HE MET 31 -6.172 2.718 4.055 246 3HE MET 31 3HE MET 31 -4.495 3.281 3.897 247 HA PRO 32 HA PRO 32 -7.746 9.876 4.925 248 1HB PRO 32 2HB PRO 32 -9.142 9.121 7.126 249 2HB PRO 32 3HB PRO 32 -9.930 9.751 5.651 250 1HG PRO 32 2HG PRO 32 -9.572 6.852 6.457 251 2HG PRO 32 3HG PRO 32 -11.046 7.677 5.886 252 1HD PRO 32 2HD PRO 32 -9.431 6.213 4.242 253 2HD PRO 32 3HD PRO 32 -10.304 7.654 3.644 254 H GLY 33 H GLY 33 -5.726 9.839 5.620 255 1HA GLY 33 2HA GLY 33 -4.477 9.460 7.709 256 2HA GLY 33 3HA GLY 33 -4.785 7.733 7.552 257 H VAL 34 H VAL 34 -4.263 7.611 4.610 258 HA VAL 34 HA VAL 34 -1.324 7.702 4.739 259 HB VAL 34 HB VAL 34 -3.184 6.833 2.519 260 1HG1 VAL 34 1HG1 VAL 34 -0.993 7.488 1.604 261 2HG1 VAL 34 2HG1 VAL 34 -0.160 6.534 2.844 262 3HG1 VAL 34 3HG1 VAL 34 -1.131 5.727 1.603 263 1HG2 VAL 34 1HG2 VAL 34 -3.150 5.444 4.726 264 2HG2 VAL 34 2HG2 VAL 34 -2.762 4.586 3.239 265 3HG2 VAL 34 3HG2 VAL 34 -1.479 5.060 4.333 266 H THR 35 H THR 35 0.020 9.095 3.599 267 HA THR 35 HA THR 35 -1.338 11.535 2.520 268 HB THR 35 HB THR 35 1.390 11.439 3.661 269 HG1 THR 35 1HG THR 35 -1.078 11.739 5.024 270 1HG2 THR 35 1HG2 THR 35 -0.691 13.643 3.300 271 2HG2 THR 35 2HG2 THR 35 0.849 13.850 4.152 272 3HG2 THR 35 3HG2 THR 35 0.843 13.458 2.426 273 H ASP 36 H ASP 36 1.431 9.257 2.081 274 HA ASP 36 HA ASP 36 1.187 9.760 -0.734 275 1HB ASP 36 2HB ASP 36 3.266 11.124 0.388 276 2HB ASP 36 3HB ASP 36 4.065 9.590 -0.002 277 H ALA 37 H ALA 37 2.568 8.116 -1.943 278 HA ALA 37 HA ALA 37 2.954 5.598 -0.606 279 1HB ALA 37 1HB ALA 37 1.095 4.323 -1.595 280 2HB ALA 37 2HB ALA 37 0.440 5.635 -0.604 281 3HB ALA 37 3HB ALA 37 0.475 5.790 -2.376 282 H ASN 38 H ASN 38 4.023 4.021 -1.837 283 HA ASN 38 HA ASN 38 4.666 4.693 -4.631 284 1HB ASN 38 2HB ASN 38 7.199 4.456 -3.395 285 2HB ASN 38 3HB ASN 38 6.493 5.855 -4.184 286 1HD2 ASN 38 1HD2 ASN 38 5.868 4.342 -0.936 287 2HD2 ASN 38 2HD2 ASN 38 6.238 5.831 -0.071 288 H VAL 39 H VAL 39 4.232 2.685 -5.384 289 HA VAL 39 HA VAL 39 5.030 0.351 -3.844 290 HB VAL 39 HB VAL 39 3.023 0.573 -5.409 291 1HG1 VAL 39 1HG1 VAL 39 5.077 -0.052 -7.578 292 2HG1 VAL 39 2HG1 VAL 39 3.327 0.011 -7.752 293 3HG1 VAL 39 3HG1 VAL 39 4.222 1.497 -7.392 294 1HG2 VAL 39 1HG2 VAL 39 4.625 -1.653 -4.663 295 2HG2 VAL 39 2HG2 VAL 39 2.916 -1.599 -5.080 296 3HG2 VAL 39 3HG2 VAL 39 4.124 -1.900 -6.347 297 H ASN 40 H ASN 40 6.948 -0.894 -4.164 298 HA ASN 40 HA ASN 40 8.886 0.143 -6.188 299 1HB ASN 40 2HB ASN 40 9.377 0.918 -3.840 300 2HB ASN 40 3HB ASN 40 9.554 -0.780 -3.367 301 1HD2 ASN 40 1HD2 ASN 40 11.744 0.635 -2.884 302 2HD2 ASN 40 2HD2 ASN 40 12.966 0.409 -4.124 303 H LEU 41 H LEU 41 7.224 -1.625 -6.966 304 HA LEU 41 HA LEU 41 7.806 -4.358 -6.416 305 1HB LEU 41 2HB LEU 41 6.119 -2.805 -8.245 306 2HB LEU 41 3HB LEU 41 6.802 -4.189 -9.071 307 HG LEU 41 HG LEU 41 4.548 -4.440 -7.966 308 1HD1 LEU 41 1HD1 LEU 41 5.769 -6.349 -8.842 309 2HD1 LEU 41 2HD1 LEU 41 6.717 -6.479 -7.348 310 3HD1 LEU 41 3HD1 LEU 41 4.969 -6.793 -7.324 311 1HD2 LEU 41 1HD2 LEU 41 5.947 -5.183 -5.398 312 2HD2 LEU 41 2HD2 LEU 41 5.526 -3.492 -5.670 313 3HD2 LEU 41 3HD2 LEU 41 4.261 -4.739 -5.699 314 H ALA 42 H ALA 42 9.504 -1.996 -8.285 315 HA ALA 42 HA ALA 42 11.159 -3.578 -9.904 316 1HB ALA 42 1HB ALA 42 11.952 -1.212 -8.166 317 2HB ALA 42 2HB ALA 42 12.858 -1.854 -9.545 318 3HB ALA 42 3HB ALA 42 11.264 -1.109 -9.808 319 H THR 43 H THR 43 11.209 -3.180 -6.320 320 HA THR 43 HA THR 43 13.197 -5.408 -6.261 321 HB THR 43 HB THR 43 14.168 -3.357 -5.412 322 HG1 THR 43 1HG THR 43 13.668 -5.466 -3.603 323 1HG2 THR 43 1HG2 THR 43 13.498 -2.360 -3.330 324 2HG2 THR 43 2HG2 THR 43 12.036 -2.438 -4.331 325 3HG2 THR 43 3HG2 THR 43 12.279 -3.609 -3.028 326 H GLU 44 H GLU 44 10.228 -5.408 -6.513 327 HA GLU 44 HA GLU 44 8.461 -6.510 -5.808 328 1HB GLU 44 2HB GLU 44 10.759 -8.140 -5.396 329 2HB GLU 44 3HB GLU 44 9.684 -8.488 -4.057 330 1HG GLU 44 2HG GLU 44 7.873 -9.024 -5.624 331 2HG GLU 44 3HG GLU 44 8.850 -8.454 -6.996 332 H THR 45 H THR 45 9.311 -4.194 -3.966 333 HA THR 45 HA THR 45 7.871 -5.043 -1.495 334 HB THR 45 HB THR 45 10.084 -2.994 -1.931 335 HG1 THR 45 1HG THR 45 10.149 -5.707 -1.095 336 1HG2 THR 45 1HG2 THR 45 9.051 -4.251 0.628 337 2HG2 THR 45 2HG2 THR 45 10.424 -3.139 0.476 338 3HG2 THR 45 3HG2 THR 45 8.791 -2.554 0.122 339 H VAL 46 H VAL 46 6.699 -3.189 -0.408 340 HA VAL 46 HA VAL 46 5.979 -0.941 -2.245 341 HB VAL 46 HB VAL 46 4.130 -2.489 -2.323 342 1HG1 VAL 46 1HG1 VAL 46 2.841 -3.139 -0.320 343 2HG1 VAL 46 2HG1 VAL 46 4.495 -3.741 -0.178 344 3HG1 VAL 46 3HG1 VAL 46 3.993 -2.278 0.706 345 1HG2 VAL 46 1HG2 VAL 46 2.326 -1.146 -1.448 346 2HG2 VAL 46 2HG2 VAL 46 3.419 -0.180 -0.459 347 3HG2 VAL 46 3HG2 VAL 46 3.538 -0.114 -2.233 348 H ASN 47 H ASN 47 5.650 1.133 -1.217 349 HA ASN 47 HA ASN 47 6.201 1.159 1.687 350 1HB ASN 47 2HB ASN 47 7.445 2.838 -0.548 351 2HB ASN 47 3HB ASN 47 7.354 3.426 1.114 352 1HD2 ASN 47 1HD2 ASN 47 8.270 1.875 2.838 353 2HD2 ASN 47 2HD2 ASN 47 9.882 1.319 2.410 354 H VAL 48 H VAL 48 4.772 2.685 2.785 355 HA VAL 48 HA VAL 48 3.026 4.365 1.133 356 HB VAL 48 HB VAL 48 1.338 3.690 2.957 357 1HG1 VAL 48 1HG1 VAL 48 0.805 3.257 0.667 358 2HG1 VAL 48 2HG1 VAL 48 2.014 1.959 0.554 359 3HG1 VAL 48 3HG1 VAL 48 0.545 1.723 1.514 360 1HG2 VAL 48 1HG2 VAL 48 1.405 1.418 3.750 361 2HG2 VAL 48 2HG2 VAL 48 2.852 1.097 2.796 362 3HG2 VAL 48 3HG2 VAL 48 2.942 2.179 4.212 363 H ILE 49 H ILE 49 2.954 6.351 1.987 364 HA ILE 49 HA ILE 49 4.613 6.847 4.370 365 HB ILE 49 HB ILE 49 3.739 8.812 2.234 366 1HG1 ILE 49 2HG1 ILE 49 4.924 7.209 0.960 367 2HG1 ILE 49 3HG1 ILE 49 5.962 8.611 1.194 368 1HG2 ILE 49 1HG2 ILE 49 6.275 9.228 3.736 369 2HG2 ILE 49 2HG2 ILE 49 5.044 10.367 3.190 370 3HG2 ILE 49 3HG2 ILE 49 4.774 9.403 4.649 371 1HD1 ILE 49 1HD1 ILE 49 6.191 5.965 2.698 372 2HD1 ILE 49 2HD1 ILE 49 7.275 6.571 1.434 373 3HD1 ILE 49 3HD1 ILE 49 7.192 7.401 2.979 374 H TYR 50 H TYR 50 3.146 6.861 6.111 375 HA TYR 50 HA TYR 50 0.606 8.414 5.809 376 1HB TYR 50 2HB TYR 50 -0.703 6.602 6.712 377 2HB TYR 50 3HB TYR 50 0.117 6.133 5.238 378 HD1 TYR 50 HD1 TYR 50 1.383 4.137 5.149 379 HD2 TYR 50 HD2 TYR 50 0.178 5.757 8.938 380 HE1 TYR 50 HE1 TYR 50 1.781 1.939 6.224 381 HE2 TYR 50 HE2 TYR 50 0.842 3.651 10.049 382 HH TYR 50 HH TYR 50 1.671 0.731 8.166 383 H ASP 51 H ASP 51 -0.550 8.547 7.891 384 HA ASP 51 HA ASP 51 1.403 9.321 9.999 385 1HB ASP 51 2HB ASP 51 -0.198 11.008 9.516 386 2HB ASP 51 3HB ASP 51 -1.541 9.877 9.667 387 HA PRO 52 HA PRO 52 0.174 5.257 11.589 388 1HB PRO 52 2HB PRO 52 2.220 4.682 13.229 389 2HB PRO 52 3HB PRO 52 2.416 4.705 11.463 390 1HG PRO 52 2HG PRO 52 3.025 6.987 13.399 391 2HG PRO 52 3HG PRO 52 4.096 6.321 12.128 392 1HD PRO 52 2HD PRO 52 2.581 8.532 11.716 393 2HD PRO 52 3HD PRO 52 2.915 7.337 10.425 394 H ALA 53 H ALA 53 -0.215 8.293 12.990 395 HA ALA 53 HA ALA 53 -1.019 7.262 15.639 396 1HB ALA 53 1HB ALA 53 0.082 9.508 15.400 397 2HB ALA 53 2HB ALA 53 -1.297 10.027 14.402 398 3HB ALA 53 3HB ALA 53 -1.555 9.565 16.092 399 H GLU 54 H GLU 54 -2.171 7.946 12.352 400 HA GLU 54 HA GLU 54 -4.960 7.821 13.307 401 1HB GLU 54 2HB GLU 54 -3.788 9.670 11.557 402 2HB GLU 54 3HB GLU 54 -4.590 8.536 10.467 403 1HG GLU 54 2HG GLU 54 -6.674 8.788 11.939 404 2HG GLU 54 3HG GLU 54 -5.823 10.117 12.750 405 H THR 55 H THR 55 -2.848 6.794 10.669 406 HA THR 55 HA THR 55 -4.264 4.237 10.416 407 HB THR 55 HB THR 55 -2.600 4.173 8.198 408 HG1 THR 55 1HG THR 55 -3.245 6.846 8.708 409 1HG2 THR 55 1HG2 THR 55 -4.985 3.726 8.348 410 2HG2 THR 55 2HG2 THR 55 -5.349 5.469 8.546 411 3HG2 THR 55 3HG2 THR 55 -4.606 4.865 7.038 412 H GLY 56 H GLY 56 -2.431 2.691 9.410 413 1HA GLY 56 2HA GLY 56 -0.267 1.873 10.917 414 2HA GLY 56 3HA GLY 56 -1.776 1.367 11.730 415 H THR 57 H THR 57 -2.026 -0.726 10.994 416 HA THR 57 HA THR 57 -1.507 -1.598 8.244 417 HB THR 57 HB THR 57 -2.070 -3.799 9.381 418 HG1 THR 57 1HG THR 57 -2.473 -3.728 11.557 419 1HG2 THR 57 1HG2 THR 57 0.043 -3.837 10.725 420 2HG2 THR 57 2HG2 THR 57 0.291 -2.942 9.213 421 3HG2 THR 57 3HG2 THR 57 0.105 -2.065 10.739 422 H ALA 58 H ALA 58 -3.977 -0.890 10.613 423 HA ALA 58 HA ALA 58 -6.017 -2.362 9.942 424 1HB ALA 58 1HB ALA 58 -6.237 0.535 10.819 425 2HB ALA 58 2HB ALA 58 -7.517 -0.688 10.964 426 3HB ALA 58 3HB ALA 58 -6.006 -0.876 11.873 427 H ALA 59 H ALA 59 -5.651 0.809 8.516 428 HA ALA 59 HA ALA 59 -8.146 0.310 6.929 429 1HB ALA 59 1HB ALA 59 -6.481 2.807 7.140 430 2HB ALA 59 2HB ALA 59 -7.874 2.607 6.056 431 3HB ALA 59 3HB ALA 59 -8.077 2.488 7.814 432 H ILE 60 H ILE 60 -4.684 0.267 6.599 433 HA ILE 60 HA ILE 60 -4.531 0.232 3.768 434 HB ILE 60 HB ILE 60 -2.698 -0.427 6.056 435 1HG1 ILE 60 2HG1 ILE 60 -2.378 1.007 3.422 436 2HG1 ILE 60 3HG1 ILE 60 -3.139 1.784 4.813 437 1HG2 ILE 60 1HG2 ILE 60 -0.952 -1.272 4.482 438 2HG2 ILE 60 2HG2 ILE 60 -2.279 -2.404 4.622 439 3HG2 ILE 60 3HG2 ILE 60 -2.164 -1.359 3.192 440 1HD1 ILE 60 1HD1 ILE 60 -0.745 2.408 4.565 441 2HD1 ILE 60 2HD1 ILE 60 -1.199 1.748 6.143 442 3HD1 ILE 60 3HD1 ILE 60 -0.307 0.738 4.995 443 H GLN 61 H GLN 61 -4.659 -2.538 6.085 444 HA GLN 61 HA GLN 61 -4.591 -4.471 3.979 445 1HB GLN 61 2HB GLN 61 -5.112 -4.486 6.865 446 2HB GLN 61 3HB GLN 61 -6.186 -5.560 5.958 447 1HG GLN 61 2HG GLN 61 -4.581 -7.046 6.371 448 2HG GLN 61 3HG GLN 61 -4.009 -6.462 4.812 449 1HE2 GLN 61 1HE2 GLN 61 -2.951 -3.884 5.914 450 2HE2 GLN 61 2HE2 GLN 61 -1.518 -4.348 6.819 451 H GLU 62 H GLU 62 -7.285 -2.830 5.657 452 HA GLU 62 HA GLU 62 -9.459 -4.076 4.477 453 1HB GLU 62 2HB GLU 62 -9.093 -1.938 6.211 454 2HB GLU 62 3HB GLU 62 -9.747 -1.118 4.794 455 1HG GLU 62 2HG GLU 62 -10.988 -3.477 6.277 456 2HG GLU 62 3HG GLU 62 -11.515 -1.791 6.360 457 H LYS 63 H LYS 63 -7.797 -1.090 3.270 458 HA LYS 63 HA LYS 63 -9.283 -0.993 0.875 459 1HB LYS 63 2HB LYS 63 -6.769 0.248 1.986 460 2HB LYS 63 3HB LYS 63 -7.175 0.475 0.306 461 1HG LYS 63 2HG LYS 63 -9.007 1.266 2.600 462 2HG LYS 63 3HG LYS 63 -7.810 2.314 1.831 463 1HD LYS 63 2HD LYS 63 -9.816 2.946 0.890 464 2HD LYS 63 3HD LYS 63 -8.958 2.061 -0.372 465 1HE LYS 63 2HE LYS 63 -10.487 0.284 -0.353 466 2HE LYS 63 3HE LYS 63 -10.960 0.555 1.345 467 1HZ LYS 63 1HZ LYS 63 -12.167 2.481 0.621 468 2HZ LYS 63 2HZ LYS 63 -11.730 2.225 -0.950 469 3HZ LYS 63 3HZ LYS 63 -12.680 1.137 -0.165 470 H ILE 64 H ILE 64 -6.114 -2.485 1.644 471 HA ILE 64 HA ILE 64 -5.110 -3.095 -0.869 472 HB ILE 64 HB ILE 64 -4.958 -4.092 1.891 473 1HG1 ILE 64 2HG1 ILE 64 -3.597 -2.218 1.091 474 2HG1 ILE 64 3HG1 ILE 64 -2.697 -3.607 1.694 475 1HG2 ILE 64 1HG2 ILE 64 -4.049 -5.833 -0.360 476 2HG2 ILE 64 2HG2 ILE 64 -3.400 -5.891 1.304 477 3HG2 ILE 64 3HG2 ILE 64 -5.111 -6.208 1.019 478 1HD1 ILE 64 1HD1 ILE 64 -3.007 -2.685 -1.157 479 2HD1 ILE 64 2HD1 ILE 64 -1.538 -2.939 -0.192 480 3HD1 ILE 64 3HD1 ILE 64 -2.485 -4.335 -0.761 481 H GLU 65 H GLU 65 -7.319 -4.989 1.268 482 HA GLU 65 HA GLU 65 -8.025 -7.060 -0.512 483 1HB GLU 65 2HB GLU 65 -9.404 -5.718 1.813 484 2HB GLU 65 3HB GLU 65 -10.183 -7.043 0.939 485 1HG GLU 65 2HG GLU 65 -7.383 -7.314 2.052 486 2HG GLU 65 3HG GLU 65 -8.790 -7.529 3.096 487 H LYS 66 H LYS 66 -9.872 -3.977 0.097 488 HA LYS 66 HA LYS 66 -11.853 -4.556 -1.890 489 1HB LYS 66 2HB LYS 66 -10.976 -2.051 -0.465 490 2HB LYS 66 3HB LYS 66 -11.953 -1.895 -1.918 491 1HG LYS 66 2HG LYS 66 -13.491 -1.828 -0.214 492 2HG LYS 66 3HG LYS 66 -13.698 -3.432 -0.910 493 1HD LYS 66 2HD LYS 66 -11.904 -2.925 1.478 494 2HD LYS 66 3HD LYS 66 -13.630 -3.023 1.723 495 1HE LYS 66 2HE LYS 66 -13.781 -5.288 1.100 496 2HE LYS 66 3HE LYS 66 -12.204 -5.308 0.311 497 1HZ LYS 66 1HZ LYS 66 -12.607 -4.934 3.203 498 2HZ LYS 66 2HZ LYS 66 -12.095 -6.338 2.486 499 3HZ LYS 66 3HZ LYS 66 -11.183 -4.952 2.451 500 H LEU 67 H LEU 67 -8.705 -3.016 -2.231 501 HA LEU 67 HA LEU 67 -9.049 -2.127 -4.953 502 1HB LEU 67 2HB LEU 67 -6.628 -2.569 -3.197 503 2HB LEU 67 3HB LEU 67 -6.527 -1.925 -4.836 504 HG LEU 67 HG LEU 67 -8.330 -0.609 -2.764 505 1HD1 LEU 67 1HD1 LEU 67 -6.013 -0.727 -1.852 506 2HD1 LEU 67 2HD1 LEU 67 -5.430 0.080 -3.317 507 3HD1 LEU 67 3HD1 LEU 67 -6.535 0.928 -2.221 508 1HD2 LEU 67 1HD2 LEU 67 -8.696 0.086 -5.106 509 2HD2 LEU 67 2HD2 LEU 67 -7.952 1.390 -4.173 510 3HD2 LEU 67 3HD2 LEU 67 -6.963 0.427 -5.286 511 H GLY 68 H GLY 68 -8.534 -5.234 -3.498 512 1HA GLY 68 2HA GLY 68 -8.780 -7.230 -4.593 513 2HA GLY 68 3HA GLY 68 -8.468 -6.463 -6.156 514 H TYR 69 H TYR 69 -6.439 -6.264 -3.164 515 HA TYR 69 HA TYR 69 -4.301 -7.856 -4.523 516 1HB TYR 69 2HB TYR 69 -4.397 -5.002 -3.861 517 2HB TYR 69 3HB TYR 69 -3.121 -5.795 -2.966 518 HD1 TYR 69 HD1 TYR 69 -4.567 -5.522 -6.414 519 HD2 TYR 69 HD2 TYR 69 -1.093 -6.407 -4.026 520 HE1 TYR 69 HE1 TYR 69 -3.166 -5.333 -8.403 521 HE2 TYR 69 HE2 TYR 69 0.331 -6.114 -6.001 522 HH TYR 69 HH TYR 69 0.393 -5.843 -8.290 523 H HIS 70 H HIS 70 -2.476 -8.280 -2.860 524 HA HIS 70 HA HIS 70 -3.424 -8.270 -0.093 525 1HB HIS 70 2HB HIS 70 -3.973 -10.521 -1.239 526 2HB HIS 70 3HB HIS 70 -2.230 -10.806 -1.264 527 HD1 HIS 70 1HD HIS 70 -3.470 -9.133 1.926 528 HD2 HIS 70 2HD HIS 70 -3.181 -12.993 0.279 529 HE1 HIS 70 1HE HIS 70 -3.681 -10.766 3.858 530 H VAL 71 H VAL 71 -1.435 -8.961 1.344 531 HA VAL 71 HA VAL 71 1.065 -7.811 0.319 532 HB VAL 71 HB VAL 71 -0.700 -6.710 2.525 533 1HG1 VAL 71 1HG1 VAL 71 0.992 -5.196 3.217 534 2HG1 VAL 71 2HG1 VAL 71 1.692 -6.810 3.350 535 3HG1 VAL 71 3HG1 VAL 71 2.119 -5.760 1.973 536 1HG2 VAL 71 1HG2 VAL 71 -1.166 -5.773 0.317 537 2HG2 VAL 71 2HG2 VAL 71 -0.371 -4.550 1.319 538 3HG2 VAL 71 3HG2 VAL 71 0.551 -5.407 0.069 539 H VAL 72 H VAL 72 2.804 -8.508 1.603 540 HA VAL 72 HA VAL 72 2.199 -10.751 3.464 541 HB VAL 72 HB VAL 72 4.517 -10.701 1.608 542 1HG1 VAL 72 1HG1 VAL 72 4.727 -12.148 3.602 543 2HG1 VAL 72 2HG1 VAL 72 3.180 -12.929 3.201 544 3HG1 VAL 72 3HG1 VAL 72 4.584 -13.126 2.135 545 1HG2 VAL 72 1HG2 VAL 72 3.267 -12.417 0.244 546 2HG2 VAL 72 2HG2 VAL 72 1.805 -12.030 1.177 547 3HG2 VAL 72 3HG2 VAL 72 2.565 -10.800 0.139 548 H ILE 73 H ILE 73 3.369 -10.748 5.274 549 HA ILE 73 HA ILE 73 5.199 -8.433 5.825 550 HB ILE 73 HB ILE 73 3.405 -9.914 7.760 551 1HG1 ILE 73 2HG1 ILE 73 1.990 -8.595 6.296 552 2HG1 ILE 73 3HG1 ILE 73 2.127 -7.844 7.880 553 1HG2 ILE 73 1HG2 ILE 73 4.046 -7.994 9.263 554 2HG2 ILE 73 2HG2 ILE 73 5.385 -9.065 8.856 555 3HG2 ILE 73 3HG2 ILE 73 5.257 -7.502 8.054 556 1HD1 ILE 73 1HD1 ILE 73 3.553 -6.929 5.366 557 2HD1 ILE 73 2HD1 ILE 73 2.185 -6.142 6.155 558 3HD1 ILE 73 3HD1 ILE 73 3.755 -6.188 6.970 559 H GLU 74 H GLU 74 6.761 -9.915 4.748 560 HA GLU 74 HA GLU 74 7.425 -12.318 5.985 561 1HB GLU 74 2HB GLU 74 7.763 -11.343 3.539 562 2HB GLU 74 3HB GLU 74 9.414 -11.108 4.143 563 1HG GLU 74 2HG GLU 74 7.881 -13.761 4.252 564 2HG GLU 74 3HG GLU 74 8.858 -13.261 2.871 565 H GLY 75 H GLY 75 7.904 -9.346 7.021 566 1HA GLY 75 2HA GLY 75 10.155 -10.016 8.867 567 2HA GLY 75 3HA GLY 75 10.100 -8.444 8.044 568 H ARG 76 H ARG 76 7.879 -10.647 9.790 569 HA ARG 76 HA ARG 76 6.324 -8.482 10.961 570 1HB ARG 76 2HB ARG 76 5.524 -10.911 10.419 571 2HB ARG 76 3HB ARG 76 6.431 -11.368 11.868 572 1HG ARG 76 2HG ARG 76 4.956 -9.236 12.824 573 2HG ARG 76 3HG ARG 76 3.868 -9.840 11.569 574 1HD ARG 76 2HD ARG 76 3.945 -12.093 12.625 575 2HD ARG 76 3HD ARG 76 5.128 -11.469 13.813 576 HE ARG 76 HE ARG 76 2.783 -9.843 13.835 577 1HH1 ARG 76 2HH2 ARG 76 3.937 -12.990 14.881 578 2HH1 ARG 76 1HH2 ARG 76 2.907 -13.112 16.275 579 1HH2 ARG 76 2HH1 ARG 76 1.377 -9.940 15.673 580 2HH2 ARG 76 1HH1 ARG 76 1.398 -11.318 16.724 Start of MODEL 21 1 1H MET 1 H1 MET 1 -0.819 20.041 12.571 2 2H MET 1 H2 MET 1 -1.855 21.233 13.088 3 3H MET 1 H3 MET 1 -0.553 20.761 14.019 4 HA MET 1 HA MET 1 -2.635 19.928 14.863 5 1HB MET 1 2HB MET 1 -2.431 18.187 12.356 6 2HB MET 1 3HB MET 1 -3.487 17.869 13.747 7 1HG MET 1 2HG MET 1 -4.651 19.986 13.427 8 2HG MET 1 3HG MET 1 -3.716 20.288 11.948 9 1HE MET 1 1HE MET 1 -6.117 20.653 10.778 10 2HE MET 1 2HE MET 1 -7.378 19.398 10.750 11 3HE MET 1 3HE MET 1 -6.964 20.201 12.281 12 H LEU 2 H LEU 2 -2.017 16.841 14.417 13 HA LEU 2 HA LEU 2 0.611 16.675 15.725 14 1HB LEU 2 2HB LEU 2 -0.471 15.480 17.681 15 2HB LEU 2 3HB LEU 2 -0.653 17.218 17.598 16 HG LEU 2 HG LEU 2 -2.983 16.231 16.277 17 1HD1 LEU 2 1HD1 LEU 2 -2.563 13.995 17.190 18 2HD1 LEU 2 2HD1 LEU 2 -2.474 14.675 18.832 19 3HD1 LEU 2 3HD1 LEU 2 -3.993 14.750 17.912 20 1HD2 LEU 2 1HD2 LEU 2 -2.787 18.251 17.694 21 2HD2 LEU 2 2HD2 LEU 2 -4.130 17.211 18.195 22 3HD2 LEU 2 3HD2 LEU 2 -2.621 17.217 19.131 23 H SER 3 H SER 3 -0.282 15.882 13.199 24 HA SER 3 HA SER 3 -0.456 12.916 13.340 25 1HB SER 3 2HB SER 3 -0.646 14.712 10.885 26 2HB SER 3 3HB SER 3 -1.139 13.035 11.050 27 HG SER 3 HG SER 3 -2.810 13.694 12.401 28 H GLU 4 H GLU 4 1.704 12.332 13.849 29 HA GLU 4 HA GLU 4 3.963 13.425 12.327 30 1HB GLU 4 2HB GLU 4 3.569 11.358 14.412 31 2HB GLU 4 3HB GLU 4 4.839 11.052 13.256 32 1HG GLU 4 2HG GLU 4 5.670 13.367 13.772 33 2HG GLU 4 3HG GLU 4 4.576 13.315 15.162 34 H GLN 5 H GLN 5 5.164 11.710 10.971 35 HA GLN 5 HA GLN 5 3.296 10.001 9.391 36 1HB GLN 5 2HB GLN 5 5.484 11.850 8.425 37 2HB GLN 5 3HB GLN 5 4.737 10.590 7.455 38 1HG GLN 5 2HG GLN 5 2.700 12.350 8.637 39 2HG GLN 5 3HG GLN 5 3.897 13.277 7.737 40 1HE2 GLN 5 1HE2 GLN 5 2.636 9.973 7.161 41 2HE2 GLN 5 2HE2 GLN 5 1.930 10.339 5.604 42 H LYS 6 H LYS 6 4.272 8.041 8.703 43 HA LYS 6 HA LYS 6 7.142 7.880 8.776 44 1HB LYS 6 2HB LYS 6 5.559 5.979 10.539 45 2HB LYS 6 3HB LYS 6 7.177 5.625 9.926 46 1HG LYS 6 2HG LYS 6 7.970 7.823 10.895 47 2HG LYS 6 3HG LYS 6 6.446 7.915 11.790 48 1HD LYS 6 2HD LYS 6 8.435 5.607 11.950 49 2HD LYS 6 3HD LYS 6 8.413 7.006 13.041 50 1HE LYS 6 2HE LYS 6 6.045 6.465 13.676 51 2HE LYS 6 3HE LYS 6 6.132 4.997 12.680 52 1HZ LYS 6 1HZ LYS 6 7.826 5.613 15.010 53 2HZ LYS 6 2HZ LYS 6 6.567 4.557 14.991 54 3HZ LYS 6 3HZ LYS 6 7.917 4.239 14.102 55 H GLU 7 H GLU 7 8.012 6.167 7.746 56 HA GLU 7 HA GLU 7 6.432 5.101 5.508 57 1HB GLU 7 2HB GLU 7 9.382 4.638 5.693 58 2HB GLU 7 3HB GLU 7 8.363 5.074 4.322 59 1HG GLU 7 2HG GLU 7 9.696 6.938 4.576 60 2HG GLU 7 3HG GLU 7 8.288 7.462 5.500 61 H ILE 8 H ILE 8 6.363 2.903 5.127 62 HA ILE 8 HA ILE 8 7.584 0.981 7.034 63 HB ILE 8 HB ILE 8 5.287 -0.274 6.223 64 1HG1 ILE 8 2HG1 ILE 8 4.447 1.885 5.178 65 2HG1 ILE 8 3HG1 ILE 8 3.376 0.894 6.159 66 1HG2 ILE 8 1HG2 ILE 8 6.102 -0.347 8.417 67 2HG2 ILE 8 2HG2 ILE 8 5.665 1.358 8.682 68 3HG2 ILE 8 3HG2 ILE 8 4.386 0.131 8.411 69 1HD1 ILE 8 1HD1 ILE 8 3.324 3.389 6.703 70 2HD1 ILE 8 2HD1 ILE 8 3.505 2.213 8.034 71 3HD1 ILE 8 3HD1 ILE 8 4.889 3.140 7.479 72 H ALA 9 H ALA 9 7.986 -1.129 5.925 73 HA ALA 9 HA ALA 9 8.035 -0.974 2.958 74 1HB ALA 9 1HB ALA 9 10.341 -1.805 2.976 75 2HB ALA 9 2HB ALA 9 10.273 -0.258 3.850 76 3HB ALA 9 3HB ALA 9 10.370 -1.769 4.753 77 H MET 10 H MET 10 7.207 -2.886 2.122 78 HA MET 10 HA MET 10 7.407 -5.371 3.686 79 1HB MET 10 2HB MET 10 5.041 -5.613 4.087 80 2HB MET 10 3HB MET 10 5.523 -4.046 4.720 81 1HG MET 10 2HG MET 10 4.907 -3.355 2.164 82 2HG MET 10 3HG MET 10 3.835 -4.733 2.361 83 1HE MET 10 1HE MET 10 3.735 -0.612 4.363 84 2HE MET 10 2HE MET 10 5.144 -1.704 4.488 85 3HE MET 10 3HE MET 10 4.636 -1.079 2.905 86 H GLN 11 H GLN 11 5.734 -7.015 2.514 87 HA GLN 11 HA GLN 11 6.734 -7.084 -0.286 88 1HB GLN 11 2HB GLN 11 5.994 -9.136 1.839 89 2HB GLN 11 3HB GLN 11 6.110 -9.610 0.145 90 1HG GLN 11 2HG GLN 11 8.291 -8.426 1.937 91 2HG GLN 11 3HG GLN 11 8.192 -10.099 1.358 92 1HE2 GLN 11 1HE2 GLN 11 7.525 -9.793 -1.302 93 2HE2 GLN 11 2HE2 GLN 11 8.576 -8.658 -2.125 94 H VAL 12 H VAL 12 5.274 -8.158 -1.866 95 HA VAL 12 HA VAL 12 2.466 -7.166 -1.531 96 HB VAL 12 HB VAL 12 4.218 -7.311 -4.021 97 1HG1 VAL 12 1HG1 VAL 12 1.407 -6.198 -3.577 98 2HG1 VAL 12 2HG1 VAL 12 2.396 -5.879 -5.014 99 3HG1 VAL 12 3HG1 VAL 12 1.870 -7.522 -4.671 100 1HG2 VAL 12 1HG2 VAL 12 4.132 -4.805 -3.873 101 2HG2 VAL 12 2HG2 VAL 12 3.329 -4.970 -2.305 102 3HG2 VAL 12 3HG2 VAL 12 5.007 -5.526 -2.520 103 H SER 13 H SER 13 0.759 -8.438 -2.670 104 HA SER 13 HA SER 13 1.553 -10.858 -4.057 105 1HB SER 13 2HB SER 13 0.170 -10.967 -1.360 106 2HB SER 13 3HB SER 13 -0.108 -12.231 -2.565 107 HG SER 13 HG SER 13 2.525 -11.462 -1.942 108 H GLY 14 H GLY 14 -0.468 -12.006 -4.867 109 1HA GLY 14 2HA GLY 14 -2.302 -11.870 -6.255 110 2HA GLY 14 3HA GLY 14 -2.938 -10.612 -5.180 111 H MET 15 H MET 15 -0.251 -11.020 -7.582 112 HA MET 15 HA MET 15 -0.983 -8.511 -8.916 113 1HB MET 15 2HB MET 15 1.270 -7.587 -8.664 114 2HB MET 15 3HB MET 15 0.510 -7.849 -7.093 115 1HG MET 15 2HG MET 15 2.699 -8.503 -6.771 116 2HG MET 15 3HG MET 15 1.849 -10.036 -6.949 117 1HE MET 15 1HE MET 15 5.461 -10.688 -8.347 118 2HE MET 15 2HE MET 15 5.006 -9.631 -6.991 119 3HE MET 15 3HE MET 15 4.214 -11.215 -7.191 120 H THR 16 H THR 16 0.425 -8.194 -10.831 121 HA THR 16 HA THR 16 1.848 -10.532 -11.873 122 HB THR 16 HB THR 16 0.579 -9.985 -14.160 123 HG1 THR 16 1HG THR 16 -1.430 -9.563 -12.205 124 1HG2 THR 16 1HG2 THR 16 -0.573 -11.818 -12.014 125 2HG2 THR 16 2HG2 THR 16 -0.944 -11.874 -13.745 126 3HG2 THR 16 3HG2 THR 16 0.699 -12.212 -13.184 127 H CYS 17 H CYS 17 0.569 -7.352 -13.086 128 HA CYS 17 HA CYS 17 3.343 -6.777 -13.989 129 1HB CYS 17 2HB CYS 17 2.488 -5.302 -15.559 130 2HB CYS 17 3HB CYS 17 1.455 -6.732 -15.655 131 H ALA 18 H ALA 18 4.338 -4.799 -13.576 132 HA ALA 18 HA ALA 18 3.781 -3.651 -10.951 133 1HB ALA 18 1HB ALA 18 5.867 -2.934 -13.049 134 2HB ALA 18 2HB ALA 18 5.843 -2.397 -11.356 135 3HB ALA 18 3HB ALA 18 6.078 -4.115 -11.738 136 H ALA 19 H ALA 19 1.553 -3.221 -12.476 137 HA ALA 19 HA ALA 19 1.548 -0.255 -12.757 138 1HB ALA 19 1HB ALA 19 0.186 -2.056 -14.791 139 2HB ALA 19 2HB ALA 19 0.251 -0.289 -14.765 140 3HB ALA 19 3HB ALA 19 1.734 -1.220 -15.055 141 H CYS 20 H CYS 20 -0.645 -3.199 -12.784 142 HA CYS 20 HA CYS 20 -2.719 -1.868 -11.374 143 1HB CYS 20 2HB CYS 20 -1.892 -4.802 -10.995 144 2HB CYS 20 3HB CYS 20 -3.483 -4.077 -10.705 145 H ALA 21 H ALA 21 0.254 -3.447 -10.287 146 HA ALA 21 HA ALA 21 -0.092 -3.211 -7.524 147 1HB ALA 21 1HB ALA 21 1.751 -4.372 -8.937 148 2HB ALA 21 2HB ALA 21 2.583 -2.803 -8.880 149 3HB ALA 21 3HB ALA 21 2.181 -3.684 -7.380 150 H ALA 22 H ALA 22 0.346 -0.569 -9.812 151 HA ALA 22 HA ALA 22 1.227 1.381 -7.806 152 1HB ALA 22 1HB ALA 22 -0.015 1.807 -10.551 153 2HB ALA 22 2HB ALA 22 0.849 2.995 -9.566 154 3HB ALA 22 3HB ALA 22 1.732 1.617 -10.262 155 H ARG 23 H ARG 23 -1.765 0.106 -9.245 156 HA ARG 23 HA ARG 23 -3.444 2.323 -8.646 157 1HB ARG 23 2HB ARG 23 -4.149 -0.618 -9.022 158 2HB ARG 23 3HB ARG 23 -5.316 0.688 -8.959 159 1HG ARG 23 2HG ARG 23 -3.043 0.814 -10.973 160 2HG ARG 23 3HG ARG 23 -4.443 -0.202 -11.293 161 1HD ARG 23 2HD ARG 23 -4.732 2.726 -10.537 162 2HD ARG 23 3HD ARG 23 -4.497 2.184 -12.214 163 HE ARG 23 HE ARG 23 -6.560 0.603 -11.295 164 1HH1 ARG 23 2HH2 ARG 23 -6.051 4.072 -11.592 165 2HH1 ARG 23 1HH2 ARG 23 -7.695 4.455 -12.002 166 1HH2 ARG 23 2HH1 ARG 23 -8.746 1.049 -11.896 167 2HH2 ARG 23 1HH1 ARG 23 -9.270 2.675 -12.172 168 H ILE 24 H ILE 24 -2.540 -0.594 -6.752 169 HA ILE 24 HA ILE 24 -4.395 -0.018 -4.722 170 HB ILE 24 HB ILE 24 -2.712 -1.263 -3.170 171 1HG1 ILE 24 2HG1 ILE 24 -1.945 -2.492 -5.838 172 2HG1 ILE 24 3HG1 ILE 24 -1.008 -1.153 -5.197 173 1HG2 ILE 24 1HG2 ILE 24 -4.300 -2.584 -5.394 174 2HG2 ILE 24 2HG2 ILE 24 -3.650 -3.358 -3.929 175 3HG2 ILE 24 3HG2 ILE 24 -4.868 -2.114 -3.771 176 1HD1 ILE 24 1HD1 ILE 24 -1.465 -3.789 -3.733 177 2HD1 ILE 24 2HD1 ILE 24 0.030 -3.286 -4.550 178 3HD1 ILE 24 3HD1 ILE 24 -0.548 -2.427 -3.108 179 H GLU 25 H GLU 25 -0.806 0.612 -4.304 180 HA GLU 25 HA GLU 25 -0.878 2.365 -2.303 181 1HB GLU 25 2HB GLU 25 0.804 2.157 -4.771 182 2HB GLU 25 3HB GLU 25 1.054 3.561 -3.731 183 1HG GLU 25 2HG GLU 25 2.509 1.524 -3.197 184 2HG GLU 25 3HG GLU 25 1.615 2.136 -1.811 185 H LYS 26 H LYS 26 -1.689 3.293 -5.649 186 HA LYS 26 HA LYS 26 -1.903 6.129 -4.925 187 1HB LYS 26 2HB LYS 26 -2.392 4.516 -7.417 188 2HB LYS 26 3HB LYS 26 -3.003 6.168 -7.290 189 1HG LYS 26 2HG LYS 26 -0.731 5.966 -8.363 190 2HG LYS 26 3HG LYS 26 -0.856 7.107 -7.014 191 1HD LYS 26 2HD LYS 26 0.233 5.463 -5.515 192 2HD LYS 26 3HD LYS 26 0.357 4.323 -6.876 193 1HE LYS 26 2HE LYS 26 1.829 5.901 -8.070 194 2HE LYS 26 3HE LYS 26 1.560 7.140 -6.829 195 1HZ LYS 26 1HZ LYS 26 3.637 6.054 -6.488 196 2HZ LYS 26 2HZ LYS 26 2.643 5.720 -5.230 197 3HZ LYS 26 3HZ LYS 26 2.917 4.577 -6.380 198 H GLY 27 H GLY 27 -4.200 3.401 -5.101 199 1HA GLY 27 2HA GLY 27 -6.523 5.050 -4.499 200 2HA GLY 27 3HA GLY 27 -6.388 3.298 -4.360 201 H LEU 28 H LEU 28 -3.945 3.459 -2.635 202 HA LEU 28 HA LEU 28 -5.234 3.729 -0.032 203 1HB LEU 28 2HB LEU 28 -2.494 3.050 -1.016 204 2HB LEU 28 3HB LEU 28 -2.664 3.598 0.640 205 HG LEU 28 HG LEU 28 -3.992 1.762 1.291 206 1HD1 LEU 28 1HD1 LEU 28 -4.253 0.803 -1.557 207 2HD1 LEU 28 2HD1 LEU 28 -4.855 0.028 -0.090 208 3HD1 LEU 28 3HD1 LEU 28 -5.544 1.571 -0.604 209 1HD2 LEU 28 1HD2 LEU 28 -1.909 0.740 -0.694 210 2HD2 LEU 28 2HD2 LEU 28 -1.538 1.348 0.928 211 3HD2 LEU 28 3HD2 LEU 28 -2.518 -0.121 0.731 212 H LYS 29 H LYS 29 -2.845 5.725 -1.844 213 HA LYS 29 HA LYS 29 -2.515 7.816 -0.029 214 1HB LYS 29 2HB LYS 29 -1.303 7.634 -2.138 215 2HB LYS 29 3HB LYS 29 -2.783 7.965 -3.057 216 1HG LYS 29 2HG LYS 29 -2.928 10.215 -2.076 217 2HG LYS 29 3HG LYS 29 -1.515 9.874 -1.066 218 1HD LYS 29 2HD LYS 29 -0.151 9.552 -3.150 219 2HD LYS 29 3HD LYS 29 -1.560 9.968 -4.127 220 1HE LYS 29 2HE LYS 29 -0.007 11.760 -2.189 221 2HE LYS 29 3HE LYS 29 -0.054 11.885 -3.934 222 1HZ LYS 29 1HZ LYS 29 -2.412 12.438 -3.735 223 2HZ LYS 29 2HZ LYS 29 -2.302 12.341 -2.087 224 3HZ LYS 29 3HZ LYS 29 -1.459 13.492 -2.898 225 H ARG 30 H ARG 30 -5.359 7.087 -1.966 226 HA ARG 30 HA ARG 30 -6.674 9.643 -1.481 227 1HB ARG 30 2HB ARG 30 -7.260 7.069 -2.898 228 2HB ARG 30 3HB ARG 30 -8.653 7.985 -2.355 229 1HG ARG 30 2HG ARG 30 -7.909 9.964 -3.534 230 2HG ARG 30 3HG ARG 30 -6.377 9.183 -3.995 231 1HD ARG 30 2HD ARG 30 -7.465 7.616 -5.413 232 2HD ARG 30 3HD ARG 30 -9.069 7.991 -4.726 233 HE ARG 30 HE ARG 30 -8.016 10.365 -5.855 234 1HH1 ARG 30 2HH2 ARG 30 -9.180 7.217 -6.882 235 2HH1 ARG 30 1HH2 ARG 30 -9.956 7.771 -8.335 236 1HH2 ARG 30 2HH1 ARG 30 -9.043 11.176 -7.780 237 2HH2 ARG 30 1HH1 ARG 30 -9.841 10.090 -8.867 238 H MET 31 H MET 31 -6.063 7.159 0.714 239 HA MET 31 HA MET 31 -8.724 7.289 1.992 240 1HB MET 31 2HB MET 31 -6.219 5.689 2.675 241 2HB MET 31 3HB MET 31 -7.785 5.493 3.444 242 1HG MET 31 2HG MET 31 -7.161 5.022 0.508 243 2HG MET 31 3HG MET 31 -7.385 3.803 1.735 244 1HE MET 31 1HE MET 31 -10.132 4.957 3.282 245 2HE MET 31 2HE MET 31 -11.282 3.993 2.350 246 3HE MET 31 3HE MET 31 -9.739 3.286 2.877 247 HA PRO 32 HA PRO 32 -7.407 10.284 5.007 248 1HB PRO 32 2HB PRO 32 -8.622 9.395 7.316 249 2HB PRO 32 3HB PRO 32 -9.509 10.176 5.976 250 1HG PRO 32 2HG PRO 32 -9.159 7.210 6.469 251 2HG PRO 32 3HG PRO 32 -10.688 8.088 6.164 252 1HD PRO 32 2HD PRO 32 -9.405 6.827 4.180 253 2HD PRO 32 3HD PRO 32 -10.106 8.434 3.859 254 H GLY 33 H GLY 33 -5.692 10.472 6.479 255 1HA GLY 33 2HA GLY 33 -4.040 9.770 7.933 256 2HA GLY 33 3HA GLY 33 -4.532 8.081 7.707 257 H VAL 34 H VAL 34 -4.347 8.299 4.672 258 HA VAL 34 HA VAL 34 -1.430 7.797 4.602 259 HB VAL 34 HB VAL 34 -3.455 7.401 2.398 260 1HG1 VAL 34 1HG1 VAL 34 -0.691 6.192 2.929 261 2HG1 VAL 34 2HG1 VAL 34 -1.735 5.820 1.547 262 3HG1 VAL 34 3HG1 VAL 34 -1.041 7.437 1.722 263 1HG2 VAL 34 1HG2 VAL 34 -3.389 4.969 3.105 264 2HG2 VAL 34 2HG2 VAL 34 -2.553 5.483 4.590 265 3HG2 VAL 34 3HG2 VAL 34 -4.213 6.021 4.261 266 H THR 35 H THR 35 0.014 9.113 3.506 267 HA THR 35 HA THR 35 -1.157 11.558 2.218 268 HB THR 35 HB THR 35 1.011 11.233 4.153 269 HG1 THR 35 1HG THR 35 -0.630 13.387 3.338 270 1HG2 THR 35 1HG2 THR 35 2.151 13.301 3.326 271 2HG2 THR 35 2HG2 THR 35 2.470 11.848 2.372 272 3HG2 THR 35 3HG2 THR 35 1.337 13.090 1.768 273 H ASP 36 H ASP 36 1.371 8.969 1.866 274 HA ASP 36 HA ASP 36 0.908 9.161 -0.981 275 1HB ASP 36 2HB ASP 36 3.422 10.253 0.251 276 2HB ASP 36 3HB ASP 36 3.669 9.089 -1.047 277 H ALA 37 H ALA 37 2.072 7.343 -2.078 278 HA ALA 37 HA ALA 37 3.107 5.266 -0.390 279 1HB ALA 37 1HB ALA 37 1.358 3.684 -0.474 280 2HB ALA 37 2HB ALA 37 0.505 5.172 -0.110 281 3HB ALA 37 3HB ALA 37 0.499 4.567 -1.768 282 H ASN 38 H ASN 38 4.130 3.595 -1.619 283 HA ASN 38 HA ASN 38 4.513 4.202 -4.495 284 1HB ASN 38 2HB ASN 38 7.067 3.904 -3.065 285 2HB ASN 38 3HB ASN 38 6.583 5.022 -4.326 286 1HD2 ASN 38 1HD2 ASN 38 6.219 4.382 -0.799 287 2HD2 ASN 38 2HD2 ASN 38 6.324 6.082 -0.350 288 H VAL 39 H VAL 39 4.308 2.287 -5.476 289 HA VAL 39 HA VAL 39 5.114 -0.174 -4.097 290 HB VAL 39 HB VAL 39 3.017 0.100 -5.450 291 1HG1 VAL 39 1HG1 VAL 39 3.091 -0.159 -7.850 292 2HG1 VAL 39 2HG1 VAL 39 4.050 1.268 -7.446 293 3HG1 VAL 39 3HG1 VAL 39 4.838 -0.272 -7.874 294 1HG2 VAL 39 1HG2 VAL 39 4.921 -2.142 -6.179 295 2HG2 VAL 39 2HG2 VAL 39 3.941 -2.046 -4.700 296 3HG2 VAL 39 3HG2 VAL 39 3.145 -2.161 -6.264 297 H ASN 40 H ASN 40 7.163 -0.911 -4.143 298 HA ASN 40 HA ASN 40 8.987 0.086 -6.292 299 1HB ASN 40 2HB ASN 40 9.560 0.692 -3.930 300 2HB ASN 40 3HB ASN 40 9.684 -1.033 -3.553 301 1HD2 ASN 40 1HD2 ASN 40 11.950 0.122 -3.007 302 2HD2 ASN 40 2HD2 ASN 40 13.131 -0.015 -4.300 303 H LEU 41 H LEU 41 7.302 -1.580 -7.212 304 HA LEU 41 HA LEU 41 7.745 -4.360 -6.698 305 1HB LEU 41 2HB LEU 41 5.863 -2.810 -8.146 306 2HB LEU 41 3HB LEU 41 6.678 -3.756 -9.374 307 HG LEU 41 HG LEU 41 4.621 -4.807 -8.532 308 1HD1 LEU 41 1HD1 LEU 41 7.089 -6.437 -7.851 309 2HD1 LEU 41 2HD1 LEU 41 5.471 -7.057 -8.219 310 3HD1 LEU 41 3HD1 LEU 41 6.396 -6.206 -9.465 311 1HD2 LEU 41 1HD2 LEU 41 5.102 -5.993 -6.122 312 2HD2 LEU 41 2HD2 LEU 41 5.796 -4.391 -5.834 313 3HD2 LEU 41 3HD2 LEU 41 4.128 -4.544 -6.373 314 H ALA 42 H ALA 42 9.442 -2.043 -8.612 315 HA ALA 42 HA ALA 42 10.999 -3.574 -10.340 316 1HB ALA 42 1HB ALA 42 12.772 -1.945 -9.887 317 2HB ALA 42 2HB ALA 42 11.203 -1.111 -10.037 318 3HB ALA 42 3HB ALA 42 11.927 -1.399 -8.430 319 H THR 43 H THR 43 11.106 -3.439 -6.749 320 HA THR 43 HA THR 43 12.877 -5.810 -6.884 321 HB THR 43 HB THR 43 14.268 -3.955 -6.220 322 HG1 THR 43 1HG THR 43 13.625 -5.818 -4.196 323 1HG2 THR 43 1HG2 THR 43 13.996 -2.716 -4.195 324 2HG2 THR 43 2HG2 THR 43 12.451 -2.607 -5.054 325 3HG2 THR 43 3HG2 THR 43 12.620 -3.695 -3.667 326 H GLU 44 H GLU 44 10.075 -5.764 -6.935 327 HA GLU 44 HA GLU 44 8.209 -6.599 -5.930 328 1HB GLU 44 2HB GLU 44 10.431 -8.408 -4.898 329 2HB GLU 44 3HB GLU 44 8.713 -8.813 -4.850 330 1HG GLU 44 2HG GLU 44 8.528 -8.617 -7.292 331 2HG GLU 44 3HG GLU 44 10.246 -8.199 -7.407 332 H THR 45 H THR 45 9.152 -4.314 -4.366 333 HA THR 45 HA THR 45 8.265 -5.120 -1.631 334 HB THR 45 HB THR 45 10.352 -3.084 -2.545 335 HG1 THR 45 1HG THR 45 10.993 -5.332 -2.642 336 1HG2 THR 45 1HG2 THR 45 9.469 -3.970 0.221 337 2HG2 THR 45 2HG2 THR 45 10.899 -2.969 -0.123 338 3HG2 THR 45 3HG2 THR 45 9.282 -2.336 -0.481 339 H VAL 46 H VAL 46 7.030 -3.397 -0.520 340 HA VAL 46 HA VAL 46 6.226 -1.096 -2.211 341 HB VAL 46 HB VAL 46 4.482 -2.773 -2.474 342 1HG1 VAL 46 1HG1 VAL 46 3.023 -3.457 -0.641 343 2HG1 VAL 46 2HG1 VAL 46 4.681 -3.955 -0.251 344 3HG1 VAL 46 3HG1 VAL 46 3.956 -2.498 0.497 345 1HG2 VAL 46 1HG2 VAL 46 3.887 -0.305 -2.365 346 2HG2 VAL 46 2HG2 VAL 46 2.609 -1.465 -1.975 347 3HG2 VAL 46 3HG2 VAL 46 3.415 -0.556 -0.681 348 H ASN 47 H ASN 47 5.806 0.788 -1.128 349 HA ASN 47 HA ASN 47 6.424 0.848 1.774 350 1HB ASN 47 2HB ASN 47 7.441 2.626 -0.503 351 2HB ASN 47 3HB ASN 47 7.524 3.105 1.196 352 1HD2 ASN 47 1HD2 ASN 47 8.616 1.439 2.696 353 2HD2 ASN 47 2HD2 ASN 47 10.145 0.841 2.059 354 H VAL 48 H VAL 48 5.041 2.343 2.973 355 HA VAL 48 HA VAL 48 3.051 3.799 1.307 356 HB VAL 48 HB VAL 48 2.388 2.135 3.738 357 1HG1 VAL 48 1HG1 VAL 48 0.172 2.706 3.328 358 2HG1 VAL 48 2HG1 VAL 48 1.006 4.230 2.997 359 3HG1 VAL 48 3HG1 VAL 48 0.466 3.202 1.656 360 1HG2 VAL 48 1HG2 VAL 48 1.920 1.408 0.822 361 2HG2 VAL 48 2HG2 VAL 48 2.930 0.524 1.984 362 3HG2 VAL 48 3HG2 VAL 48 1.183 0.597 2.216 363 H ILE 49 H ILE 49 2.982 5.907 2.009 364 HA ILE 49 HA ILE 49 4.543 6.537 4.430 365 HB ILE 49 HB ILE 49 3.821 8.370 2.101 366 1HG1 ILE 49 2HG1 ILE 49 5.146 6.652 1.139 367 2HG1 ILE 49 3HG1 ILE 49 6.127 8.104 1.317 368 1HG2 ILE 49 1HG2 ILE 49 5.670 9.751 3.000 369 2HG2 ILE 49 2HG2 ILE 49 4.310 9.591 4.118 370 3HG2 ILE 49 3HG2 ILE 49 5.789 8.659 4.398 371 1HD1 ILE 49 1HD1 ILE 49 7.468 6.180 1.925 372 2HD1 ILE 49 2HD1 ILE 49 7.141 7.113 3.397 373 3HD1 ILE 49 3HD1 ILE 49 6.249 5.613 3.074 374 H TYR 50 H TYR 50 3.131 6.797 6.156 375 HA TYR 50 HA TYR 50 0.643 8.349 5.716 376 1HB TYR 50 2HB TYR 50 -0.757 6.663 6.650 377 2HB TYR 50 3HB TYR 50 -0.015 6.098 5.183 378 HD1 TYR 50 HD1 TYR 50 0.542 5.907 8.938 379 HD2 TYR 50 HD2 TYR 50 0.665 3.882 5.156 380 HE1 TYR 50 HE1 TYR 50 1.032 3.803 10.084 381 HE2 TYR 50 HE2 TYR 50 0.760 1.705 6.332 382 HH TYR 50 HH TYR 50 1.258 1.464 9.798 383 H ASP 51 H ASP 51 -0.527 8.703 7.664 384 HA ASP 51 HA ASP 51 1.290 9.429 9.811 385 1HB ASP 51 2HB ASP 51 -1.690 9.875 9.817 386 2HB ASP 51 3HB ASP 51 -0.401 10.666 10.767 387 HA PRO 52 HA PRO 52 0.074 5.492 11.770 388 1HB PRO 52 2HB PRO 52 1.922 5.339 13.753 389 2HB PRO 52 3HB PRO 52 2.311 5.055 12.033 390 1HG PRO 52 2HG PRO 52 2.635 7.647 13.577 391 2HG PRO 52 3HG PRO 52 3.873 6.802 12.597 392 1HD PRO 52 2HD PRO 52 2.425 8.817 11.582 393 2HD PRO 52 3HD PRO 52 2.794 7.386 10.573 394 H ALA 53 H ALA 53 -0.707 8.563 12.669 395 HA ALA 53 HA ALA 53 -1.743 7.944 15.365 396 1HB ALA 53 1HB ALA 53 -1.855 10.421 13.589 397 2HB ALA 53 2HB ALA 53 -2.505 10.292 15.238 398 3HB ALA 53 3HB ALA 53 -0.753 10.177 14.965 399 H GLU 54 H GLU 54 -2.513 7.925 11.935 400 HA GLU 54 HA GLU 54 -5.415 7.853 12.516 401 1HB GLU 54 2HB GLU 54 -3.883 9.599 10.813 402 2HB GLU 54 3HB GLU 54 -4.870 8.553 9.790 403 1HG GLU 54 2HG GLU 54 -6.041 10.098 12.123 404 2HG GLU 54 3HG GLU 54 -5.922 10.737 10.476 405 H THR 55 H THR 55 -2.952 6.770 10.126 406 HA THR 55 HA THR 55 -4.349 4.155 10.027 407 HB THR 55 HB THR 55 -2.871 3.674 7.945 408 HG1 THR 55 1HG THR 55 -3.169 6.425 7.843 409 1HG2 THR 55 1HG2 THR 55 -5.247 3.746 8.030 410 2HG2 THR 55 2HG2 THR 55 -5.274 5.529 7.974 411 3HG2 THR 55 3HG2 THR 55 -4.648 4.607 6.583 412 H GLY 56 H GLY 56 -1.984 2.644 9.333 413 1HA GLY 56 2HA GLY 56 -0.431 1.741 11.228 414 2HA GLY 56 3HA GLY 56 -1.836 2.151 12.227 415 H THR 57 H THR 57 -0.872 0.542 9.499 416 HA THR 57 HA THR 57 -1.644 -0.307 7.740 417 HB THR 57 HB THR 57 -1.337 -2.781 7.882 418 HG1 THR 57 1HG THR 57 -0.898 -3.611 9.990 419 1HG2 THR 57 1HG2 THR 57 0.952 -2.781 8.709 420 2HG2 THR 57 2HG2 THR 57 0.664 -1.272 7.823 421 3HG2 THR 57 3HG2 THR 57 0.690 -1.277 9.604 422 H ALA 58 H ALA 58 -3.839 -1.040 10.332 423 HA ALA 58 HA ALA 58 -5.965 -2.379 9.549 424 1HB ALA 58 1HB ALA 58 -7.283 -0.473 10.543 425 2HB ALA 58 2HB ALA 58 -5.814 -0.871 11.475 426 3HB ALA 58 3HB ALA 58 -5.812 0.532 10.404 427 H ALA 59 H ALA 59 -5.335 0.883 8.152 428 HA ALA 59 HA ALA 59 -7.919 0.554 6.683 429 1HB ALA 59 1HB ALA 59 -5.975 2.798 6.206 430 2HB ALA 59 2HB ALA 59 -7.695 2.725 5.821 431 3HB ALA 59 3HB ALA 59 -7.206 2.811 7.522 432 H ILE 60 H ILE 60 -4.487 0.578 6.029 433 HA ILE 60 HA ILE 60 -4.493 0.340 3.214 434 HB ILE 60 HB ILE 60 -2.593 -0.284 5.495 435 1HG1 ILE 60 2HG1 ILE 60 -1.158 1.113 3.854 436 2HG1 ILE 60 3HG1 ILE 60 -2.671 1.453 3.026 437 1HG2 ILE 60 1HG2 ILE 60 -2.013 -1.226 2.681 438 2HG2 ILE 60 2HG2 ILE 60 -0.860 -1.099 4.032 439 3HG2 ILE 60 3HG2 ILE 60 -2.187 -2.245 4.132 440 1HD1 ILE 60 1HD1 ILE 60 -3.542 2.497 5.134 441 2HD1 ILE 60 2HD1 ILE 60 -2.069 1.986 5.993 442 3HD1 ILE 60 3HD1 ILE 60 -1.975 3.203 4.712 443 H GLN 61 H GLN 61 -4.506 -2.187 5.754 444 HA GLN 61 HA GLN 61 -4.476 -4.276 3.836 445 1HB GLN 61 2HB GLN 61 -4.049 -4.044 6.508 446 2HB GLN 61 3HB GLN 61 -5.557 -4.963 6.504 447 1HG GLN 61 2HG GLN 61 -4.516 -6.787 5.375 448 2HG GLN 61 3HG GLN 61 -3.201 -5.785 4.743 449 1HE2 GLN 61 1HE2 GLN 61 -1.730 -4.725 6.389 450 2HE2 GLN 61 2HE2 GLN 61 -1.297 -5.721 7.775 451 H GLU 62 H GLU 62 -7.168 -2.799 5.719 452 HA GLU 62 HA GLU 62 -9.380 -4.188 4.707 453 1HB GLU 62 2HB GLU 62 -8.795 -1.399 5.665 454 2HB GLU 62 3HB GLU 62 -10.254 -1.568 4.718 455 1HG GLU 62 2HG GLU 62 -9.634 -3.316 7.132 456 2HG GLU 62 3HG GLU 62 -10.563 -1.810 7.203 457 H LYS 63 H LYS 63 -7.813 -1.282 3.235 458 HA LYS 63 HA LYS 63 -9.464 -1.354 0.949 459 1HB LYS 63 2HB LYS 63 -6.955 0.056 1.846 460 2HB LYS 63 3HB LYS 63 -7.436 0.154 0.182 461 1HG LYS 63 2HG LYS 63 -9.377 0.711 2.461 462 2HG LYS 63 3HG LYS 63 -8.315 1.935 1.779 463 1HD LYS 63 2HD LYS 63 -10.475 0.423 0.212 464 2HD LYS 63 3HD LYS 63 -10.581 2.062 0.818 465 1HE LYS 63 2HE LYS 63 -8.210 2.218 -0.604 466 2HE LYS 63 3HE LYS 63 -9.073 0.962 -1.519 467 1HZ LYS 63 1HZ LYS 63 -10.871 2.544 -1.786 468 2HZ LYS 63 2HZ LYS 63 -10.033 3.652 -0.876 469 3HZ LYS 63 3HZ LYS 63 -9.450 3.180 -2.340 470 H ILE 64 H ILE 64 -6.260 -2.763 1.610 471 HA ILE 64 HA ILE 64 -5.323 -3.160 -0.930 472 HB ILE 64 HB ILE 64 -4.876 -4.195 1.747 473 1HG1 ILE 64 2HG1 ILE 64 -3.640 -2.348 0.595 474 2HG1 ILE 64 3HG1 ILE 64 -2.669 -3.609 1.350 475 1HG2 ILE 64 1HG2 ILE 64 -3.343 -6.001 1.030 476 2HG2 ILE 64 2HG2 ILE 64 -5.066 -6.365 0.930 477 3HG2 ILE 64 3HG2 ILE 64 -4.157 -5.973 -0.554 478 1HD1 ILE 64 1HD1 ILE 64 -2.293 -4.674 -0.849 479 2HD1 ILE 64 2HD1 ILE 64 -3.261 -3.408 -1.625 480 3HD1 ILE 64 3HD1 ILE 64 -1.740 -2.990 -0.804 481 H GLU 65 H GLU 65 -7.317 -5.284 1.211 482 HA GLU 65 HA GLU 65 -7.994 -7.366 -0.588 483 1HB GLU 65 2HB GLU 65 -9.359 -6.166 1.855 484 2HB GLU 65 3HB GLU 65 -10.052 -7.529 0.975 485 1HG GLU 65 2HG GLU 65 -7.193 -7.657 1.942 486 2HG GLU 65 3HG GLU 65 -8.546 -8.018 3.022 487 H LYS 66 H LYS 66 -9.952 -4.462 0.292 488 HA LYS 66 HA LYS 66 -12.044 -4.914 -1.518 489 1HB LYS 66 2HB LYS 66 -10.955 -2.588 -0.024 490 2HB LYS 66 3HB LYS 66 -11.930 -2.142 -1.415 491 1HG LYS 66 2HG LYS 66 -12.918 -4.181 0.609 492 2HG LYS 66 3HG LYS 66 -13.081 -2.444 0.894 493 1HD LYS 66 2HD LYS 66 -14.298 -2.129 -1.205 494 2HD LYS 66 3HD LYS 66 -14.114 -3.845 -1.620 495 1HE LYS 66 2HE LYS 66 -15.460 -4.501 0.337 496 2HE LYS 66 3HE LYS 66 -15.574 -2.814 0.866 497 1HZ LYS 66 1HZ LYS 66 -16.686 -3.877 -1.649 498 2HZ LYS 66 2HZ LYS 66 -17.543 -3.534 -0.289 499 3HZ LYS 66 3HZ LYS 66 -16.811 -2.321 -1.121 500 H LEU 67 H LEU 67 -8.937 -3.402 -2.196 501 HA LEU 67 HA LEU 67 -9.578 -2.464 -4.851 502 1HB LEU 67 2HB LEU 67 -7.008 -2.903 -3.332 503 2HB LEU 67 3HB LEU 67 -7.040 -2.246 -4.975 504 HG LEU 67 HG LEU 67 -8.732 -0.982 -2.806 505 1HD1 LEU 67 1HD1 LEU 67 -6.998 0.554 -2.203 506 2HD1 LEU 67 2HD1 LEU 67 -6.405 -1.096 -1.926 507 3HD1 LEU 67 3HD1 LEU 67 -5.888 -0.172 -3.338 508 1HD2 LEU 67 1HD2 LEU 67 -9.086 -0.273 -5.183 509 2HD2 LEU 67 2HD2 LEU 67 -8.452 1.042 -4.182 510 3HD2 LEU 67 3HD2 LEU 67 -7.370 0.168 -5.282 511 H GLY 68 H GLY 68 -8.869 -5.589 -3.535 512 1HA GLY 68 2HA GLY 68 -9.039 -7.592 -4.644 513 2HA GLY 68 3HA GLY 68 -8.875 -6.793 -6.215 514 H TYR 69 H TYR 69 -6.748 -6.553 -3.282 515 HA TYR 69 HA TYR 69 -4.519 -7.878 -4.755 516 1HB TYR 69 2HB TYR 69 -4.946 -5.076 -4.140 517 2HB TYR 69 3HB TYR 69 -3.605 -5.656 -3.168 518 HD1 TYR 69 HD1 TYR 69 -1.477 -6.180 -4.166 519 HD2 TYR 69 HD2 TYR 69 -4.906 -5.375 -6.651 520 HE1 TYR 69 HE1 TYR 69 -0.004 -5.868 -6.095 521 HE2 TYR 69 HE2 TYR 69 -3.452 -5.341 -8.639 522 HH TYR 69 HH TYR 69 0.095 -5.806 -8.412 523 H HIS 70 H HIS 70 -2.604 -8.113 -3.069 524 HA HIS 70 HA HIS 70 -3.586 -8.256 -0.314 525 1HB HIS 70 2HB HIS 70 -3.944 -10.501 -1.464 526 2HB HIS 70 3HB HIS 70 -2.193 -10.634 -1.588 527 HD1 HIS 70 1HD HIS 70 -2.680 -12.896 -0.059 528 HD2 HIS 70 2HD HIS 70 -3.614 -9.204 1.729 529 HE1 HIS 70 1HE HIS 70 -3.036 -13.344 2.425 530 H VAL 71 H VAL 71 -1.717 -8.381 1.232 531 HA VAL 71 HA VAL 71 0.844 -7.475 0.089 532 HB VAL 71 HB VAL 71 -0.635 -5.493 0.622 533 1HG1 VAL 71 1HG1 VAL 71 -1.035 -4.847 2.916 534 2HG1 VAL 71 2HG1 VAL 71 -1.749 -6.452 2.675 535 3HG1 VAL 71 3HG1 VAL 71 -0.207 -6.284 3.536 536 1HG2 VAL 71 1HG2 VAL 71 1.785 -5.290 0.537 537 2HG2 VAL 71 2HG2 VAL 71 1.114 -4.249 1.800 538 3HG2 VAL 71 3HG2 VAL 71 1.896 -5.783 2.248 539 H VAL 72 H VAL 72 2.596 -8.110 1.412 540 HA VAL 72 HA VAL 72 1.867 -10.098 3.510 541 HB VAL 72 HB VAL 72 4.272 -10.324 1.804 542 1HG1 VAL 72 1HG1 VAL 72 2.687 -12.340 3.451 543 2HG1 VAL 72 2HG1 VAL 72 4.191 -12.664 2.567 544 3HG1 VAL 72 3HG1 VAL 72 4.204 -11.567 3.954 545 1HG2 VAL 72 1HG2 VAL 72 1.550 -11.586 1.280 546 2HG2 VAL 72 2HG2 VAL 72 2.406 -10.443 0.217 547 3HG2 VAL 72 3HG2 VAL 72 3.070 -12.058 0.488 548 H ILE 73 H ILE 73 2.857 -9.893 5.370 549 HA ILE 73 HA ILE 73 4.435 -7.394 5.806 550 HB ILE 73 HB ILE 73 2.724 -8.929 7.766 551 1HG1 ILE 73 2HG1 ILE 73 1.274 -7.968 6.069 552 2HG1 ILE 73 3HG1 ILE 73 1.166 -7.051 7.563 553 1HG2 ILE 73 1HG2 ILE 73 2.965 -6.763 9.068 554 2HG2 ILE 73 2HG2 ILE 73 4.448 -7.709 8.944 555 3HG2 ILE 73 3HG2 ILE 73 4.237 -6.287 7.917 556 1HD1 ILE 73 1HD1 ILE 73 2.656 -5.288 6.584 557 2HD1 ILE 73 2HD1 ILE 73 2.660 -6.191 5.050 558 3HD1 ILE 73 3HD1 ILE 73 1.152 -5.531 5.688 559 H GLU 74 H GLU 74 6.229 -8.714 4.944 560 HA GLU 74 HA GLU 74 7.294 -10.794 6.438 561 1HB GLU 74 2HB GLU 74 7.912 -9.455 4.021 562 2HB GLU 74 3HB GLU 74 9.393 -9.647 4.969 563 1HG GLU 74 2HG GLU 74 9.156 -11.580 3.547 564 2HG GLU 74 3HG GLU 74 8.847 -12.098 5.210 565 H GLY 75 H GLY 75 7.073 -7.832 7.526 566 1HA GLY 75 2HA GLY 75 8.001 -6.670 9.319 567 2HA GLY 75 3HA GLY 75 8.958 -8.118 9.676 568 H ARG 76 H ARG 76 8.825 -5.156 7.627 569 HA ARG 76 HA ARG 76 11.706 -4.935 7.678 570 1HB ARG 76 2HB ARG 76 10.250 -5.672 5.220 571 2HB ARG 76 3HB ARG 76 10.828 -4.018 5.117 572 1HG ARG 76 2HG ARG 76 12.608 -5.223 4.241 573 2HG ARG 76 3HG ARG 76 13.109 -4.873 5.894 574 1HD ARG 76 2HD ARG 76 11.876 -7.327 6.248 575 2HD ARG 76 3HD ARG 76 12.330 -7.462 4.572 576 HE ARG 76 HE ARG 76 14.593 -7.418 5.085 577 1HH1 ARG 76 2HH2 ARG 76 12.666 -7.147 8.088 578 2HH1 ARG 76 1HH2 ARG 76 14.037 -7.263 9.126 579 1HH2 ARG 76 2HH1 ARG 76 16.398 -7.626 6.493 580 2HH2 ARG 76 1HH1 ARG 76 16.180 -7.595 8.212 Start of MODEL 22 1 1H MET 1 H1 MET 1 1.930 21.659 15.838 2 2H MET 1 H2 MET 1 2.494 22.554 14.546 3 3H MET 1 H3 MET 1 0.907 22.070 14.631 4 HA MET 1 HA MET 1 1.902 20.574 13.149 5 1HB MET 1 2HB MET 1 4.005 20.370 15.350 6 2HB MET 1 3HB MET 1 3.839 19.162 14.071 7 1HG MET 1 2HG MET 1 4.312 20.778 12.346 8 2HG MET 1 3HG MET 1 4.333 22.113 13.511 9 1HE MET 1 1HE MET 1 6.600 22.927 12.462 10 2HE MET 1 2HE MET 1 8.047 21.902 12.339 11 3HE MET 1 3HE MET 1 6.621 21.542 11.340 12 H LEU 2 H LEU 2 1.193 18.355 13.212 13 HA LEU 2 HA LEU 2 0.711 16.891 15.561 14 1HB LEU 2 2HB LEU 2 -1.370 18.676 15.228 15 2HB LEU 2 3HB LEU 2 -1.862 17.432 14.086 16 HG LEU 2 HG LEU 2 -1.343 15.808 16.175 17 1HD1 LEU 2 1HD1 LEU 2 -2.062 18.450 17.524 18 2HD1 LEU 2 2HD1 LEU 2 -1.867 16.874 18.314 19 3HD1 LEU 2 3HD1 LEU 2 -0.462 17.681 17.592 20 1HD2 LEU 2 1HD2 LEU 2 -3.841 17.530 15.940 21 2HD2 LEU 2 2HD2 LEU 2 -3.521 16.000 15.091 22 3HD2 LEU 2 3HD2 LEU 2 -3.706 16.011 16.854 23 H SER 3 H SER 3 -0.485 14.755 14.646 24 HA SER 3 HA SER 3 -0.400 13.032 13.215 25 1HB SER 3 2HB SER 3 -0.793 15.196 11.100 26 2HB SER 3 3HB SER 3 -1.036 13.466 10.866 27 HG SER 3 HG SER 3 -2.678 13.465 12.293 28 H GLU 4 H GLU 4 1.731 12.343 13.635 29 HA GLU 4 HA GLU 4 4.027 13.351 12.229 30 1HB GLU 4 2HB GLU 4 3.386 11.065 14.012 31 2HB GLU 4 3HB GLU 4 4.796 10.912 13.001 32 1HG GLU 4 2HG GLU 4 5.466 13.191 13.909 33 2HG GLU 4 3HG GLU 4 4.250 12.875 15.156 34 H GLN 5 H GLN 5 5.330 11.583 10.907 35 HA GLN 5 HA GLN 5 3.540 10.053 9.115 36 1HB GLN 5 2HB GLN 5 5.843 11.867 8.382 37 2HB GLN 5 3HB GLN 5 5.121 10.774 7.224 38 1HG GLN 5 2HG GLN 5 3.449 12.914 8.673 39 2HG GLN 5 3HG GLN 5 4.392 13.257 7.242 40 1HE2 GLN 5 1HE2 GLN 5 3.209 10.008 7.142 41 2HE2 GLN 5 2HE2 GLN 5 1.904 10.324 6.041 42 H LYS 6 H LYS 6 4.357 8.109 8.585 43 HA LYS 6 HA LYS 6 7.222 7.559 8.841 44 1HB LYS 6 2HB LYS 6 5.074 5.859 10.092 45 2HB LYS 6 3HB LYS 6 6.594 5.171 9.609 46 1HG LYS 6 2HG LYS 6 7.099 7.587 11.191 47 2HG LYS 6 3HG LYS 6 6.014 6.518 12.041 48 1HD LYS 6 2HD LYS 6 8.225 6.058 12.723 49 2HD LYS 6 3HD LYS 6 7.658 4.642 11.841 50 1HE LYS 6 2HE LYS 6 9.231 6.835 10.416 51 2HE LYS 6 3HE LYS 6 10.103 5.720 11.463 52 1HZ LYS 6 1HZ LYS 6 9.824 5.279 8.992 53 2HZ LYS 6 2HZ LYS 6 9.742 3.981 10.025 54 3HZ LYS 6 3HZ LYS 6 8.405 4.640 9.322 55 H GLU 7 H GLU 7 7.886 5.855 7.612 56 HA GLU 7 HA GLU 7 6.387 5.279 5.150 57 1HB GLU 7 2HB GLU 7 9.302 4.681 5.295 58 2HB GLU 7 3HB GLU 7 8.376 5.430 4.020 59 1HG GLU 7 2HG GLU 7 9.867 7.082 4.622 60 2HG GLU 7 3HG GLU 7 8.473 7.585 5.578 61 H ILE 8 H ILE 8 5.628 3.127 5.338 62 HA ILE 8 HA ILE 8 7.184 1.261 7.020 63 HB ILE 8 HB ILE 8 4.453 1.071 5.874 64 1HG1 ILE 8 2HG1 ILE 8 4.226 2.872 7.398 65 2HG1 ILE 8 3HG1 ILE 8 3.498 1.409 8.084 66 1HG2 ILE 8 1HG2 ILE 8 6.075 -0.511 7.782 67 2HG2 ILE 8 2HG2 ILE 8 4.294 -0.714 7.684 68 3HG2 ILE 8 3HG2 ILE 8 5.297 -1.042 6.256 69 1HD1 ILE 8 1HD1 ILE 8 5.510 0.978 9.369 70 2HD1 ILE 8 2HD1 ILE 8 6.240 2.458 8.710 71 3HD1 ILE 8 3HD1 ILE 8 4.807 2.572 9.763 72 H ALA 9 H ALA 9 7.362 -0.919 5.916 73 HA ALA 9 HA ALA 9 7.563 -0.816 2.982 74 1HB ALA 9 1HB ALA 9 9.810 -1.738 3.004 75 2HB ALA 9 2HB ALA 9 9.845 -0.221 3.932 76 3HB ALA 9 3HB ALA 9 9.836 -1.772 4.779 77 H MET 10 H MET 10 6.746 -2.801 2.188 78 HA MET 10 HA MET 10 7.201 -5.213 3.679 79 1HB MET 10 2HB MET 10 4.963 -5.891 4.158 80 2HB MET 10 3HB MET 10 5.294 -4.409 5.019 81 1HG MET 10 2HG MET 10 3.908 -4.311 2.335 82 2HG MET 10 3HG MET 10 3.039 -4.778 3.797 83 1HE MET 10 1HE MET 10 3.172 -3.275 6.065 84 2HE MET 10 2HE MET 10 2.288 -1.760 5.745 85 3HE MET 10 3HE MET 10 1.675 -3.298 5.101 86 H GLN 11 H GLN 11 5.602 -7.034 2.515 87 HA GLN 11 HA GLN 11 6.530 -6.929 -0.310 88 1HB GLN 11 2HB GLN 11 5.862 -9.115 1.713 89 2HB GLN 11 3HB GLN 11 5.856 -9.477 -0.008 90 1HG GLN 11 2HG GLN 11 8.209 -8.427 1.626 91 2HG GLN 11 3HG GLN 11 7.999 -10.083 1.029 92 1HE2 GLN 11 1HE2 GLN 11 7.175 -9.834 -1.577 93 2HE2 GLN 11 2HE2 GLN 11 8.149 -8.704 -2.474 94 H VAL 12 H VAL 12 5.022 -8.023 -1.919 95 HA VAL 12 HA VAL 12 2.156 -7.781 -1.220 96 HB VAL 12 HB VAL 12 1.924 -6.952 -3.672 97 1HG1 VAL 12 1HG1 VAL 12 2.898 -5.103 -1.483 98 2HG1 VAL 12 2HG1 VAL 12 2.000 -4.600 -2.929 99 3HG1 VAL 12 3HG1 VAL 12 1.226 -5.651 -1.730 100 1HG2 VAL 12 1HG2 VAL 12 4.714 -5.851 -3.109 101 2HG2 VAL 12 2HG2 VAL 12 4.347 -7.149 -4.272 102 3HG2 VAL 12 3HG2 VAL 12 3.676 -5.521 -4.500 103 H SER 13 H SER 13 0.733 -8.980 -2.565 104 HA SER 13 HA SER 13 1.847 -11.042 -4.315 105 1HB SER 13 2HB SER 13 0.397 -11.695 -1.704 106 2HB SER 13 3HB SER 13 0.631 -12.852 -3.028 107 HG SER 13 HG SER 13 2.277 -13.028 -1.449 108 H GLY 14 H GLY 14 0.000 -12.283 -5.306 109 1HA GLY 14 2HA GLY 14 -2.066 -12.372 -6.346 110 2HA GLY 14 3HA GLY 14 -2.698 -11.204 -5.171 111 H MET 15 H MET 15 -0.402 -11.419 -7.960 112 HA MET 15 HA MET 15 -1.385 -8.884 -9.052 113 1HB MET 15 2HB MET 15 0.765 -7.850 -9.054 114 2HB MET 15 3HB MET 15 0.446 -8.369 -7.388 115 1HG MET 15 2HG MET 15 2.625 -9.043 -7.592 116 2HG MET 15 3HG MET 15 1.836 -10.511 -8.162 117 1HE MET 15 1HE MET 15 4.137 -11.029 -11.036 118 2HE MET 15 2HE MET 15 4.137 -11.268 -9.269 119 3HE MET 15 3HE MET 15 2.680 -11.650 -10.229 120 H THR 16 H THR 16 -0.331 -8.504 -11.193 121 HA THR 16 HA THR 16 0.823 -10.929 -12.484 122 HB THR 16 HB THR 16 -0.382 -9.975 -14.618 123 HG1 THR 16 1HG THR 16 -2.188 -9.205 -12.568 124 1HG2 THR 16 1HG2 THR 16 -0.776 -12.217 -13.800 125 2HG2 THR 16 2HG2 THR 16 -1.810 -11.622 -12.486 126 3HG2 THR 16 3HG2 THR 16 -2.335 -11.465 -14.179 127 H CYS 17 H CYS 17 0.132 -7.439 -13.114 128 HA CYS 17 HA CYS 17 2.908 -7.194 -14.161 129 1HB CYS 17 2HB CYS 17 2.075 -5.383 -15.520 130 2HB CYS 17 3HB CYS 17 1.094 -6.836 -15.774 131 H ALA 18 H ALA 18 4.153 -5.389 -13.662 132 HA ALA 18 HA ALA 18 3.809 -4.265 -10.991 133 1HB ALA 18 1HB ALA 18 5.953 -3.129 -11.541 134 2HB ALA 18 2HB ALA 18 6.026 -4.877 -11.836 135 3HB ALA 18 3HB ALA 18 5.850 -3.756 -13.199 136 H ALA 19 H ALA 19 1.549 -3.560 -12.207 137 HA ALA 19 HA ALA 19 1.815 -0.631 -12.648 138 1HB ALA 19 1HB ALA 19 1.965 -1.660 -14.901 139 2HB ALA 19 2HB ALA 19 0.376 -2.410 -14.648 140 3HB ALA 19 3HB ALA 19 0.525 -0.645 -14.689 141 H CYS 20 H CYS 20 -0.599 -3.371 -12.494 142 HA CYS 20 HA CYS 20 -2.625 -1.707 -11.302 143 1HB CYS 20 2HB CYS 20 -3.472 -3.902 -10.343 144 2HB CYS 20 3HB CYS 20 -3.342 -3.850 -12.109 145 H ALA 21 H ALA 21 0.108 -3.496 -10.037 146 HA ALA 21 HA ALA 21 -0.009 -3.090 -7.328 147 1HB ALA 21 1HB ALA 21 2.290 -3.496 -7.327 148 2HB ALA 21 2HB ALA 21 1.796 -4.216 -8.851 149 3HB ALA 21 3HB ALA 21 2.564 -2.621 -8.854 150 H ALA 22 H ALA 22 0.515 -0.564 -9.782 151 HA ALA 22 HA ALA 22 1.363 1.462 -7.837 152 1HB ALA 22 1HB ALA 22 0.326 1.791 -10.682 153 2HB ALA 22 2HB ALA 22 1.146 3.006 -9.686 154 3HB ALA 22 3HB ALA 22 2.035 1.568 -10.237 155 H ARG 23 H ARG 23 -1.586 0.645 -9.724 156 HA ARG 23 HA ARG 23 -3.134 2.826 -8.740 157 1HB ARG 23 2HB ARG 23 -3.934 0.164 -9.974 158 2HB ARG 23 3HB ARG 23 -5.114 1.350 -9.411 159 1HG ARG 23 2HG ARG 23 -4.937 2.514 -11.308 160 2HG ARG 23 3HG ARG 23 -3.262 2.877 -10.923 161 1HD ARG 23 2HD ARG 23 -3.167 1.966 -13.038 162 2HD ARG 23 3HD ARG 23 -2.626 0.646 -11.981 163 HE ARG 23 HE ARG 23 -5.412 0.359 -12.295 164 1HH1 ARG 23 2HH2 ARG 23 -2.513 0.169 -14.262 165 2HH1 ARG 23 1HH2 ARG 23 -3.250 -0.648 -15.606 166 1HH2 ARG 23 2HH1 ARG 23 -6.480 -0.698 -14.085 167 2HH2 ARG 23 1HH1 ARG 23 -5.570 -1.173 -15.479 168 H ILE 24 H ILE 24 -2.736 -0.493 -7.409 169 HA ILE 24 HA ILE 24 -4.652 -0.108 -5.386 170 HB ILE 24 HB ILE 24 -3.699 -1.832 -4.094 171 1HG1 ILE 24 2HG1 ILE 24 -1.302 -1.356 -5.787 172 2HG1 ILE 24 3HG1 ILE 24 -1.412 -1.278 -4.011 173 1HG2 ILE 24 1HG2 ILE 24 -3.968 -3.558 -5.637 174 2HG2 ILE 24 2HG2 ILE 24 -4.837 -2.231 -6.408 175 3HG2 ILE 24 3HG2 ILE 24 -3.214 -2.666 -6.969 176 1HD1 ILE 24 1HD1 ILE 24 -1.514 -3.772 -5.695 177 2HD1 ILE 24 2HD1 ILE 24 -0.169 -3.256 -4.674 178 3HD1 ILE 24 3HD1 ILE 24 -1.716 -3.719 -3.921 179 H GLU 25 H GLU 25 -1.140 0.630 -5.190 180 HA GLU 25 HA GLU 25 -1.165 1.802 -2.642 181 1HB GLU 25 2HB GLU 25 0.629 2.005 -5.056 182 2HB GLU 25 3HB GLU 25 0.877 3.113 -3.699 183 1HG GLU 25 2HG GLU 25 0.663 0.113 -3.253 184 2HG GLU 25 3HG GLU 25 2.187 0.942 -3.600 185 H LYS 26 H LYS 26 -1.955 3.200 -5.794 186 HA LYS 26 HA LYS 26 -1.897 5.943 -4.820 187 1HB LYS 26 2HB LYS 26 -3.090 4.780 -7.344 188 2HB LYS 26 3HB LYS 26 -2.873 6.507 -7.031 189 1HG LYS 26 2HG LYS 26 -0.503 4.602 -6.879 190 2HG LYS 26 3HG LYS 26 -1.085 5.191 -8.435 191 1HD LYS 26 2HD LYS 26 -0.600 7.470 -7.815 192 2HD LYS 26 3HD LYS 26 -0.247 7.012 -6.130 193 1HE LYS 26 2HE LYS 26 1.684 5.695 -6.777 194 2HE LYS 26 3HE LYS 26 1.301 5.856 -8.498 195 1HZ LYS 26 1HZ LYS 26 1.780 8.202 -8.320 196 2HZ LYS 26 2HZ LYS 26 2.152 8.045 -6.717 197 3HZ LYS 26 3HZ LYS 26 3.068 7.298 -7.853 198 H GLY 27 H GLY 27 -4.550 3.591 -5.486 199 1HA GLY 27 2HA GLY 27 -6.678 5.305 -4.537 200 2HA GLY 27 3HA GLY 27 -6.718 3.540 -4.621 201 H LEU 28 H LEU 28 -4.450 2.985 -2.990 202 HA LEU 28 HA LEU 28 -5.501 3.072 -0.322 203 1HB LEU 28 2HB LEU 28 -4.172 1.363 -1.197 204 2HB LEU 28 3HB LEU 28 -2.792 2.434 -1.421 205 HG LEU 28 HG LEU 28 -4.029 2.024 1.315 206 1HD1 LEU 28 1HD1 LEU 28 -2.328 0.183 1.547 207 2HD1 LEU 28 2HD1 LEU 28 -3.687 -0.148 0.461 208 3HD1 LEU 28 3HD1 LEU 28 -2.084 0.261 -0.206 209 1HD2 LEU 28 1HD2 LEU 28 -1.956 3.676 0.290 210 2HD2 LEU 28 2HD2 LEU 28 -2.166 3.238 1.978 211 3HD2 LEU 28 3HD2 LEU 28 -1.093 2.278 0.919 212 H LYS 29 H LYS 29 -3.161 5.185 -2.064 213 HA LYS 29 HA LYS 29 -2.531 6.831 0.098 214 1HB LYS 29 2HB LYS 29 -1.632 6.826 -2.377 215 2HB LYS 29 3HB LYS 29 -2.912 8.006 -2.654 216 1HG LYS 29 2HG LYS 29 -1.566 8.831 -0.240 217 2HG LYS 29 3HG LYS 29 -0.335 8.234 -1.326 218 1HD LYS 29 2HD LYS 29 -0.291 10.269 -2.228 219 2HD LYS 29 3HD LYS 29 -1.794 9.889 -3.047 220 1HE LYS 29 2HE LYS 29 -1.506 11.165 -0.274 221 2HE LYS 29 3HE LYS 29 -1.745 12.073 -1.769 222 1HZ LYS 29 1HZ LYS 29 -3.767 11.824 -0.576 223 2HZ LYS 29 2HZ LYS 29 -3.901 10.847 -1.903 224 3HZ LYS 29 3HZ LYS 29 -3.588 10.212 -0.412 225 H ARG 30 H ARG 30 -5.541 6.661 -1.721 226 HA ARG 30 HA ARG 30 -6.405 9.368 -1.052 227 1HB ARG 30 2HB ARG 30 -7.410 7.079 -2.621 228 2HB ARG 30 3HB ARG 30 -8.681 7.918 -1.785 229 1HG ARG 30 2HG ARG 30 -6.573 9.346 -3.477 230 2HG ARG 30 3HG ARG 30 -7.997 8.584 -4.176 231 1HD ARG 30 2HD ARG 30 -9.394 10.020 -2.475 232 2HD ARG 30 3HD ARG 30 -7.910 10.914 -2.214 233 HE ARG 30 HE ARG 30 -8.206 11.992 -4.209 234 1HH1 ARG 30 2HH2 ARG 30 -10.140 9.058 -4.247 235 2HH1 ARG 30 1HH2 ARG 30 -10.981 9.411 -5.726 236 1HH2 ARG 30 2HH1 ARG 30 -9.289 12.518 -6.199 237 2HH2 ARG 30 1HH1 ARG 30 -10.464 11.432 -6.862 238 H MET 31 H MET 31 -6.012 6.646 0.942 239 HA MET 31 HA MET 31 -8.480 6.999 2.432 240 1HB MET 31 2HB MET 31 -5.925 5.481 3.120 241 2HB MET 31 3HB MET 31 -7.473 5.305 3.942 242 1HG MET 31 2HG MET 31 -6.787 4.541 1.095 243 2HG MET 31 3HG MET 31 -7.245 3.504 2.421 244 1HE MET 31 1HE MET 31 -9.968 5.053 3.498 245 2HE MET 31 2HE MET 31 -11.144 4.171 2.514 246 3HE MET 31 3HE MET 31 -9.777 3.305 3.255 247 HA PRO 32 HA PRO 32 -7.254 10.286 5.105 248 1HB PRO 32 2HB PRO 32 -8.365 9.569 7.527 249 2HB PRO 32 3HB PRO 32 -9.323 10.162 6.139 250 1HG PRO 32 2HG PRO 32 -8.811 7.284 6.922 251 2HG PRO 32 3HG PRO 32 -10.384 8.048 6.546 252 1HD PRO 32 2HD PRO 32 -9.041 6.644 4.707 253 2HD PRO 32 3HD PRO 32 -9.851 8.158 4.211 254 H GLY 33 H GLY 33 -5.521 10.722 6.543 255 1HA GLY 33 2HA GLY 33 -3.734 10.282 7.880 256 2HA GLY 33 3HA GLY 33 -4.166 8.575 7.950 257 H VAL 34 H VAL 34 -4.135 8.696 4.715 258 HA VAL 34 HA VAL 34 -1.247 8.071 4.631 259 HB VAL 34 HB VAL 34 -3.333 7.471 2.536 260 1HG1 VAL 34 1HG1 VAL 34 -0.974 7.462 1.745 261 2HG1 VAL 34 2HG1 VAL 34 -0.499 6.450 3.110 262 3HG1 VAL 34 3HG1 VAL 34 -1.567 5.795 1.869 263 1HG2 VAL 34 1HG2 VAL 34 -2.301 5.747 4.837 264 2HG2 VAL 34 2HG2 VAL 34 -3.972 6.299 4.599 265 3HG2 VAL 34 3HG2 VAL 34 -3.254 5.151 3.463 266 H THR 35 H THR 35 0.204 9.347 3.707 267 HA THR 35 HA THR 35 -0.751 11.868 2.427 268 HB THR 35 HB THR 35 1.280 11.152 4.395 269 HG1 THR 35 1HG THR 35 0.711 13.131 5.122 270 1HG2 THR 35 1HG2 THR 35 2.042 13.173 2.267 271 2HG2 THR 35 2HG2 THR 35 2.790 13.033 3.872 272 3HG2 THR 35 3HG2 THR 35 2.921 11.692 2.734 273 H ASP 36 H ASP 36 1.529 9.104 1.987 274 HA ASP 36 HA ASP 36 1.407 9.644 -0.850 275 1HB ASP 36 2HB ASP 36 3.831 10.405 0.684 276 2HB ASP 36 3HB ASP 36 4.159 9.252 -0.613 277 H ALA 37 H ALA 37 2.410 7.887 -2.062 278 HA ALA 37 HA ALA 37 2.842 5.366 -0.642 279 1HB ALA 37 1HB ALA 37 0.313 5.644 -0.652 280 2HB ALA 37 2HB ALA 37 0.392 5.697 -2.430 281 3HB ALA 37 3HB ALA 37 0.853 4.232 -1.552 282 H ASN 38 H ASN 38 3.839 3.740 -1.891 283 HA ASN 38 HA ASN 38 4.530 4.426 -4.648 284 1HB ASN 38 2HB ASN 38 7.085 4.317 -3.406 285 2HB ASN 38 3HB ASN 38 6.347 5.607 -4.340 286 1HD2 ASN 38 1HD2 ASN 38 5.860 4.409 -0.950 287 2HD2 ASN 38 2HD2 ASN 38 6.234 5.975 -0.233 288 H VAL 39 H VAL 39 4.320 2.450 -5.494 289 HA VAL 39 HA VAL 39 5.034 0.115 -3.942 290 HB VAL 39 HB VAL 39 3.035 0.399 -5.508 291 1HG1 VAL 39 1HG1 VAL 39 3.203 -0.220 -7.779 292 2HG1 VAL 39 2HG1 VAL 39 4.288 1.152 -7.538 293 3HG1 VAL 39 3HG1 VAL 39 4.927 -0.504 -7.690 294 1HG2 VAL 39 1HG2 VAL 39 3.103 -2.018 -5.990 295 2HG2 VAL 39 2HG2 VAL 39 4.825 -2.039 -5.523 296 3HG2 VAL 39 3HG2 VAL 39 3.566 -1.622 -4.341 297 H ASN 40 H ASN 40 7.187 -0.370 -3.701 298 HA ASN 40 HA ASN 40 9.093 0.314 -5.866 299 1HB ASN 40 2HB ASN 40 9.579 0.802 -3.468 300 2HB ASN 40 3HB ASN 40 9.622 -0.937 -3.153 301 1HD2 ASN 40 1HD2 ASN 40 11.866 0.512 -2.573 302 2HD2 ASN 40 2HD2 ASN 40 13.112 0.237 -3.780 303 H LEU 41 H LEU 41 7.392 -1.271 -6.963 304 HA LEU 41 HA LEU 41 7.699 -4.066 -6.489 305 1HB LEU 41 2HB LEU 41 5.877 -2.533 -7.776 306 2HB LEU 41 3HB LEU 41 6.795 -3.067 -9.175 307 HG LEU 41 HG LEU 41 4.792 -4.371 -8.744 308 1HD1 LEU 41 1HD1 LEU 41 7.213 -6.116 -8.116 309 2HD1 LEU 41 2HD1 LEU 41 5.681 -6.647 -8.807 310 3HD1 LEU 41 3HD1 LEU 41 6.743 -5.578 -9.742 311 1HD2 LEU 41 1HD2 LEU 41 5.921 -5.273 -6.076 312 2HD2 LEU 41 2HD2 LEU 41 4.584 -4.128 -6.331 313 3HD2 LEU 41 3HD2 LEU 41 4.433 -5.806 -6.862 314 H ALA 42 H ALA 42 9.607 -1.739 -8.202 315 HA ALA 42 HA ALA 42 11.178 -3.277 -9.930 316 1HB ALA 42 1HB ALA 42 12.980 -1.708 -9.388 317 2HB ALA 42 2HB ALA 42 11.442 -0.835 -9.596 318 3HB ALA 42 3HB ALA 42 12.092 -1.145 -7.963 319 H THR 43 H THR 43 11.232 -3.150 -6.324 320 HA THR 43 HA THR 43 12.957 -5.583 -6.439 321 HB THR 43 HB THR 43 14.305 -3.826 -5.505 322 HG1 THR 43 1HG THR 43 13.333 -5.701 -3.639 323 1HG2 THR 43 1HG2 THR 43 13.237 -2.164 -4.428 324 2HG2 THR 43 2HG2 THR 43 11.871 -3.175 -3.915 325 3HG2 THR 43 3HG2 THR 43 13.387 -3.198 -3.001 326 H GLU 44 H GLU 44 10.122 -5.497 -6.748 327 HA GLU 44 HA GLU 44 8.259 -6.466 -5.999 328 1HB GLU 44 2HB GLU 44 10.523 -8.190 -5.721 329 2HB GLU 44 3HB GLU 44 9.492 -8.545 -4.346 330 1HG GLU 44 2HG GLU 44 8.557 -8.471 -7.253 331 2HG GLU 44 3HG GLU 44 9.030 -9.928 -6.368 332 H THR 45 H THR 45 9.077 -4.217 -4.212 333 HA THR 45 HA THR 45 7.927 -5.112 -1.608 334 HB THR 45 HB THR 45 10.069 -3.034 -2.258 335 HG1 THR 45 1HG THR 45 10.692 -5.319 -2.438 336 1HG2 THR 45 1HG2 THR 45 9.081 -4.137 0.388 337 2HG2 THR 45 2HG2 THR 45 10.492 -3.079 0.176 338 3HG2 THR 45 3HG2 THR 45 8.877 -2.456 -0.194 339 H VAL 46 H VAL 46 6.740 -3.296 -0.490 340 HA VAL 46 HA VAL 46 5.917 -1.058 -2.276 341 HB VAL 46 HB VAL 46 4.078 -2.614 -2.255 342 1HG1 VAL 46 1HG1 VAL 46 4.440 -3.904 -0.225 343 2HG1 VAL 46 2HG1 VAL 46 4.223 -2.459 0.791 344 3HG1 VAL 46 3HG1 VAL 46 2.859 -3.119 -0.120 345 1HG2 VAL 46 1HG2 VAL 46 3.386 -0.340 -0.358 346 2HG2 VAL 46 2HG2 VAL 46 3.649 -0.144 -2.103 347 3HG2 VAL 46 3HG2 VAL 46 2.330 -1.175 -1.512 348 H ASN 47 H ASN 47 5.647 0.998 -1.241 349 HA ASN 47 HA ASN 47 6.386 1.104 1.621 350 1HB ASN 47 2HB ASN 47 7.582 2.653 -0.730 351 2HB ASN 47 3HB ASN 47 7.595 3.293 0.915 352 1HD2 ASN 47 1HD2 ASN 47 8.390 1.597 2.649 353 2HD2 ASN 47 2HD2 ASN 47 9.948 0.914 2.192 354 H VAL 48 H VAL 48 5.063 2.590 2.749 355 HA VAL 48 HA VAL 48 3.229 4.238 1.143 356 HB VAL 48 HB VAL 48 2.003 2.201 1.412 357 1HG1 VAL 48 1HG1 VAL 48 3.131 1.088 3.230 358 2HG1 VAL 48 2HG1 VAL 48 2.638 2.346 4.379 359 3HG1 VAL 48 3HG1 VAL 48 1.426 1.281 3.646 360 1HG2 VAL 48 1HG2 VAL 48 0.718 4.217 1.587 361 2HG2 VAL 48 2HG2 VAL 48 0.087 3.041 2.757 362 3HG2 VAL 48 3HG2 VAL 48 1.075 4.391 3.316 363 H ILE 49 H ILE 49 2.942 6.175 2.068 364 HA ILE 49 HA ILE 49 4.577 6.693 4.452 365 HB ILE 49 HB ILE 49 3.756 8.666 2.288 366 1HG1 ILE 49 2HG1 ILE 49 5.029 7.029 1.113 367 2HG1 ILE 49 3HG1 ILE 49 5.982 8.494 1.326 368 1HG2 ILE 49 1HG2 ILE 49 5.847 8.792 4.487 369 2HG2 ILE 49 2HG2 ILE 49 5.669 9.981 3.179 370 3HG2 ILE 49 3HG2 ILE 49 4.364 9.748 4.349 371 1HD1 ILE 49 1HD1 ILE 49 7.400 6.569 1.719 372 2HD1 ILE 49 2HD1 ILE 49 7.158 7.416 3.260 373 3HD1 ILE 49 3HD1 ILE 49 6.266 5.916 2.912 374 H TYR 50 H TYR 50 3.186 6.926 6.236 375 HA TYR 50 HA TYR 50 0.712 8.524 5.928 376 1HB TYR 50 2HB TYR 50 -0.734 6.803 6.713 377 2HB TYR 50 3HB TYR 50 0.089 6.228 5.294 378 HD1 TYR 50 HD1 TYR 50 1.744 4.340 5.481 379 HD2 TYR 50 HD2 TYR 50 -0.311 5.868 8.928 380 HE1 TYR 50 HE1 TYR 50 1.897 2.128 6.561 381 HE2 TYR 50 HE2 TYR 50 0.078 3.734 10.098 382 HH TYR 50 HH TYR 50 1.229 0.836 8.390 383 H ASP 51 H ASP 51 -0.443 8.698 7.931 384 HA ASP 51 HA ASP 51 1.389 9.286 10.158 385 1HB ASP 51 2HB ASP 51 -0.192 11.003 9.601 386 2HB ASP 51 3HB ASP 51 -1.544 9.874 9.715 387 HA PRO 52 HA PRO 52 0.111 5.221 11.752 388 1HB PRO 52 2HB PRO 52 1.964 4.851 13.678 389 2HB PRO 52 3HB PRO 52 2.361 4.762 11.936 390 1HG PRO 52 2HG PRO 52 2.651 7.174 13.760 391 2HG PRO 52 3HG PRO 52 3.909 6.435 12.730 392 1HD PRO 52 2HD PRO 52 2.453 8.558 11.895 393 2HD PRO 52 3HD PRO 52 2.866 7.244 10.749 394 H ALA 53 H ALA 53 -0.404 8.319 13.115 395 HA ALA 53 HA ALA 53 -1.563 7.283 15.623 396 1HB ALA 53 1HB ALA 53 -1.709 10.024 14.314 397 2HB ALA 53 2HB ALA 53 -2.179 9.596 15.967 398 3HB ALA 53 3HB ALA 53 -0.465 9.544 15.494 399 H GLU 54 H GLU 54 -2.300 7.988 12.234 400 HA GLU 54 HA GLU 54 -5.164 8.127 12.847 401 1HB GLU 54 2HB GLU 54 -4.083 10.093 11.853 402 2HB GLU 54 3HB GLU 54 -3.760 9.203 10.369 403 1HG GLU 54 2HG GLU 54 -6.089 9.017 9.869 404 2HG GLU 54 3HG GLU 54 -6.580 9.330 11.539 405 H THR 55 H THR 55 -2.940 6.844 10.423 406 HA THR 55 HA THR 55 -4.673 4.455 10.192 407 HB THR 55 HB THR 55 -3.108 3.806 8.183 408 HG1 THR 55 1HG THR 55 -3.134 6.609 8.166 409 1HG2 THR 55 1HG2 THR 55 -4.773 4.869 6.699 410 2HG2 THR 55 2HG2 THR 55 -5.486 4.001 8.084 411 3HG2 THR 55 3HG2 THR 55 -5.416 5.785 8.091 412 H GLY 56 H GLY 56 -3.033 2.567 9.728 413 1HA GLY 56 2HA GLY 56 -0.806 2.006 11.297 414 2HA GLY 56 3HA GLY 56 -2.177 2.116 12.421 415 H THR 57 H THR 57 -1.056 0.664 9.658 416 HA THR 57 HA THR 57 -1.631 -0.213 7.902 417 HB THR 57 HB THR 57 -1.469 -2.702 7.942 418 HG1 THR 57 1HG THR 57 -1.635 -2.246 10.737 419 1HG2 THR 57 1HG2 THR 57 0.538 -1.374 9.827 420 2HG2 THR 57 2HG2 THR 57 0.721 -2.928 9.004 421 3HG2 THR 57 3HG2 THR 57 0.647 -1.436 8.048 422 H ALA 58 H ALA 58 -4.053 -0.982 10.330 423 HA ALA 58 HA ALA 58 -6.136 -2.180 9.443 424 1HB ALA 58 1HB ALA 58 -5.991 0.742 10.239 425 2HB ALA 58 2HB ALA 58 -7.496 -0.218 10.255 426 3HB ALA 58 3HB ALA 58 -6.136 -0.646 11.321 427 H ALA 59 H ALA 59 -5.378 1.001 7.927 428 HA ALA 59 HA ALA 59 -7.962 0.670 6.409 429 1HB ALA 59 1HB ALA 59 -5.923 2.902 6.163 430 2HB ALA 59 2HB ALA 59 -7.564 2.869 5.498 431 3HB ALA 59 3HB ALA 59 -7.344 2.919 7.259 432 H ILE 60 H ILE 60 -4.539 0.837 5.889 433 HA ILE 60 HA ILE 60 -4.320 0.388 3.123 434 HB ILE 60 HB ILE 60 -2.688 0.037 5.638 435 1HG1 ILE 60 2HG1 ILE 60 -1.449 1.202 3.323 436 2HG1 ILE 60 3HG1 ILE 60 -3.024 1.926 3.567 437 1HG2 ILE 60 1HG2 ILE 60 -1.781 -1.305 3.088 438 2HG2 ILE 60 2HG2 ILE 60 -0.736 -0.823 4.445 439 3HG2 ILE 60 3HG2 ILE 60 -2.009 -2.016 4.699 440 1HD1 ILE 60 1HD1 ILE 60 -1.348 3.205 4.820 441 2HD1 ILE 60 2HD1 ILE 60 -2.532 2.457 5.903 442 3HD1 ILE 60 3HD1 ILE 60 -0.905 1.748 5.742 443 H GLN 61 H GLN 61 -4.467 -2.078 5.741 444 HA GLN 61 HA GLN 61 -4.333 -4.172 3.823 445 1HB GLN 61 2HB GLN 61 -4.049 -3.957 6.501 446 2HB GLN 61 3HB GLN 61 -5.570 -4.858 6.416 447 1HG GLN 61 2HG GLN 61 -4.508 -6.694 5.332 448 2HG GLN 61 3HG GLN 61 -3.143 -5.713 4.783 449 1HE2 GLN 61 1HE2 GLN 61 -1.816 -4.628 6.573 450 2HE2 GLN 61 2HE2 GLN 61 -1.458 -5.642 7.963 451 H GLU 62 H GLU 62 -7.122 -2.690 5.561 452 HA GLU 62 HA GLU 62 -9.282 -4.121 4.514 453 1HB GLU 62 2HB GLU 62 -8.765 -1.262 5.335 454 2HB GLU 62 3HB GLU 62 -10.217 -1.559 4.421 455 1HG GLU 62 2HG GLU 62 -10.935 -3.250 6.094 456 2HG GLU 62 3HG GLU 62 -9.457 -2.927 7.027 457 H LYS 63 H LYS 63 -7.724 -1.221 3.017 458 HA LYS 63 HA LYS 63 -9.322 -1.451 0.697 459 1HB LYS 63 2HB LYS 63 -6.932 0.168 1.598 460 2HB LYS 63 3HB LYS 63 -7.543 0.304 -0.022 461 1HG LYS 63 2HG LYS 63 -9.488 0.483 2.320 462 2HG LYS 63 3HG LYS 63 -8.438 1.824 1.938 463 1HD LYS 63 2HD LYS 63 -10.573 2.196 0.940 464 2HD LYS 63 3HD LYS 63 -9.338 2.030 -0.321 465 1HE LYS 63 2HE LYS 63 -10.178 -0.193 -0.893 466 2HE LYS 63 3HE LYS 63 -11.238 -0.204 0.545 467 1HZ LYS 63 1HZ LYS 63 -12.437 0.309 -1.442 468 2HZ LYS 63 2HZ LYS 63 -12.461 1.600 -0.424 469 3HZ LYS 63 3HZ LYS 63 -11.485 1.614 -1.753 470 H ILE 64 H ILE 64 -6.043 -2.528 1.469 471 HA ILE 64 HA ILE 64 -5.005 -3.098 -0.964 472 HB ILE 64 HB ILE 64 -4.656 -3.969 1.744 473 1HG1 ILE 64 2HG1 ILE 64 -3.255 -2.384 0.454 474 2HG1 ILE 64 3HG1 ILE 64 -2.395 -3.642 1.327 475 1HG2 ILE 64 1HG2 ILE 64 -4.993 -6.195 1.250 476 2HG2 ILE 64 2HG2 ILE 64 -4.070 -6.107 -0.273 477 3HG2 ILE 64 3HG2 ILE 64 -3.255 -5.951 1.298 478 1HD1 ILE 64 1HD1 ILE 64 -2.175 -4.952 -0.786 479 2HD1 ILE 64 2HD1 ILE 64 -2.973 -3.637 -1.665 480 3HD1 ILE 64 3HD1 ILE 64 -1.411 -3.354 -0.865 481 H GLU 65 H GLU 65 -7.078 -5.150 1.180 482 HA GLU 65 HA GLU 65 -7.674 -7.286 -0.591 483 1HB GLU 65 2HB GLU 65 -9.118 -6.105 1.809 484 2HB GLU 65 3HB GLU 65 -9.734 -7.514 0.941 485 1HG GLU 65 2HG GLU 65 -6.862 -7.607 1.830 486 2HG GLU 65 3HG GLU 65 -8.125 -7.741 3.057 487 H LYS 66 H LYS 66 -9.693 -4.368 0.172 488 HA LYS 66 HA LYS 66 -11.664 -5.094 -1.708 489 1HB LYS 66 2HB LYS 66 -11.083 -2.709 -0.072 490 2HB LYS 66 3HB LYS 66 -11.916 -2.304 -1.575 491 1HG LYS 66 2HG LYS 66 -12.823 -4.493 0.321 492 2HG LYS 66 3HG LYS 66 -13.420 -2.840 0.429 493 1HD LYS 66 2HD LYS 66 -13.575 -4.155 -2.287 494 2HD LYS 66 3HD LYS 66 -14.644 -4.788 -1.030 495 1HE LYS 66 2HE LYS 66 -15.667 -2.611 -0.692 496 2HE LYS 66 3HE LYS 66 -14.479 -1.825 -1.748 497 1HZ LYS 66 1HZ LYS 66 -15.362 -3.095 -3.586 498 2HZ LYS 66 2HZ LYS 66 -16.478 -3.810 -2.613 499 3HZ LYS 66 3HZ LYS 66 -16.542 -2.192 -2.885 500 H LEU 67 H LEU 67 -8.668 -3.462 -2.330 501 HA LEU 67 HA LEU 67 -9.272 -2.554 -5.024 502 1HB LEU 67 2HB LEU 67 -6.791 -2.869 -3.315 503 2HB LEU 67 3HB LEU 67 -6.644 -2.508 -5.022 504 HG LEU 67 HG LEU 67 -8.517 -0.843 -3.321 505 1HD1 LEU 67 1HD1 LEU 67 -6.628 0.776 -2.949 506 2HD1 LEU 67 2HD1 LEU 67 -6.515 -0.717 -2.015 507 3HD1 LEU 67 3HD1 LEU 67 -5.511 -0.516 -3.434 508 1HD2 LEU 67 1HD2 LEU 67 -8.736 0.307 -5.240 509 2HD2 LEU 67 2HD2 LEU 67 -6.999 0.645 -5.274 510 3HD2 LEU 67 3HD2 LEU 67 -7.635 -0.800 -6.069 511 H GLY 68 H GLY 68 -8.597 -5.635 -3.588 512 1HA GLY 68 2HA GLY 68 -8.806 -7.669 -4.641 513 2HA GLY 68 3HA GLY 68 -8.605 -6.922 -6.233 514 H TYR 69 H TYR 69 -6.566 -6.734 -3.234 515 HA TYR 69 HA TYR 69 -4.329 -8.107 -4.636 516 1HB TYR 69 2HB TYR 69 -4.611 -5.280 -4.213 517 2HB TYR 69 3HB TYR 69 -3.421 -5.839 -3.060 518 HD1 TYR 69 HD1 TYR 69 -1.235 -6.580 -3.789 519 HD2 TYR 69 HD2 TYR 69 -4.369 -5.896 -6.669 520 HE1 TYR 69 HE1 TYR 69 0.445 -6.377 -5.571 521 HE2 TYR 69 HE2 TYR 69 -2.707 -5.756 -8.458 522 HH TYR 69 HH TYR 69 -0.443 -5.648 -8.962 523 H HIS 70 H HIS 70 -2.473 -8.437 -2.990 524 HA HIS 70 HA HIS 70 -3.463 -8.525 -0.189 525 1HB HIS 70 2HB HIS 70 -3.580 -10.792 -1.374 526 2HB HIS 70 3HB HIS 70 -1.816 -10.741 -1.441 527 HD1 HIS 70 1HD HIS 70 -4.727 -11.182 0.993 528 HD2 HIS 70 2HD HIS 70 -0.532 -10.877 0.992 529 HE1 HIS 70 1HE HIS 70 -3.934 -11.963 3.296 530 H VAL 71 H VAL 71 -1.925 -7.925 1.303 531 HA VAL 71 HA VAL 71 0.767 -7.181 0.281 532 HB VAL 71 HB VAL 71 -0.719 -5.259 0.859 533 1HG1 VAL 71 1HG1 VAL 71 -1.742 -6.303 2.960 534 2HG1 VAL 71 2HG1 VAL 71 -0.183 -6.012 3.750 535 3HG1 VAL 71 3HG1 VAL 71 -1.124 -4.648 3.139 536 1HG2 VAL 71 1HG2 VAL 71 1.627 -4.984 0.667 537 2HG2 VAL 71 2HG2 VAL 71 1.108 -4.099 2.113 538 3HG2 VAL 71 3HG2 VAL 71 1.889 -5.701 2.265 539 H VAL 72 H VAL 72 2.434 -8.223 1.291 540 HA VAL 72 HA VAL 72 1.714 -10.136 3.474 541 HB VAL 72 HB VAL 72 4.011 -10.295 1.610 542 1HG1 VAL 72 1HG1 VAL 72 2.853 -12.318 3.563 543 2HG1 VAL 72 2HG1 VAL 72 4.183 -12.634 2.432 544 3HG1 VAL 72 3HG1 VAL 72 4.403 -11.464 3.732 545 1HG2 VAL 72 1HG2 VAL 72 1.920 -10.665 0.308 546 2HG2 VAL 72 2HG2 VAL 72 2.842 -12.163 0.499 547 3HG2 VAL 72 3HG2 VAL 72 1.417 -11.884 1.512 548 H ILE 73 H ILE 73 2.886 -10.040 5.300 549 HA ILE 73 HA ILE 73 4.852 -7.823 5.609 550 HB ILE 73 HB ILE 73 2.935 -8.891 7.681 551 1HG1 ILE 73 2HG1 ILE 73 2.483 -6.231 7.507 552 2HG1 ILE 73 3HG1 ILE 73 3.105 -6.470 5.878 553 1HG2 ILE 73 1HG2 ILE 73 5.132 -8.224 8.673 554 2HG2 ILE 73 2HG2 ILE 73 5.015 -6.669 7.825 555 3HG2 ILE 73 3HG2 ILE 73 3.829 -7.107 9.084 556 1HD1 ILE 73 1HD1 ILE 73 0.844 -6.756 5.603 557 2HD1 ILE 73 2HD1 ILE 73 1.320 -8.446 5.872 558 3HD1 ILE 73 3HD1 ILE 73 0.631 -7.500 7.210 559 H GLU 74 H GLU 74 6.355 -9.422 4.644 560 HA GLU 74 HA GLU 74 7.290 -11.546 6.201 561 1HB GLU 74 2HB GLU 74 8.255 -10.041 3.779 562 2HB GLU 74 3HB GLU 74 9.296 -11.203 4.582 563 1HG GLU 74 2HG GLU 74 6.626 -12.354 4.117 564 2HG GLU 74 3HG GLU 74 7.409 -11.826 2.620 565 H GLY 75 H GLY 75 7.394 -8.435 6.897 566 1HA GLY 75 2HA GLY 75 10.131 -8.265 8.058 567 2HA GLY 75 3HA GLY 75 8.916 -6.979 8.030 568 H ARG 76 H ARG 76 6.967 -7.305 9.351 569 HA ARG 76 HA ARG 76 6.037 -7.378 11.377 570 1HB ARG 76 2HB ARG 76 5.581 -9.613 10.450 571 2HB ARG 76 3HB ARG 76 7.053 -10.210 11.194 572 1HG ARG 76 2HG ARG 76 5.479 -8.972 13.280 573 2HG ARG 76 3HG ARG 76 4.366 -9.944 12.302 574 1HD ARG 76 2HD ARG 76 5.863 -11.893 12.513 575 2HD ARG 76 3HD ARG 76 7.009 -10.907 13.466 576 HE ARG 76 HE ARG 76 4.580 -10.703 14.801 577 1HH1 ARG 76 2HH2 ARG 76 6.914 -13.179 13.969 578 2HH1 ARG 76 1HH2 ARG 76 6.538 -14.260 15.275 579 1HH2 ARG 76 2HH1 ARG 76 4.027 -12.085 16.599 580 2HH2 ARG 76 1HH1 ARG 76 4.854 -13.591 16.835 Start of MODEL 23 1 1H MET 1 H1 MET 1 0.101 14.184 18.297 2 2H MET 1 H2 MET 1 -1.545 13.958 18.376 3 3H MET 1 H3 MET 1 -0.795 14.494 16.977 4 HA MET 1 HA MET 1 -1.931 16.281 18.234 5 1HB MET 1 2HB MET 1 -1.267 15.469 20.482 6 2HB MET 1 3HB MET 1 0.433 15.780 20.114 7 1HG MET 1 2HG MET 1 -1.753 17.905 20.194 8 2HG MET 1 3HG MET 1 -0.666 17.507 21.527 9 1HE MET 1 1HE MET 1 -1.102 20.471 20.542 10 2HE MET 1 2HE MET 1 0.012 20.025 21.862 11 3HE MET 1 3HE MET 1 0.576 21.062 20.532 12 H LEU 2 H LEU 2 -1.487 17.407 16.428 13 HA LEU 2 HA LEU 2 -0.453 17.916 14.497 14 1HB LEU 2 2HB LEU 2 1.552 18.666 15.918 15 2HB LEU 2 3HB LEU 2 2.281 17.096 15.579 16 HG LEU 2 HG LEU 2 1.310 18.652 13.206 17 1HD1 LEU 2 1HD1 LEU 2 3.356 20.056 13.218 18 2HD1 LEU 2 2HD1 LEU 2 2.295 20.443 14.584 19 3HD1 LEU 2 3HD1 LEU 2 3.753 19.461 14.844 20 1HD2 LEU 2 1HD2 LEU 2 3.957 17.238 13.809 21 2HD2 LEU 2 2HD2 LEU 2 2.564 16.433 13.093 22 3HD2 LEU 2 3HD2 LEU 2 3.355 17.755 12.220 23 H SER 3 H SER 3 0.257 16.466 12.672 24 HA SER 3 HA SER 3 -0.311 13.609 13.244 25 1HB SER 3 2HB SER 3 -0.592 14.999 10.564 26 2HB SER 3 3HB SER 3 -1.287 13.472 11.116 27 HG SER 3 HG SER 3 -2.939 14.872 11.372 28 H GLU 4 H GLU 4 1.404 12.288 12.832 29 HA GLU 4 HA GLU 4 3.955 13.449 11.876 30 1HB GLU 4 2HB GLU 4 3.155 11.178 13.607 31 2HB GLU 4 3HB GLU 4 4.572 10.939 12.618 32 1HG GLU 4 2HG GLU 4 5.379 13.148 13.532 33 2HG GLU 4 3HG GLU 4 4.082 12.988 14.718 34 H GLN 5 H GLN 5 5.209 11.583 10.555 35 HA GLN 5 HA GLN 5 3.372 10.094 8.799 36 1HB GLN 5 2HB GLN 5 5.767 11.753 7.983 37 2HB GLN 5 3HB GLN 5 4.969 10.650 6.879 38 1HG GLN 5 2HG GLN 5 3.462 12.974 8.221 39 2HG GLN 5 3HG GLN 5 4.440 13.174 6.798 40 1HE2 GLN 5 1HE2 GLN 5 2.938 10.036 6.848 41 2HE2 GLN 5 2HE2 GLN 5 1.706 10.431 5.673 42 H LYS 6 H LYS 6 4.171 8.071 8.346 43 HA LYS 6 HA LYS 6 7.004 7.491 8.713 44 1HB LYS 6 2HB LYS 6 4.809 6.097 10.281 45 2HB LYS 6 3HB LYS 6 6.257 5.234 9.799 46 1HG LYS 6 2HG LYS 6 7.104 7.756 10.960 47 2HG LYS 6 3HG LYS 6 5.892 7.083 12.004 48 1HD LYS 6 2HD LYS 6 7.373 5.655 12.867 49 2HD LYS 6 3HD LYS 6 7.698 4.912 11.312 50 1HE LYS 6 2HE LYS 6 9.100 7.344 12.509 51 2HE LYS 6 3HE LYS 6 9.754 5.715 12.288 52 1HZ LYS 6 1HZ LYS 6 9.445 6.111 9.811 53 2HZ LYS 6 2HZ LYS 6 9.142 7.654 10.126 54 3HZ LYS 6 3HZ LYS 6 10.583 7.031 10.520 55 H GLU 7 H GLU 7 7.553 5.437 7.882 56 HA GLU 7 HA GLU 7 6.344 5.073 5.223 57 1HB GLU 7 2HB GLU 7 9.278 4.775 5.597 58 2HB GLU 7 3HB GLU 7 8.320 5.565 4.362 59 1HG GLU 7 2HG GLU 7 9.668 7.210 5.398 60 2HG GLU 7 3HG GLU 7 8.038 7.511 5.996 61 H ILE 8 H ILE 8 5.326 3.090 5.689 62 HA ILE 8 HA ILE 8 6.755 1.004 7.144 63 HB ILE 8 HB ILE 8 4.148 0.901 5.743 64 1HG1 ILE 8 2HG1 ILE 8 3.762 2.836 6.977 65 2HG1 ILE 8 3HG1 ILE 8 2.997 1.464 7.782 66 1HG2 ILE 8 1HG2 ILE 8 5.285 -0.538 8.119 67 2HG2 ILE 8 2HG2 ILE 8 3.593 -0.701 7.562 68 3HG2 ILE 8 3HG2 ILE 8 4.928 -1.219 6.522 69 1HD1 ILE 8 1HD1 ILE 8 4.816 1.273 9.337 70 2HD1 ILE 8 2HD1 ILE 8 5.655 2.627 8.545 71 3HD1 ILE 8 3HD1 ILE 8 4.105 2.911 9.384 72 H ALA 9 H ALA 9 6.945 -1.206 6.050 73 HA ALA 9 HA ALA 9 7.271 -1.124 3.116 74 1HB ALA 9 1HB ALA 9 9.497 -2.128 3.281 75 2HB ALA 9 2HB ALA 9 9.495 -0.548 4.093 76 3HB ALA 9 3HB ALA 9 9.438 -2.037 5.055 77 H MET 10 H MET 10 6.528 -3.071 2.237 78 HA MET 10 HA MET 10 6.720 -5.561 3.744 79 1HB MET 10 2HB MET 10 4.200 -5.989 3.426 80 2HB MET 10 3HB MET 10 4.705 -5.008 4.803 81 1HG MET 10 2HG MET 10 3.936 -3.685 2.221 82 2HG MET 10 3HG MET 10 2.679 -4.276 3.304 83 1HE MET 10 1HE MET 10 1.782 -1.712 3.066 84 2HE MET 10 2HE MET 10 2.697 -0.325 3.710 85 3HE MET 10 3HE MET 10 3.273 -1.166 2.254 86 H GLN 11 H GLN 11 5.550 -7.374 2.387 87 HA GLN 11 HA GLN 11 6.493 -7.103 -0.404 88 1HB GLN 11 2HB GLN 11 6.331 -9.253 1.576 89 2HB GLN 11 3HB GLN 11 5.419 -9.694 0.127 90 1HG GLN 11 2HG GLN 11 8.286 -8.735 -0.049 91 2HG GLN 11 3HG GLN 11 7.834 -10.424 0.244 92 1HE2 GLN 11 1HE2 GLN 11 7.640 -7.797 -2.088 93 2HE2 GLN 11 2HE2 GLN 11 7.062 -8.728 -3.440 94 H VAL 12 H VAL 12 5.000 -8.233 -2.072 95 HA VAL 12 HA VAL 12 2.119 -7.580 -1.580 96 HB VAL 12 HB VAL 12 2.109 -6.989 -4.031 97 1HG1 VAL 12 1HG1 VAL 12 2.892 -4.690 -3.673 98 2HG1 VAL 12 2HG1 VAL 12 1.968 -5.266 -2.274 99 3HG1 VAL 12 3HG1 VAL 12 3.747 -5.205 -2.205 100 1HG2 VAL 12 1HG2 VAL 12 4.135 -6.377 -5.119 101 2HG2 VAL 12 2HG2 VAL 12 5.099 -6.608 -3.640 102 3HG2 VAL 12 3HG2 VAL 12 4.413 -8.005 -4.500 103 H SER 13 H SER 13 0.587 -8.883 -2.537 104 HA SER 13 HA SER 13 1.421 -10.889 -4.532 105 1HB SER 13 2HB SER 13 -0.591 -11.416 -2.329 106 2HB SER 13 3HB SER 13 -0.055 -12.561 -3.565 107 HG SER 13 HG SER 13 0.995 -12.820 -1.473 108 H GLY 14 H GLY 14 -0.205 -11.210 -6.049 109 1HA GLY 14 2HA GLY 14 -2.576 -10.865 -6.735 110 2HA GLY 14 3HA GLY 14 -2.456 -9.209 -6.126 111 H MET 15 H MET 15 0.365 -8.926 -7.132 112 HA MET 15 HA MET 15 -0.197 -7.653 -9.527 113 1HB MET 15 2HB MET 15 2.242 -7.623 -9.920 114 2HB MET 15 3HB MET 15 1.788 -7.078 -8.310 115 1HG MET 15 2HG MET 15 2.881 -8.794 -7.275 116 2HG MET 15 3HG MET 15 2.390 -9.988 -8.472 117 1HE MET 15 1HE MET 15 4.518 -11.292 -8.379 118 2HE MET 15 2HE MET 15 6.139 -10.593 -8.572 119 3HE MET 15 3HE MET 15 5.172 -10.199 -7.131 120 H THR 16 H THR 16 -0.221 -8.090 -11.605 121 HA THR 16 HA THR 16 0.725 -10.671 -12.734 122 HB THR 16 HB THR 16 -1.562 -10.478 -14.086 123 HG1 THR 16 1HG THR 16 -2.349 -9.448 -11.564 124 1HG2 THR 16 1HG2 THR 16 -2.665 -12.012 -12.520 125 2HG2 THR 16 2HG2 THR 16 -0.954 -12.428 -12.722 126 3HG2 THR 16 3HG2 THR 16 -1.496 -11.598 -11.250 127 H CYS 17 H CYS 17 -1.095 -7.726 -13.544 128 HA CYS 17 HA CYS 17 0.329 -7.268 -16.047 129 1HB CYS 17 2HB CYS 17 -1.093 -5.216 -16.092 130 2HB CYS 17 3HB CYS 17 -2.048 -6.683 -15.770 131 H ALA 18 H ALA 18 1.264 -6.702 -12.879 132 HA ALA 18 HA ALA 18 2.781 -5.465 -11.822 133 1HB ALA 18 1HB ALA 18 3.660 -4.241 -14.467 134 2HB ALA 18 2HB ALA 18 4.522 -4.248 -12.923 135 3HB ALA 18 3HB ALA 18 4.260 -5.774 -13.792 136 H ALA 19 H ALA 19 1.285 -3.436 -14.376 137 HA ALA 19 HA ALA 19 1.486 -0.957 -13.246 138 1HB ALA 19 1HB ALA 19 -0.491 -0.318 -14.566 139 2HB ALA 19 2HB ALA 19 0.583 -1.391 -15.485 140 3HB ALA 19 3HB ALA 19 -0.918 -2.031 -14.777 141 H CYS 20 H CYS 20 -1.165 -3.271 -12.471 142 HA CYS 20 HA CYS 20 -2.625 -1.527 -10.903 143 1HB CYS 20 2HB CYS 20 -2.439 -4.553 -10.904 144 2HB CYS 20 3HB CYS 20 -3.440 -3.700 -9.723 145 H ALA 21 H ALA 21 0.412 -3.055 -10.087 146 HA ALA 21 HA ALA 21 0.296 -2.866 -7.249 147 1HB ALA 21 1HB ALA 21 2.036 -4.037 -8.698 148 2HB ALA 21 2HB ALA 21 2.748 -2.435 -8.991 149 3HB ALA 21 3HB ALA 21 2.658 -3.105 -7.350 150 H ALA 22 H ALA 22 0.750 -0.397 -9.807 151 HA ALA 22 HA ALA 22 1.460 1.729 -7.908 152 1HB ALA 22 1HB ALA 22 2.150 1.827 -10.294 153 2HB ALA 22 2HB ALA 22 0.440 1.887 -10.776 154 3HB ALA 22 3HB ALA 22 1.136 3.204 -9.816 155 H ARG 23 H ARG 23 -1.407 0.518 -9.664 156 HA ARG 23 HA ARG 23 -3.198 2.536 -8.924 157 1HB ARG 23 2HB ARG 23 -3.649 -0.400 -9.504 158 2HB ARG 23 3HB ARG 23 -4.976 0.590 -9.070 159 1HG ARG 23 2HG ARG 23 -3.106 1.335 -11.357 160 2HG ARG 23 3HG ARG 23 -4.544 0.336 -11.575 161 1HD ARG 23 2HD ARG 23 -4.580 3.221 -10.509 162 2HD ARG 23 3HD ARG 23 -4.947 2.698 -12.135 163 HE ARG 23 HE ARG 23 -6.939 1.758 -11.534 164 1HH1 ARG 23 2HH2 ARG 23 -5.326 2.821 -8.543 165 2HH1 ARG 23 1HH2 ARG 23 -6.744 2.730 -7.579 166 1HH2 ARG 23 2HH1 ARG 23 -8.814 1.607 -10.247 167 2HH2 ARG 23 1HH1 ARG 23 -8.780 2.026 -8.569 168 H ILE 24 H ILE 24 -2.393 -0.465 -7.064 169 HA ILE 24 HA ILE 24 -4.341 0.136 -5.113 170 HB ILE 24 HB ILE 24 -3.489 -1.443 -3.649 171 1HG1 ILE 24 2HG1 ILE 24 -0.990 -1.142 -5.257 172 2HG1 ILE 24 3HG1 ILE 24 -1.248 -1.057 -3.494 173 1HG2 ILE 24 1HG2 ILE 24 -4.641 -2.085 -5.841 174 2HG2 ILE 24 2HG2 ILE 24 -3.040 -2.570 -6.427 175 3HG2 ILE 24 3HG2 ILE 24 -3.740 -3.339 -4.988 176 1HD1 ILE 24 1HD1 ILE 24 -1.635 -3.533 -3.499 177 2HD1 ILE 24 2HD1 ILE 24 -1.200 -3.529 -5.234 178 3HD1 ILE 24 3HD1 ILE 24 -0.002 -3.058 -4.024 179 H GLU 25 H GLU 25 -0.759 0.797 -4.680 180 HA GLU 25 HA GLU 25 -0.820 2.529 -2.563 181 1HB GLU 25 2HB GLU 25 0.776 2.366 -5.090 182 2HB GLU 25 3HB GLU 25 0.986 3.798 -4.087 183 1HG GLU 25 2HG GLU 25 2.577 1.877 -3.568 184 2HG GLU 25 3HG GLU 25 1.683 2.438 -2.164 185 H LYS 26 H LYS 26 -1.771 3.396 -5.840 186 HA LYS 26 HA LYS 26 -2.220 6.208 -5.052 187 1HB LYS 26 2HB LYS 26 -2.630 4.823 -7.710 188 2HB LYS 26 3HB LYS 26 -2.803 6.554 -7.405 189 1HG LYS 26 2HG LYS 26 -0.246 4.896 -7.062 190 2HG LYS 26 3HG LYS 26 -0.582 6.002 -8.386 191 1HD LYS 26 2HD LYS 26 -0.546 7.912 -6.824 192 2HD LYS 26 3HD LYS 26 -0.284 6.826 -5.444 193 1HE LYS 26 2HE LYS 26 1.827 6.017 -6.382 194 2HE LYS 26 3HE LYS 26 1.681 7.174 -7.717 195 1HZ LYS 26 1HZ LYS 26 1.891 7.914 -4.816 196 2HZ LYS 26 2HZ LYS 26 3.085 7.958 -5.904 197 3HZ LYS 26 3HZ LYS 26 1.791 8.953 -6.055 198 H GLY 27 H GLY 27 -4.121 3.398 -5.082 199 1HA GLY 27 2HA GLY 27 -6.652 4.849 -4.608 200 2HA GLY 27 3HA GLY 27 -6.319 3.138 -4.318 201 H LEU 28 H LEU 28 -3.997 3.306 -2.734 202 HA LEU 28 HA LEU 28 -5.241 3.581 -0.168 203 1HB LEU 28 2HB LEU 28 -2.333 3.288 -0.967 204 2HB LEU 28 3HB LEU 28 -2.886 3.245 0.702 205 HG LEU 28 HG LEU 28 -4.100 1.303 -1.320 206 1HD1 LEU 28 1HD1 LEU 28 -1.780 0.896 -1.590 207 2HD1 LEU 28 2HD1 LEU 28 -1.433 1.121 0.132 208 3HD1 LEU 28 3HD1 LEU 28 -2.328 -0.306 -0.439 209 1HD2 LEU 28 1HD2 LEU 28 -4.646 0.016 0.545 210 2HD2 LEU 28 2HD2 LEU 28 -3.516 0.891 1.582 211 3HD2 LEU 28 3HD2 LEU 28 -5.030 1.670 1.067 212 H LYS 29 H LYS 29 -2.999 5.656 -1.970 213 HA LYS 29 HA LYS 29 -2.577 7.743 -0.213 214 1HB LYS 29 2HB LYS 29 -1.658 7.360 -2.501 215 2HB LYS 29 3HB LYS 29 -3.144 8.000 -3.207 216 1HG LYS 29 2HG LYS 29 -1.542 9.591 -1.180 217 2HG LYS 29 3HG LYS 29 -0.971 9.451 -2.854 218 1HD LYS 29 2HD LYS 29 -3.405 10.357 -3.419 219 2HD LYS 29 3HD LYS 29 -3.343 10.909 -1.726 220 1HE LYS 29 2HE LYS 29 -1.026 11.914 -2.288 221 2HE LYS 29 3HE LYS 29 -1.395 11.599 -3.977 222 1HZ LYS 29 1HZ LYS 29 -2.937 13.298 -2.127 223 2HZ LYS 29 2HZ LYS 29 -1.944 13.820 -3.328 224 3HZ LYS 29 3HZ LYS 29 -3.339 13.029 -3.706 225 H ARG 30 H ARG 30 -5.648 6.900 -1.728 226 HA ARG 30 HA ARG 30 -6.799 9.574 -1.324 227 1HB ARG 30 2HB ARG 30 -7.341 7.237 -2.921 228 2HB ARG 30 3HB ARG 30 -8.769 7.553 -1.968 229 1HG ARG 30 2HG ARG 30 -8.977 9.772 -2.865 230 2HG ARG 30 3HG ARG 30 -7.332 9.753 -3.529 231 1HD ARG 30 2HD ARG 30 -9.570 7.916 -4.459 232 2HD ARG 30 3HD ARG 30 -9.069 9.427 -5.259 233 HE ARG 30 HE ARG 30 -6.785 7.729 -4.869 234 1HH1 ARG 30 2HH2 ARG 30 -9.661 7.976 -6.882 235 2HH1 ARG 30 1HH2 ARG 30 -8.956 7.208 -8.271 236 1HH2 ARG 30 2HH1 ARG 30 -5.833 6.693 -6.582 237 2HH2 ARG 30 1HH1 ARG 30 -6.655 6.473 -8.114 238 H MET 31 H MET 31 -6.048 7.161 0.864 239 HA MET 31 HA MET 31 -8.648 7.236 2.253 240 1HB MET 31 2HB MET 31 -6.144 5.610 2.807 241 2HB MET 31 3HB MET 31 -7.741 5.329 3.490 242 1HG MET 31 2HG MET 31 -6.941 5.063 0.555 243 2HG MET 31 3HG MET 31 -7.260 3.789 1.692 244 1HE MET 31 1HE MET 31 -9.837 3.663 2.836 245 2HE MET 31 2HE MET 31 -10.123 5.412 2.946 246 3HE MET 31 3HE MET 31 -11.255 4.401 2.047 247 HA PRO 32 HA PRO 32 -7.328 10.198 5.222 248 1HB PRO 32 2HB PRO 32 -8.508 9.337 7.567 249 2HB PRO 32 3HB PRO 32 -9.408 10.090 6.218 250 1HG PRO 32 2HG PRO 32 -9.055 7.139 6.782 251 2HG PRO 32 3HG PRO 32 -10.578 8.009 6.423 252 1HD PRO 32 2HD PRO 32 -9.227 6.668 4.524 253 2HD PRO 32 3HD PRO 32 -9.980 8.240 4.116 254 H GLY 33 H GLY 33 -5.502 10.462 6.449 255 1HA GLY 33 2HA GLY 33 -3.801 9.834 7.941 256 2HA GLY 33 3HA GLY 33 -4.184 8.123 7.733 257 H VAL 34 H VAL 34 -4.281 8.371 4.672 258 HA VAL 34 HA VAL 34 -1.378 7.937 4.427 259 HB VAL 34 HB VAL 34 -3.500 7.515 2.314 260 1HG1 VAL 34 1HG1 VAL 34 -1.811 5.891 1.458 261 2HG1 VAL 34 2HG1 VAL 34 -1.112 7.517 1.554 262 3HG1 VAL 34 3HG1 VAL 34 -0.726 6.316 2.793 263 1HG2 VAL 34 1HG2 VAL 34 -2.549 5.674 4.541 264 2HG2 VAL 34 2HG2 VAL 34 -4.213 6.184 4.222 265 3HG2 VAL 34 3HG2 VAL 34 -3.402 5.093 3.095 266 H THR 35 H THR 35 0.043 9.304 3.360 267 HA THR 35 HA THR 35 -1.192 11.755 2.165 268 HB THR 35 HB THR 35 0.518 11.738 4.171 269 HG1 THR 35 1HG THR 35 0.451 13.596 2.033 270 1HG2 THR 35 1HG2 THR 35 2.438 10.760 2.951 271 2HG2 THR 35 2HG2 THR 35 2.373 12.095 1.772 272 3HG2 THR 35 3HG2 THR 35 2.752 12.425 3.464 273 H ASP 36 H ASP 36 1.349 9.286 1.617 274 HA ASP 36 HA ASP 36 0.496 9.066 -1.048 275 1HB ASP 36 2HB ASP 36 2.420 10.992 -1.033 276 2HB ASP 36 3HB ASP 36 3.410 9.547 -1.265 277 H ALA 37 H ALA 37 2.066 7.514 -2.257 278 HA ALA 37 HA ALA 37 3.076 5.419 -0.559 279 1HB ALA 37 1HB ALA 37 0.451 5.365 -0.450 280 2HB ALA 37 2HB ALA 37 0.541 4.761 -2.100 281 3HB ALA 37 3HB ALA 37 1.303 3.868 -0.753 282 H ASN 38 H ASN 38 4.052 3.663 -1.792 283 HA ASN 38 HA ASN 38 4.770 4.384 -4.569 284 1HB ASN 38 2HB ASN 38 7.256 4.272 -3.216 285 2HB ASN 38 3HB ASN 38 6.507 5.646 -4.005 286 1HD2 ASN 38 1HD2 ASN 38 5.852 3.992 -0.837 287 2HD2 ASN 38 2HD2 ASN 38 6.118 5.458 0.104 288 H VAL 39 H VAL 39 4.914 2.474 -5.546 289 HA VAL 39 HA VAL 39 5.353 0.061 -3.978 290 HB VAL 39 HB VAL 39 3.366 0.476 -5.340 291 1HG1 VAL 39 1HG1 VAL 39 4.447 1.566 -7.342 292 2HG1 VAL 39 2HG1 VAL 39 5.032 -0.037 -7.837 293 3HG1 VAL 39 3HG1 VAL 39 3.313 0.266 -7.713 294 1HG2 VAL 39 1HG2 VAL 39 4.612 -1.951 -6.514 295 2HG2 VAL 39 2HG2 VAL 39 4.450 -1.842 -4.741 296 3HG2 VAL 39 3HG2 VAL 39 3.021 -1.694 -5.753 297 H ASN 40 H ASN 40 7.511 -0.336 -3.640 298 HA ASN 40 HA ASN 40 9.459 0.245 -5.776 299 1HB ASN 40 2HB ASN 40 9.820 0.870 -3.377 300 2HB ASN 40 3HB ASN 40 9.893 -0.852 -2.973 301 1HD2 ASN 40 1HD2 ASN 40 12.081 0.336 -2.219 302 2HD2 ASN 40 2HD2 ASN 40 13.396 0.172 -3.372 303 H LEU 41 H LEU 41 7.907 -1.481 -6.847 304 HA LEU 41 HA LEU 41 8.358 -4.258 -6.224 305 1HB LEU 41 2HB LEU 41 6.815 -2.669 -8.168 306 2HB LEU 41 3HB LEU 41 7.470 -4.117 -8.908 307 HG LEU 41 HG LEU 41 5.166 -4.229 -7.874 308 1HD1 LEU 41 1HD1 LEU 41 7.247 -6.320 -7.121 309 2HD1 LEU 41 2HD1 LEU 41 5.493 -6.581 -7.156 310 3HD1 LEU 41 3HD1 LEU 41 6.360 -6.204 -8.652 311 1HD2 LEU 41 1HD2 LEU 41 4.801 -4.326 -5.608 312 2HD2 LEU 41 2HD2 LEU 41 6.417 -4.955 -5.238 313 3HD2 LEU 41 3HD2 LEU 41 6.191 -3.236 -5.575 314 H ALA 42 H ALA 42 10.186 -1.962 -8.030 315 HA ALA 42 HA ALA 42 11.926 -3.516 -9.554 316 1HB ALA 42 1HB ALA 42 13.632 -1.851 -8.962 317 2HB ALA 42 2HB ALA 42 12.080 -1.048 -9.305 318 3HB ALA 42 3HB ALA 42 12.630 -1.271 -7.622 319 H THR 43 H THR 43 11.650 -3.314 -5.975 320 HA THR 43 HA THR 43 13.531 -5.605 -5.855 321 HB THR 43 HB THR 43 14.638 -3.536 -5.212 322 HG1 THR 43 1HG THR 43 15.518 -4.484 -3.294 323 1HG2 THR 43 1HG2 THR 43 12.620 -2.558 -3.947 324 2HG2 THR 43 2HG2 THR 43 13.069 -3.617 -2.602 325 3HG2 THR 43 3HG2 THR 43 14.207 -2.388 -3.171 326 H GLU 44 H GLU 44 10.726 -5.740 -6.186 327 HA GLU 44 HA GLU 44 8.797 -6.522 -5.222 328 1HB GLU 44 2HB GLU 44 11.109 -8.280 -4.481 329 2HB GLU 44 3HB GLU 44 9.539 -8.700 -3.810 330 1HG GLU 44 2HG GLU 44 9.811 -8.187 -6.783 331 2HG GLU 44 3HG GLU 44 10.136 -9.767 -6.053 332 H THR 45 H THR 45 9.167 -4.267 -3.836 333 HA THR 45 HA THR 45 8.106 -5.047 -1.215 334 HB THR 45 HB THR 45 10.298 -2.948 -1.682 335 HG1 THR 45 1HG THR 45 11.099 -5.156 -1.823 336 1HG2 THR 45 1HG2 THR 45 8.803 -2.494 0.188 337 2HG2 THR 45 2HG2 THR 45 8.967 -4.192 0.731 338 3HG2 THR 45 3HG2 THR 45 10.362 -3.077 0.826 339 H VAL 46 H VAL 46 6.627 -3.434 -0.409 340 HA VAL 46 HA VAL 46 6.102 -1.111 -2.208 341 HB VAL 46 HB VAL 46 4.352 -2.735 -2.562 342 1HG1 VAL 46 1HG1 VAL 46 2.793 -3.403 -0.756 343 2HG1 VAL 46 2HG1 VAL 46 4.420 -3.972 -0.368 344 3HG1 VAL 46 3HG1 VAL 46 3.767 -2.515 0.417 345 1HG2 VAL 46 1HG2 VAL 46 3.305 -0.464 -0.828 346 2HG2 VAL 46 2HG2 VAL 46 3.719 -0.350 -2.553 347 3HG2 VAL 46 3HG2 VAL 46 2.434 -1.449 -2.019 348 H ASN 47 H ASN 47 5.723 0.856 -1.170 349 HA ASN 47 HA ASN 47 6.117 0.885 1.765 350 1HB ASN 47 2HB ASN 47 7.439 2.545 -0.433 351 2HB ASN 47 3HB ASN 47 7.292 3.152 1.217 352 1HD2 ASN 47 1HD2 ASN 47 8.165 1.632 2.987 353 2HD2 ASN 47 2HD2 ASN 47 9.791 1.085 2.624 354 H VAL 48 H VAL 48 4.858 2.556 2.839 355 HA VAL 48 HA VAL 48 3.027 4.109 1.130 356 HB VAL 48 HB VAL 48 2.069 2.375 3.413 357 1HG1 VAL 48 1HG1 VAL 48 0.437 3.929 1.364 358 2HG1 VAL 48 2HG1 VAL 48 -0.135 3.158 2.841 359 3HG1 VAL 48 3HG1 VAL 48 0.879 4.610 2.930 360 1HG2 VAL 48 1HG2 VAL 48 1.621 1.969 0.430 361 2HG2 VAL 48 2HG2 VAL 48 2.556 0.917 1.495 362 3HG2 VAL 48 3HG2 VAL 48 0.813 1.083 1.734 363 H ILE 49 H ILE 49 2.982 6.154 1.885 364 HA ILE 49 HA ILE 49 4.472 6.739 4.331 365 HB ILE 49 HB ILE 49 3.653 8.605 2.056 366 1HG1 ILE 49 2HG1 ILE 49 5.009 6.958 1.000 367 2HG1 ILE 49 3HG1 ILE 49 5.935 8.438 1.198 368 1HG2 ILE 49 1HG2 ILE 49 4.187 9.760 4.119 369 2HG2 ILE 49 2HG2 ILE 49 5.728 8.901 4.248 370 3HG2 ILE 49 3HG2 ILE 49 5.438 10.029 2.897 371 1HD1 ILE 49 1HD1 ILE 49 6.192 5.933 2.918 372 2HD1 ILE 49 2HD1 ILE 49 7.346 6.526 1.711 373 3HD1 ILE 49 3HD1 ILE 49 7.075 7.451 3.197 374 H TYR 50 H TYR 50 2.989 6.799 6.043 375 HA TYR 50 HA TYR 50 0.512 8.417 5.693 376 1HB TYR 50 2HB TYR 50 -0.867 6.682 6.695 377 2HB TYR 50 3HB TYR 50 -0.178 6.178 5.173 378 HD1 TYR 50 HD1 TYR 50 0.702 3.997 5.043 379 HD2 TYR 50 HD2 TYR 50 0.501 5.911 8.887 380 HE1 TYR 50 HE1 TYR 50 0.827 1.801 6.145 381 HE2 TYR 50 HE2 TYR 50 0.813 3.738 9.988 382 HH TYR 50 HH TYR 50 0.912 0.699 8.156 383 H ASP 51 H ASP 51 -0.626 8.766 7.691 384 HA ASP 51 HA ASP 51 1.224 9.422 9.868 385 1HB ASP 51 2HB ASP 51 -0.290 11.162 9.386 386 2HB ASP 51 3HB ASP 51 -1.678 10.066 9.443 387 HA PRO 52 HA PRO 52 0.006 5.472 11.671 388 1HB PRO 52 2HB PRO 52 1.908 5.239 13.562 389 2HB PRO 52 3HB PRO 52 2.344 5.316 11.831 390 1HG PRO 52 2HG PRO 52 2.294 7.628 13.808 391 2HG PRO 52 3HG PRO 52 3.658 7.120 12.769 392 1HD PRO 52 2HD PRO 52 1.907 9.082 12.018 393 2HD PRO 52 3HD PRO 52 2.608 7.934 10.835 394 H ALA 53 H ALA 53 -1.036 8.381 12.855 395 HA ALA 53 HA ALA 53 -2.019 7.248 15.430 396 1HB ALA 53 1HB ALA 53 -2.755 9.502 15.904 397 2HB ALA 53 2HB ALA 53 -1.025 9.530 15.504 398 3HB ALA 53 3HB ALA 53 -2.226 10.080 14.320 399 H GLU 54 H GLU 54 -2.920 8.722 12.296 400 HA GLU 54 HA GLU 54 -5.747 8.165 12.666 401 1HB GLU 54 2HB GLU 54 -4.127 9.805 10.891 402 2HB GLU 54 3HB GLU 54 -5.129 8.723 9.914 403 1HG GLU 54 2HG GLU 54 -6.390 10.702 10.239 404 2HG GLU 54 3HG GLU 54 -7.139 9.471 11.265 405 H THR 55 H THR 55 -3.052 6.817 10.759 406 HA THR 55 HA THR 55 -4.585 4.268 10.690 407 HB THR 55 HB THR 55 -3.357 3.567 8.618 408 HG1 THR 55 1HG THR 55 -2.390 6.104 8.949 409 1HG2 THR 55 1HG2 THR 55 -5.579 3.925 8.639 410 2HG2 THR 55 2HG2 THR 55 -5.432 5.710 8.515 411 3HG2 THR 55 3HG2 THR 55 -4.886 4.674 7.168 412 H GLY 56 H GLY 56 -1.678 3.454 9.616 413 1HA GLY 56 2HA GLY 56 -0.558 1.810 11.171 414 2HA GLY 56 3HA GLY 56 -2.062 1.905 12.100 415 H THR 57 H THR 57 -0.689 0.197 9.985 416 HA THR 57 HA THR 57 -1.486 -0.543 7.714 417 HB THR 57 HB THR 57 -1.198 -2.974 8.463 418 HG1 THR 57 1HG THR 57 -1.947 -2.889 10.546 419 1HG2 THR 57 1HG2 THR 57 0.910 -1.068 9.562 420 2HG2 THR 57 2HG2 THR 57 1.127 -2.728 9.002 421 3HG2 THR 57 3HG2 THR 57 0.727 -1.463 7.830 422 H ALA 58 H ALA 58 -3.568 -0.895 10.474 423 HA ALA 58 HA ALA 58 -5.721 -2.384 9.848 424 1HB ALA 58 1HB ALA 58 -7.039 -0.623 10.968 425 2HB ALA 58 2HB ALA 58 -5.491 -0.887 11.800 426 3HB ALA 58 3HB ALA 58 -5.693 0.523 10.746 427 H ALA 59 H ALA 59 -5.139 0.825 8.489 428 HA ALA 59 HA ALA 59 -7.777 0.515 7.033 429 1HB ALA 59 1HB ALA 59 -5.820 2.773 6.716 430 2HB ALA 59 2HB ALA 59 -7.470 2.704 6.084 431 3HB ALA 59 3HB ALA 59 -7.230 2.753 7.839 432 H ILE 60 H ILE 60 -4.384 0.748 6.355 433 HA ILE 60 HA ILE 60 -4.370 0.632 3.596 434 HB ILE 60 HB ILE 60 -2.476 0.108 5.852 435 1HG1 ILE 60 2HG1 ILE 60 -1.040 1.531 4.198 436 2HG1 ILE 60 3HG1 ILE 60 -2.540 1.733 3.300 437 1HG2 ILE 60 1HG2 ILE 60 -1.896 -1.857 4.507 438 2HG2 ILE 60 2HG2 ILE 60 -1.589 -0.778 3.117 439 3HG2 ILE 60 3HG2 ILE 60 -0.642 -0.627 4.630 440 1HD1 ILE 60 1HD1 ILE 60 -3.544 2.795 5.358 441 2HD1 ILE 60 2HD1 ILE 60 -2.085 2.372 6.291 442 3HD1 ILE 60 3HD1 ILE 60 -1.983 3.565 4.996 443 H GLN 61 H GLN 61 -4.398 -2.091 5.902 444 HA GLN 61 HA GLN 61 -4.149 -4.129 3.887 445 1HB GLN 61 2HB GLN 61 -4.552 -4.075 6.784 446 2HB GLN 61 3HB GLN 61 -5.591 -5.237 5.962 447 1HG GLN 61 2HG GLN 61 -3.749 -6.494 6.494 448 2HG GLN 61 3HG GLN 61 -3.611 -6.190 4.766 449 1HE2 GLN 61 1HE2 GLN 61 -2.747 -3.246 6.167 450 2HE2 GLN 61 2HE2 GLN 61 -1.023 -3.563 6.282 451 H GLU 62 H GLU 62 -6.923 -2.753 5.730 452 HA GLU 62 HA GLU 62 -9.035 -4.131 4.663 453 1HB GLU 62 2HB GLU 62 -8.653 -1.670 6.124 454 2HB GLU 62 3HB GLU 62 -9.719 -1.279 4.783 455 1HG GLU 62 2HG GLU 62 -10.161 -3.540 6.770 456 2HG GLU 62 3HG GLU 62 -10.974 -1.968 6.782 457 H LYS 63 H LYS 63 -7.612 -1.128 3.241 458 HA LYS 63 HA LYS 63 -9.225 -1.346 0.898 459 1HB LYS 63 2HB LYS 63 -6.927 0.331 1.876 460 2HB LYS 63 3HB LYS 63 -7.413 0.416 0.205 461 1HG LYS 63 2HG LYS 63 -9.348 0.802 2.540 462 2HG LYS 63 3HG LYS 63 -8.405 2.076 1.789 463 1HD LYS 63 2HD LYS 63 -10.534 2.289 0.896 464 2HD LYS 63 3HD LYS 63 -9.505 1.689 -0.402 465 1HE LYS 63 2HE LYS 63 -10.616 -0.391 -0.440 466 2HE LYS 63 3HE LYS 63 -11.181 -0.244 1.250 467 1HZ LYS 63 1HZ LYS 63 -12.718 1.420 0.523 468 2HZ LYS 63 2HZ LYS 63 -12.194 1.302 -1.036 469 3HZ LYS 63 3HZ LYS 63 -12.942 0.029 -0.317 470 H ILE 64 H ILE 64 -5.894 -2.395 1.661 471 HA ILE 64 HA ILE 64 -4.898 -2.884 -0.826 472 HB ILE 64 HB ILE 64 -4.504 -3.816 1.862 473 1HG1 ILE 64 2HG1 ILE 64 -3.244 -1.990 0.828 474 2HG1 ILE 64 3HG1 ILE 64 -2.271 -3.283 1.512 475 1HG2 ILE 64 1HG2 ILE 64 -4.636 -6.009 1.186 476 2HG2 ILE 64 2HG2 ILE 64 -3.694 -5.717 -0.298 477 3HG2 ILE 64 3HG2 ILE 64 -2.925 -5.620 1.306 478 1HD1 ILE 64 1HD1 ILE 64 -2.089 -4.250 -0.827 479 2HD1 ILE 64 2HD1 ILE 64 -2.790 -2.728 -1.411 480 3HD1 ILE 64 3HD1 ILE 64 -1.255 -2.713 -0.514 481 H GLU 65 H GLU 65 -6.867 -4.970 1.365 482 HA GLU 65 HA GLU 65 -7.396 -7.196 -0.279 483 1HB GLU 65 2HB GLU 65 -9.055 -5.952 1.957 484 2HB GLU 65 3HB GLU 65 -9.353 -7.535 1.240 485 1HG GLU 65 2HG GLU 65 -6.760 -6.794 2.616 486 2HG GLU 65 3HG GLU 65 -8.117 -7.598 3.406 487 H LYS 66 H LYS 66 -9.606 -4.396 0.368 488 HA LYS 66 HA LYS 66 -11.544 -5.232 -1.521 489 1HB LYS 66 2HB LYS 66 -10.921 -2.635 -0.144 490 2HB LYS 66 3HB LYS 66 -11.921 -2.560 -1.595 491 1HG LYS 66 2HG LYS 66 -13.524 -2.741 0.006 492 2HG LYS 66 3HG LYS 66 -13.374 -4.414 -0.526 493 1HD LYS 66 2HD LYS 66 -11.862 -4.833 1.482 494 2HD LYS 66 3HD LYS 66 -12.120 -3.150 1.962 495 1HE LYS 66 2HE LYS 66 -14.682 -3.721 1.834 496 2HE LYS 66 3HE LYS 66 -14.159 -5.415 1.832 497 1HZ LYS 66 1HZ LYS 66 -13.525 -3.386 3.898 498 2HZ LYS 66 2HZ LYS 66 -14.615 -4.620 4.081 499 3HZ LYS 66 3HZ LYS 66 -12.978 -4.851 3.974 500 H LEU 67 H LEU 67 -8.603 -3.363 -2.091 501 HA LEU 67 HA LEU 67 -9.247 -2.612 -4.807 502 1HB LEU 67 2HB LEU 67 -6.670 -2.685 -3.231 503 2HB LEU 67 3HB LEU 67 -6.775 -2.102 -4.892 504 HG LEU 67 HG LEU 67 -8.580 -0.927 -2.745 505 1HD1 LEU 67 1HD1 LEU 67 -6.942 0.837 -2.377 506 2HD1 LEU 67 2HD1 LEU 67 -6.218 -0.731 -1.972 507 3HD1 LEU 67 3HD1 LEU 67 -5.811 0.059 -3.499 508 1HD2 LEU 67 1HD2 LEU 67 -9.149 -0.390 -5.097 509 2HD2 LEU 67 2HD2 LEU 67 -8.539 1.036 -4.248 510 3HD2 LEU 67 3HD2 LEU 67 -7.484 0.163 -5.377 511 H GLY 68 H GLY 68 -8.235 -5.588 -3.338 512 1HA GLY 68 2HA GLY 68 -8.360 -7.608 -4.439 513 2HA GLY 68 3HA GLY 68 -8.090 -6.842 -6.007 514 H TYR 69 H TYR 69 -6.129 -6.386 -3.025 515 HA TYR 69 HA TYR 69 -3.904 -8.016 -4.188 516 1HB TYR 69 2HB TYR 69 -3.950 -5.153 -3.389 517 2HB TYR 69 3HB TYR 69 -2.669 -6.089 -2.647 518 HD1 TYR 69 HD1 TYR 69 -0.661 -6.455 -3.793 519 HD2 TYR 69 HD2 TYR 69 -4.257 -5.608 -6.018 520 HE1 TYR 69 HE1 TYR 69 0.664 -6.207 -5.854 521 HE2 TYR 69 HE2 TYR 69 -2.955 -5.406 -8.064 522 HH TYR 69 HH TYR 69 -0.786 -5.047 -8.896 523 H HIS 70 H HIS 70 -2.370 -8.636 -2.415 524 HA HIS 70 HA HIS 70 -3.376 -8.262 0.341 525 1HB HIS 70 2HB HIS 70 -4.109 -10.548 -0.311 526 2HB HIS 70 3HB HIS 70 -2.446 -10.954 -0.758 527 HD1 HIS 70 1HD HIS 70 -4.439 -9.862 2.385 528 HD2 HIS 70 2HD HIS 70 -0.989 -11.973 1.199 529 HE1 HIS 70 1HE HIS 70 -3.446 -10.902 4.499 530 H VAL 71 H VAL 71 -1.548 -7.569 1.622 531 HA VAL 71 HA VAL 71 1.055 -7.653 0.271 532 HB VAL 71 HB VAL 71 1.746 -6.191 2.028 533 1HG1 VAL 71 1HG1 VAL 71 0.607 -4.158 1.231 534 2HG1 VAL 71 2HG1 VAL 71 0.998 -5.271 -0.095 535 3HG1 VAL 71 3HG1 VAL 71 -0.661 -5.182 0.525 536 1HG2 VAL 71 1HG2 VAL 71 -1.179 -5.982 2.894 537 2HG2 VAL 71 2HG2 VAL 71 0.099 -6.788 3.821 538 3HG2 VAL 71 3HG2 VAL 71 0.179 -5.044 3.532 539 H VAL 72 H VAL 72 2.818 -8.637 1.281 540 HA VAL 72 HA VAL 72 2.066 -10.769 3.238 541 HB VAL 72 HB VAL 72 4.544 -10.867 1.636 542 1HG1 VAL 72 1HG1 VAL 72 2.772 -13.020 2.838 543 2HG1 VAL 72 2HG1 VAL 72 4.336 -13.266 2.035 544 3HG1 VAL 72 3HG1 VAL 72 4.263 -12.386 3.567 545 1HG2 VAL 72 1HG2 VAL 72 2.818 -10.670 -0.105 546 2HG2 VAL 72 2HG2 VAL 72 3.333 -12.355 0.003 547 3HG2 VAL 72 3HG2 VAL 72 1.798 -11.854 0.745 548 H ILE 73 H ILE 73 3.009 -10.721 5.158 549 HA ILE 73 HA ILE 73 4.810 -8.421 5.810 550 HB ILE 73 HB ILE 73 2.916 -9.828 7.679 551 1HG1 ILE 73 2HG1 ILE 73 1.507 -8.786 6.024 552 2HG1 ILE 73 3HG1 ILE 73 1.526 -7.855 7.515 553 1HG2 ILE 73 1HG2 ILE 73 3.352 -7.848 9.086 554 2HG2 ILE 73 2HG2 ILE 73 4.866 -8.675 8.694 555 3HG2 ILE 73 3HG2 ILE 73 4.459 -7.191 7.859 556 1HD1 ILE 73 1HD1 ILE 73 2.990 -7.119 4.968 557 2HD1 ILE 73 2HD1 ILE 73 1.537 -6.355 5.621 558 3HD1 ILE 73 3HD1 ILE 73 3.064 -6.188 6.483 559 H GLU 74 H GLU 74 6.555 -10.018 5.009 560 HA GLU 74 HA GLU 74 7.064 -12.270 6.524 561 1HB GLU 74 2HB GLU 74 8.750 -10.676 4.579 562 2HB GLU 74 3HB GLU 74 9.199 -12.254 5.217 563 1HG GLU 74 2HG GLU 74 7.112 -13.245 4.301 564 2HG GLU 74 3HG GLU 74 6.675 -11.682 3.587 565 H GLY 75 H GLY 75 7.532 -9.179 7.278 566 1HA GLY 75 2HA GLY 75 9.479 -9.705 9.519 567 2HA GLY 75 3HA GLY 75 9.144 -8.104 8.835 568 H ARG 76 H ARG 76 7.319 -10.930 10.085 569 HA ARG 76 HA ARG 76 5.067 -9.300 10.776 570 1HB ARG 76 2HB ARG 76 4.821 -11.651 10.031 571 2HB ARG 76 3HB ARG 76 5.717 -12.196 11.454 572 1HG ARG 76 2HG ARG 76 3.309 -12.544 11.715 573 2HG ARG 76 3HG ARG 76 3.936 -11.437 12.933 574 1HD ARG 76 2HD ARG 76 3.085 -9.500 11.415 575 2HD ARG 76 3HD ARG 76 2.362 -10.744 10.405 576 HE ARG 76 HE ARG 76 0.690 -10.997 11.967 577 1HH1 ARG 76 2HH2 ARG 76 3.417 -9.276 13.537 578 2HH1 ARG 76 1HH2 ARG 76 2.463 -8.685 14.842 579 1HH2 ARG 76 2HH1 ARG 76 -0.561 -10.236 13.749 580 2HH2 ARG 76 1HH1 ARG 76 0.173 -9.279 14.996 Start of MODEL 24 1 1H MET 1 H1 MET 1 -4.473 17.718 15.258 2 2H MET 1 H2 MET 1 -5.290 18.763 16.249 3 3H MET 1 H3 MET 1 -4.146 19.328 15.195 4 HA MET 1 HA MET 1 -3.272 19.340 17.382 5 1HB MET 1 2HB MET 1 -4.085 16.420 17.278 6 2HB MET 1 3HB MET 1 -2.702 16.935 18.259 7 1HG MET 1 2HG MET 1 -4.039 18.516 19.493 8 2HG MET 1 3HG MET 1 -5.490 18.082 18.570 9 1HE MET 1 1HE MET 1 -6.011 16.680 22.239 10 2HE MET 1 2HE MET 1 -5.030 18.105 21.827 11 3HE MET 1 3HE MET 1 -6.600 17.838 21.022 12 H LEU 2 H LEU 2 -2.107 16.191 16.157 13 HA LEU 2 HA LEU 2 0.002 17.483 14.598 14 1HB LEU 2 2HB LEU 2 0.478 17.367 17.190 15 2HB LEU 2 3HB LEU 2 0.725 15.646 16.928 16 HG LEU 2 HG LEU 2 2.188 17.721 15.237 17 1HD1 LEU 2 1HD1 LEU 2 3.997 17.751 16.915 18 2HD1 LEU 2 2HD1 LEU 2 2.496 18.426 17.569 19 3HD1 LEU 2 3HD1 LEU 2 2.996 16.780 18.019 20 1HD2 LEU 2 1HD2 LEU 2 2.432 15.305 14.617 21 2HD2 LEU 2 2HD2 LEU 2 3.953 15.992 15.193 22 3HD2 LEU 2 3HD2 LEU 2 2.991 14.955 16.264 23 H SER 3 H SER 3 0.667 16.062 13.015 24 HA SER 3 HA SER 3 -0.324 13.248 13.041 25 1HB SER 3 2HB SER 3 -0.543 15.351 10.838 26 2HB SER 3 3HB SER 3 -0.636 13.610 10.535 27 HG SER 3 HG SER 3 -2.359 13.407 11.796 28 H GLU 4 H GLU 4 1.646 12.331 13.497 29 HA GLU 4 HA GLU 4 4.151 13.127 12.323 30 1HB GLU 4 2HB GLU 4 3.095 10.809 13.871 31 2HB GLU 4 3HB GLU 4 4.738 10.814 13.268 32 1HG GLU 4 2HG GLU 4 5.374 12.587 14.558 33 2HG GLU 4 3HG GLU 4 3.715 13.103 14.863 34 H GLN 5 H GLN 5 5.333 11.203 11.063 35 HA GLN 5 HA GLN 5 3.512 9.839 9.179 36 1HB GLN 5 2HB GLN 5 5.973 11.487 8.567 37 2HB GLN 5 3HB GLN 5 5.302 10.365 7.394 38 1HG GLN 5 2HG GLN 5 3.571 12.580 8.620 39 2HG GLN 5 3HG GLN 5 4.708 12.907 7.342 40 1HE2 GLN 5 1HE2 GLN 5 3.292 9.695 7.099 41 2HE2 GLN 5 2HE2 GLN 5 2.185 10.135 5.815 42 H LYS 6 H LYS 6 4.341 7.835 8.475 43 HA LYS 6 HA LYS 6 7.110 7.144 9.078 44 1HB LYS 6 2HB LYS 6 4.686 5.538 9.973 45 2HB LYS 6 3HB LYS 6 6.213 4.742 9.651 46 1HG LYS 6 2HG LYS 6 5.899 6.964 11.706 47 2HG LYS 6 3HG LYS 6 5.843 5.226 12.031 48 1HD LYS 6 2HD LYS 6 8.192 5.147 10.820 49 2HD LYS 6 3HD LYS 6 8.176 6.902 10.985 50 1HE LYS 6 2HE LYS 6 9.450 5.977 12.793 51 2HE LYS 6 3HE LYS 6 7.973 6.705 13.445 52 1HZ LYS 6 1HZ LYS 6 8.484 4.541 14.401 53 2HZ LYS 6 2HZ LYS 6 7.040 4.507 13.623 54 3HZ LYS 6 3HZ LYS 6 8.365 3.822 12.925 55 H GLU 7 H GLU 7 7.763 5.321 7.871 56 HA GLU 7 HA GLU 7 6.409 5.012 5.250 57 1HB GLU 7 2HB GLU 7 9.415 4.890 5.641 58 2HB GLU 7 3HB GLU 7 8.455 5.101 4.178 59 1HG GLU 7 2HG GLU 7 9.548 7.175 4.688 60 2HG GLU 7 3HG GLU 7 7.832 7.406 5.058 61 H ILE 8 H ILE 8 5.461 2.960 5.680 62 HA ILE 8 HA ILE 8 7.061 0.913 7.042 63 HB ILE 8 HB ILE 8 4.365 0.862 5.818 64 1HG1 ILE 8 2HG1 ILE 8 4.128 2.570 7.416 65 2HG1 ILE 8 3HG1 ILE 8 3.388 1.098 8.061 66 1HG2 ILE 8 1HG2 ILE 8 5.083 -1.316 6.086 67 2HG2 ILE 8 2HG2 ILE 8 5.804 -0.961 7.682 68 3HG2 ILE 8 3HG2 ILE 8 4.027 -1.015 7.475 69 1HD1 ILE 8 1HD1 ILE 8 4.726 2.163 9.779 70 2HD1 ILE 8 2HD1 ILE 8 5.465 0.612 9.284 71 3HD1 ILE 8 3HD1 ILE 8 6.139 2.151 8.694 72 H ALA 9 H ALA 9 7.228 -1.212 5.873 73 HA ALA 9 HA ALA 9 7.530 -1.013 2.938 74 1HB ALA 9 1HB ALA 9 9.763 -0.493 3.952 75 2HB ALA 9 2HB ALA 9 9.707 -2.039 4.815 76 3HB ALA 9 3HB ALA 9 9.751 -2.016 3.038 77 H MET 10 H MET 10 6.453 -2.818 2.118 78 HA MET 10 HA MET 10 6.468 -5.349 3.732 79 1HB MET 10 2HB MET 10 4.058 -4.063 2.405 80 2HB MET 10 3HB MET 10 4.089 -5.699 3.039 81 1HG MET 10 2HG MET 10 3.790 -5.045 5.144 82 2HG MET 10 3HG MET 10 4.866 -3.664 5.054 83 1HE MET 10 1HE MET 10 1.354 -4.588 5.760 84 2HE MET 10 2HE MET 10 2.345 -3.542 6.812 85 3HE MET 10 3HE MET 10 0.862 -2.910 6.051 86 H GLN 11 H GLN 11 5.758 -7.210 2.364 87 HA GLN 11 HA GLN 11 6.914 -7.104 -0.368 88 1HB GLN 11 2HB GLN 11 6.636 -9.111 1.735 89 2HB GLN 11 3HB GLN 11 5.815 -9.663 0.279 90 1HG GLN 11 2HG GLN 11 8.620 -8.597 -0.034 91 2HG GLN 11 3HG GLN 11 8.377 -10.152 0.768 92 1HE2 GLN 11 1HE2 GLN 11 7.874 -8.431 -2.323 93 2HE2 GLN 11 2HE2 GLN 11 7.456 -9.876 -3.220 94 H VAL 12 H VAL 12 5.558 -8.340 -2.034 95 HA VAL 12 HA VAL 12 2.689 -7.499 -1.857 96 HB VAL 12 HB VAL 12 4.571 -7.341 -4.250 97 1HG1 VAL 12 1HG1 VAL 12 1.723 -6.349 -3.790 98 2HG1 VAL 12 2HG1 VAL 12 2.714 -5.982 -5.215 99 3HG1 VAL 12 3HG1 VAL 12 2.217 -7.648 -4.903 100 1HG2 VAL 12 1HG2 VAL 12 3.546 -5.163 -2.387 101 2HG2 VAL 12 2HG2 VAL 12 5.249 -5.634 -2.616 102 3HG2 VAL 12 3HG2 VAL 12 4.366 -4.856 -3.927 103 H SER 13 H SER 13 1.153 -8.985 -2.775 104 HA SER 13 HA SER 13 2.093 -11.131 -4.509 105 1HB SER 13 2HB SER 13 1.054 -11.602 -1.690 106 2HB SER 13 3HB SER 13 0.859 -12.828 -2.950 107 HG SER 13 HG SER 13 3.397 -11.686 -2.566 108 H GLY 14 H GLY 14 0.166 -12.497 -5.166 109 1HA GLY 14 2HA GLY 14 -1.915 -12.688 -6.102 110 2HA GLY 14 3HA GLY 14 -2.513 -11.591 -4.845 111 H MET 15 H MET 15 -0.663 -11.591 -7.970 112 HA MET 15 HA MET 15 -1.978 -9.093 -8.777 113 1HB MET 15 2HB MET 15 0.065 -7.877 -8.945 114 2HB MET 15 3HB MET 15 -0.043 -8.493 -7.283 115 1HG MET 15 2HG MET 15 2.124 -9.085 -7.667 116 2HG MET 15 3HG MET 15 1.413 -10.485 -8.463 117 1HE MET 15 1HE MET 15 3.813 -10.748 -9.674 118 2HE MET 15 2HE MET 15 2.399 -11.195 -10.669 119 3HE MET 15 3HE MET 15 3.726 -10.258 -11.386 120 H THR 16 H THR 16 -1.614 -8.551 -10.987 121 HA THR 16 HA THR 16 -0.710 -10.713 -12.785 122 HB THR 16 HB THR 16 -1.483 -8.707 -14.398 123 HG1 THR 16 1HG THR 16 -3.358 -8.176 -12.465 124 1HG2 THR 16 1HG2 THR 16 -3.430 -10.469 -12.840 125 2HG2 THR 16 2HG2 THR 16 -3.785 -9.609 -14.362 126 3HG2 THR 16 3HG2 THR 16 -2.569 -10.896 -14.335 127 H CYS 17 H CYS 17 -0.234 -7.146 -12.385 128 HA CYS 17 HA CYS 17 2.585 -7.472 -13.270 129 1HB CYS 17 2HB CYS 17 2.221 -5.854 -15.031 130 2HB CYS 17 3HB CYS 17 1.052 -7.166 -15.227 131 H ALA 18 H ALA 18 3.864 -5.599 -13.131 132 HA ALA 18 HA ALA 18 3.590 -4.101 -10.671 133 1HB ALA 18 1HB ALA 18 5.754 -4.964 -11.545 134 2HB ALA 18 2HB ALA 18 5.610 -3.883 -12.943 135 3HB ALA 18 3HB ALA 18 5.782 -3.205 -11.313 136 H ALA 19 H ALA 19 1.374 -3.507 -12.205 137 HA ALA 19 HA ALA 19 1.737 -0.596 -12.706 138 1HB ALA 19 1HB ALA 19 0.429 -0.628 -14.726 139 2HB ALA 19 2HB ALA 19 1.800 -1.736 -14.936 140 3HB ALA 19 3HB ALA 19 0.173 -2.374 -14.619 141 H CYS 20 H CYS 20 -0.681 -3.304 -12.500 142 HA CYS 20 HA CYS 20 -2.675 -1.780 -11.186 143 1HB CYS 20 2HB CYS 20 -1.823 -4.710 -10.802 144 2HB CYS 20 3HB CYS 20 -3.339 -4.019 -10.205 145 H ALA 21 H ALA 21 0.229 -3.349 -9.986 146 HA ALA 21 HA ALA 21 0.182 -2.918 -7.272 147 1HB ALA 21 1HB ALA 21 1.966 -4.011 -8.638 148 2HB ALA 21 2HB ALA 21 2.499 -2.403 -9.184 149 3HB ALA 21 3HB ALA 21 2.615 -2.859 -7.475 150 H ALA 22 H ALA 22 0.476 -0.408 -9.811 151 HA ALA 22 HA ALA 22 1.237 1.717 -7.956 152 1HB ALA 22 1HB ALA 22 1.837 1.728 -10.397 153 2HB ALA 22 2HB ALA 22 0.109 1.900 -10.779 154 3HB ALA 22 3HB ALA 22 0.939 3.167 -9.862 155 H ARG 23 H ARG 23 -1.659 0.673 -9.770 156 HA ARG 23 HA ARG 23 -3.424 2.721 -9.025 157 1HB ARG 23 2HB ARG 23 -4.085 -0.225 -9.458 158 2HB ARG 23 3HB ARG 23 -5.247 1.110 -9.397 159 1HG ARG 23 2HG ARG 23 -4.111 2.167 -11.348 160 2HG ARG 23 3HG ARG 23 -3.054 0.753 -11.487 161 1HD ARG 23 2HD ARG 23 -6.115 0.760 -11.723 162 2HD ARG 23 3HD ARG 23 -4.969 0.668 -13.042 163 HE ARG 23 HE ARG 23 -4.387 -1.520 -12.559 164 1HH1 ARG 23 2HH2 ARG 23 -6.699 -0.400 -10.125 165 2HH1 ARG 23 1HH2 ARG 23 -7.148 -2.001 -9.616 166 1HH2 ARG 23 2HH1 ARG 23 -4.888 -3.610 -11.837 167 2HH2 ARG 23 1HH1 ARG 23 -6.170 -3.869 -10.686 168 H ILE 24 H ILE 24 -2.841 -0.433 -7.382 169 HA ILE 24 HA ILE 24 -4.730 0.014 -5.357 170 HB ILE 24 HB ILE 24 -3.767 -1.694 -4.048 171 1HG1 ILE 24 2HG1 ILE 24 -1.354 -1.213 -5.732 172 2HG1 ILE 24 3HG1 ILE 24 -1.507 -1.122 -3.958 173 1HG2 ILE 24 1HG2 ILE 24 -3.250 -2.603 -6.889 174 2HG2 ILE 24 2HG2 ILE 24 -4.038 -3.442 -5.540 175 3HG2 ILE 24 3HG2 ILE 24 -4.878 -2.136 -6.378 176 1HD1 ILE 24 1HD1 ILE 24 -0.212 -3.071 -4.557 177 2HD1 ILE 24 2HD1 ILE 24 -1.781 -3.584 -3.888 178 3HD1 ILE 24 3HD1 ILE 24 -1.487 -3.610 -5.653 179 H GLU 25 H GLU 25 -1.233 0.732 -5.262 180 HA GLU 25 HA GLU 25 -1.184 1.986 -2.795 181 1HB GLU 25 2HB GLU 25 0.616 1.577 -5.000 182 2HB GLU 25 3HB GLU 25 0.684 3.293 -4.581 183 1HG GLU 25 2HG GLU 25 2.334 1.892 -3.312 184 2HG GLU 25 3HG GLU 25 1.187 2.729 -2.263 185 H LYS 26 H LYS 26 -2.174 3.371 -5.918 186 HA LYS 26 HA LYS 26 -2.133 6.087 -4.787 187 1HB LYS 26 2HB LYS 26 -3.378 5.264 -7.412 188 2HB LYS 26 3HB LYS 26 -2.967 6.883 -6.825 189 1HG LYS 26 2HG LYS 26 -1.141 4.737 -7.829 190 2HG LYS 26 3HG LYS 26 -1.237 6.423 -8.297 191 1HD LYS 26 2HD LYS 26 -0.248 7.090 -6.103 192 2HD LYS 26 3HD LYS 26 -0.151 5.386 -5.636 193 1HE LYS 26 2HE LYS 26 1.211 5.098 -7.874 194 2HE LYS 26 3HE LYS 26 1.499 6.835 -7.685 195 1HZ LYS 26 1HZ LYS 26 2.173 4.665 -5.804 196 2HZ LYS 26 2HZ LYS 26 3.222 5.618 -6.626 197 3HZ LYS 26 3HZ LYS 26 2.348 6.218 -5.371 198 H GLY 27 H GLY 27 -4.726 3.707 -5.502 199 1HA GLY 27 2HA GLY 27 -6.870 5.357 -4.496 200 2HA GLY 27 3HA GLY 27 -6.853 3.588 -4.530 201 H LEU 28 H LEU 28 -4.560 3.111 -3.008 202 HA LEU 28 HA LEU 28 -5.456 3.166 -0.284 203 1HB LEU 28 2HB LEU 28 -4.137 1.505 -1.278 204 2HB LEU 28 3HB LEU 28 -2.797 2.622 -1.536 205 HG LEU 28 HG LEU 28 -3.885 1.990 1.230 206 1HD1 LEU 28 1HD1 LEU 28 -1.870 0.541 -0.522 207 2HD1 LEU 28 2HD1 LEU 28 -1.988 0.299 1.226 208 3HD1 LEU 28 3HD1 LEU 28 -3.382 -0.065 0.187 209 1HD2 LEU 28 1HD2 LEU 28 -2.234 3.434 1.865 210 2HD2 LEU 28 2HD2 LEU 28 -1.028 2.476 0.959 211 3HD2 LEU 28 3HD2 LEU 28 -1.879 3.799 0.174 212 H LYS 29 H LYS 29 -3.164 5.272 -2.117 213 HA LYS 29 HA LYS 29 -2.509 6.916 0.054 214 1HB LYS 29 2HB LYS 29 -1.491 6.870 -2.322 215 2HB LYS 29 3HB LYS 29 -2.786 7.990 -2.758 216 1HG LYS 29 2HG LYS 29 -1.570 8.942 -0.286 217 2HG LYS 29 3HG LYS 29 -0.296 8.388 -1.339 218 1HD LYS 29 2HD LYS 29 -0.311 10.365 -2.319 219 2HD LYS 29 3HD LYS 29 -1.834 9.964 -3.091 220 1HE LYS 29 2HE LYS 29 -1.474 11.304 -0.361 221 2HE LYS 29 3HE LYS 29 -1.779 12.169 -1.868 222 1HZ LYS 29 1HZ LYS 29 -3.758 11.923 -0.597 223 2HZ LYS 29 2HZ LYS 29 -3.921 10.933 -1.909 224 3HZ LYS 29 3HZ LYS 29 -3.564 10.315 -0.423 225 H ARG 30 H ARG 30 -5.474 6.833 -1.876 226 HA ARG 30 HA ARG 30 -6.285 9.520 -1.092 227 1HB ARG 30 2HB ARG 30 -7.350 7.376 -2.832 228 2HB ARG 30 3HB ARG 30 -8.594 8.172 -1.886 229 1HG ARG 30 2HG ARG 30 -7.598 10.405 -2.662 230 2HG ARG 30 3HG ARG 30 -6.592 9.454 -3.784 231 1HD ARG 30 2HD ARG 30 -8.673 8.522 -4.794 232 2HD ARG 30 3HD ARG 30 -9.634 9.443 -3.605 233 HE ARG 30 HE ARG 30 -7.847 11.144 -5.114 234 1HH1 ARG 30 2HH2 ARG 30 -10.940 9.475 -5.321 235 2HH1 ARG 30 1HH2 ARG 30 -11.677 10.611 -6.407 236 1HH2 ARG 30 2HH1 ARG 30 -8.778 12.682 -6.572 237 2HH2 ARG 30 1HH1 ARG 30 -10.395 12.471 -7.152 238 H MET 31 H MET 31 -6.060 6.694 0.782 239 HA MET 31 HA MET 31 -8.552 7.084 2.213 240 1HB MET 31 2HB MET 31 -6.032 5.571 3.027 241 2HB MET 31 3HB MET 31 -7.627 5.384 3.750 242 1HG MET 31 2HG MET 31 -6.728 4.590 0.981 243 2HG MET 31 3HG MET 31 -7.316 3.585 2.274 244 1HE MET 31 1HE MET 31 -10.080 5.386 3.003 245 2HE MET 31 2HE MET 31 -11.210 4.463 2.009 246 3HE MET 31 3HE MET 31 -9.960 3.615 2.956 247 HA PRO 32 HA PRO 32 -7.262 10.291 5.023 248 1HB PRO 32 2HB PRO 32 -8.411 9.525 7.404 249 2HB PRO 32 3HB PRO 32 -9.337 10.216 6.041 250 1HG PRO 32 2HG PRO 32 -8.969 7.290 6.712 251 2HG PRO 32 3HG PRO 32 -10.499 8.142 6.349 252 1HD PRO 32 2HD PRO 32 -9.185 6.736 4.482 253 2HD PRO 32 3HD PRO 32 -9.949 8.284 4.024 254 H GLY 33 H GLY 33 -5.672 10.541 6.734 255 1HA GLY 33 2HA GLY 33 -3.859 10.035 7.903 256 2HA GLY 33 3HA GLY 33 -4.297 8.321 7.844 257 H VAL 34 H VAL 34 -4.194 8.668 4.664 258 HA VAL 34 HA VAL 34 -1.283 8.077 4.589 259 HB VAL 34 HB VAL 34 -3.400 7.526 2.525 260 1HG1 VAL 34 1HG1 VAL 34 -0.540 6.486 3.042 261 2HG1 VAL 34 2HG1 VAL 34 -1.604 5.845 1.791 262 3HG1 VAL 34 3HG1 VAL 34 -1.019 7.520 1.696 263 1HG2 VAL 34 1HG2 VAL 34 -2.352 5.746 4.767 264 2HG2 VAL 34 2HG2 VAL 34 -4.027 6.278 4.512 265 3HG2 VAL 34 3HG2 VAL 34 -3.279 5.161 3.370 266 H THR 35 H THR 35 0.155 9.411 3.616 267 HA THR 35 HA THR 35 -0.945 11.802 2.181 268 HB THR 35 HB THR 35 0.904 11.528 4.430 269 HG1 THR 35 1HG THR 35 -1.107 12.561 4.505 270 1HG2 THR 35 1HG2 THR 35 2.100 13.632 3.850 271 2HG2 THR 35 2HG2 THR 35 2.594 12.247 2.866 272 3HG2 THR 35 3HG2 THR 35 1.511 13.497 2.186 273 H ASP 36 H ASP 36 1.562 9.219 2.034 274 HA ASP 36 HA ASP 36 1.445 9.711 -0.814 275 1HB ASP 36 2HB ASP 36 3.867 10.505 0.684 276 2HB ASP 36 3HB ASP 36 4.203 9.282 -0.545 277 H ALA 37 H ALA 37 2.384 7.927 -2.006 278 HA ALA 37 HA ALA 37 3.031 5.531 -0.521 279 1HB ALA 37 1HB ALA 37 0.398 5.790 -0.473 280 2HB ALA 37 2HB ALA 37 0.505 5.208 -2.145 281 3HB ALA 37 3HB ALA 37 1.129 4.228 -0.789 282 H ASN 38 H ASN 38 4.068 3.900 -1.762 283 HA ASN 38 HA ASN 38 4.626 4.535 -4.597 284 1HB ASN 38 2HB ASN 38 7.183 4.452 -3.407 285 2HB ASN 38 3HB ASN 38 6.385 5.818 -4.163 286 1HD2 ASN 38 1HD2 ASN 38 5.953 4.200 -0.935 287 2HD2 ASN 38 2HD2 ASN 38 6.233 5.698 -0.050 288 H VAL 39 H VAL 39 4.630 2.557 -5.478 289 HA VAL 39 HA VAL 39 5.198 0.235 -3.802 290 HB VAL 39 HB VAL 39 3.133 0.264 -4.897 291 1HG1 VAL 39 1HG1 VAL 39 4.608 0.797 -7.514 292 2HG1 VAL 39 2HG1 VAL 39 3.017 0.089 -7.438 293 3HG1 VAL 39 3HG1 VAL 39 3.285 1.701 -6.762 294 1HG2 VAL 39 1HG2 VAL 39 3.136 -1.873 -5.645 295 2HG2 VAL 39 2HG2 VAL 39 4.679 -1.698 -6.529 296 3HG2 VAL 39 3HG2 VAL 39 4.655 -1.836 -4.751 297 H ASN 40 H ASN 40 7.368 -0.213 -3.644 298 HA ASN 40 HA ASN 40 9.161 0.388 -5.895 299 1HB ASN 40 2HB ASN 40 9.725 0.927 -3.531 300 2HB ASN 40 3HB ASN 40 9.773 -0.806 -3.175 301 1HD2 ASN 40 1HD2 ASN 40 12.055 0.255 -2.554 302 2HD2 ASN 40 2HD2 ASN 40 13.271 0.093 -3.812 303 H LEU 41 H LEU 41 7.555 -1.244 -6.963 304 HA LEU 41 HA LEU 41 7.948 -4.039 -6.514 305 1HB LEU 41 2HB LEU 41 6.243 -2.403 -8.091 306 2HB LEU 41 3HB LEU 41 7.107 -3.384 -9.254 307 HG LEU 41 HG LEU 41 4.896 -4.256 -8.449 308 1HD1 LEU 41 1HD1 LEU 41 7.268 -6.112 -7.938 309 2HD1 LEU 41 2HD1 LEU 41 5.601 -6.604 -8.292 310 3HD1 LEU 41 3HD1 LEU 41 6.559 -5.759 -9.520 311 1HD2 LEU 41 1HD2 LEU 41 5.530 -3.680 -5.934 312 2HD2 LEU 41 2HD2 LEU 41 4.463 -5.030 -6.358 313 3HD2 LEU 41 3HD2 LEU 41 6.156 -5.330 -5.941 314 H ALA 42 H ALA 42 9.849 -1.697 -8.180 315 HA ALA 42 HA ALA 42 11.398 -3.181 -9.964 316 1HB ALA 42 1HB ALA 42 11.672 -0.736 -9.482 317 2HB ALA 42 2HB ALA 42 12.393 -1.179 -7.906 318 3HB ALA 42 3HB ALA 42 13.206 -1.643 -9.406 319 H THR 43 H THR 43 11.330 -3.362 -6.403 320 HA THR 43 HA THR 43 13.112 -5.709 -6.635 321 HB THR 43 HB THR 43 14.592 -4.044 -5.817 322 HG1 THR 43 1HG THR 43 13.598 -5.720 -3.797 323 1HG2 THR 43 1HG2 THR 43 14.088 -2.786 -3.671 324 2HG2 THR 43 2HG2 THR 43 13.193 -2.268 -5.110 325 3HG2 THR 43 3HG2 THR 43 12.388 -3.266 -3.882 326 H GLU 44 H GLU 44 10.284 -5.561 -6.730 327 HA GLU 44 HA GLU 44 8.369 -6.335 -5.784 328 1HB GLU 44 2HB GLU 44 10.489 -8.288 -4.836 329 2HB GLU 44 3HB GLU 44 8.757 -8.575 -4.676 330 1HG GLU 44 2HG GLU 44 9.442 -9.713 -6.627 331 2HG GLU 44 3HG GLU 44 8.451 -8.341 -7.125 332 H THR 45 H THR 45 9.299 -4.131 -4.159 333 HA THR 45 HA THR 45 8.095 -4.973 -1.575 334 HB THR 45 HB THR 45 9.800 -2.519 -1.688 335 HG1 THR 45 1HG THR 45 11.710 -3.759 -1.579 336 1HG2 THR 45 1HG2 THR 45 8.852 -3.387 0.404 337 2HG2 THR 45 2HG2 THR 45 9.629 -4.966 0.096 338 3HG2 THR 45 3HG2 THR 45 10.623 -3.525 0.443 339 H VAL 46 H VAL 46 6.848 -3.243 -0.491 340 HA VAL 46 HA VAL 46 5.989 -1.032 -2.277 341 HB VAL 46 HB VAL 46 4.253 -2.661 -2.496 342 1HG1 VAL 46 1HG1 VAL 46 4.634 -4.090 -0.520 343 2HG1 VAL 46 2HG1 VAL 46 4.125 -2.762 0.550 344 3HG1 VAL 46 3HG1 VAL 46 2.968 -3.522 -0.553 345 1HG2 VAL 46 1HG2 VAL 46 3.344 -0.545 -0.504 346 2HG2 VAL 46 2HG2 VAL 46 3.503 -0.349 -2.268 347 3HG2 VAL 46 3HG2 VAL 46 2.337 -1.510 -1.591 348 H ASN 47 H ASN 47 5.645 0.985 -1.224 349 HA ASN 47 HA ASN 47 6.236 1.003 1.674 350 1HB ASN 47 2HB ASN 47 7.502 2.634 -0.580 351 2HB ASN 47 3HB ASN 47 7.481 3.194 1.094 352 1HD2 ASN 47 1HD2 ASN 47 8.324 1.528 2.766 353 2HD2 ASN 47 2HD2 ASN 47 9.883 0.868 2.299 354 H VAL 48 H VAL 48 5.030 2.614 2.807 355 HA VAL 48 HA VAL 48 3.178 4.250 1.218 356 HB VAL 48 HB VAL 48 1.919 2.245 1.509 357 1HG1 VAL 48 1HG1 VAL 48 2.620 2.351 4.464 358 2HG1 VAL 48 2HG1 VAL 48 1.358 1.330 3.751 359 3HG1 VAL 48 3HG1 VAL 48 3.048 1.098 3.291 360 1HG2 VAL 48 1HG2 VAL 48 0.038 3.134 2.884 361 2HG2 VAL 48 2HG2 VAL 48 1.064 4.479 3.394 362 3HG2 VAL 48 3HG2 VAL 48 0.675 4.276 1.686 363 H ILE 49 H ILE 49 3.035 6.204 2.067 364 HA ILE 49 HA ILE 49 4.622 6.731 4.472 365 HB ILE 49 HB ILE 49 3.878 8.699 2.282 366 1HG1 ILE 49 2HG1 ILE 49 4.996 6.934 1.107 367 2HG1 ILE 49 3HG1 ILE 49 6.022 8.350 1.203 368 1HG2 ILE 49 1HG2 ILE 49 5.816 9.950 3.075 369 2HG2 ILE 49 2HG2 ILE 49 4.661 9.673 4.390 370 3HG2 ILE 49 3HG2 ILE 49 6.145 8.708 4.302 371 1HD1 ILE 49 1HD1 ILE 49 6.886 5.812 1.771 372 2HD1 ILE 49 2HD1 ILE 49 7.636 7.285 2.410 373 3HD1 ILE 49 3HD1 ILE 49 6.478 6.369 3.385 374 H TYR 50 H TYR 50 3.150 6.761 6.160 375 HA TYR 50 HA TYR 50 0.674 8.394 5.852 376 1HB TYR 50 2HB TYR 50 -0.749 6.687 6.644 377 2HB TYR 50 3HB TYR 50 0.086 6.095 5.245 378 HD1 TYR 50 HD1 TYR 50 1.593 4.120 5.460 379 HD2 TYR 50 HD2 TYR 50 -0.302 5.838 8.904 380 HE1 TYR 50 HE1 TYR 50 1.636 1.912 6.603 381 HE2 TYR 50 HE2 TYR 50 0.123 3.769 10.170 382 HH TYR 50 HH TYR 50 1.029 1.590 10.050 383 H ASP 51 H ASP 51 -0.458 8.671 7.790 384 HA ASP 51 HA ASP 51 1.325 9.341 10.021 385 1HB ASP 51 2HB ASP 51 -0.219 11.043 9.349 386 2HB ASP 51 3HB ASP 51 -1.589 9.938 9.479 387 HA PRO 52 HA PRO 52 0.038 5.345 11.735 388 1HB PRO 52 2HB PRO 52 1.841 5.071 13.727 389 2HB PRO 52 3HB PRO 52 2.294 4.942 12.003 390 1HG PRO 52 2HG PRO 52 2.484 7.407 13.769 391 2HG PRO 52 3HG PRO 52 3.787 6.677 12.786 392 1HD PRO 52 2HD PRO 52 2.289 8.741 11.876 393 2HD PRO 52 3HD PRO 52 2.783 7.422 10.767 394 H ALA 53 H ALA 53 -0.602 8.461 12.976 395 HA ALA 53 HA ALA 53 -1.849 7.432 15.455 396 1HB ALA 53 1HB ALA 53 -0.649 9.632 15.450 397 2HB ALA 53 2HB ALA 53 -1.808 10.221 14.238 398 3HB ALA 53 3HB ALA 53 -2.377 9.755 15.849 399 H GLU 54 H GLU 54 -2.458 8.229 12.055 400 HA GLU 54 HA GLU 54 -5.349 8.438 12.597 401 1HB GLU 54 2HB GLU 54 -4.129 10.343 11.495 402 2HB GLU 54 3HB GLU 54 -3.920 9.324 10.074 403 1HG GLU 54 2HG GLU 54 -6.399 9.128 9.866 404 2HG GLU 54 3HG GLU 54 -6.601 10.016 11.385 405 H THR 55 H THR 55 -3.022 6.983 10.376 406 HA THR 55 HA THR 55 -4.738 4.588 10.183 407 HB THR 55 HB THR 55 -3.191 3.971 8.118 408 HG1 THR 55 1HG THR 55 -3.093 6.769 8.296 409 1HG2 THR 55 1HG2 THR 55 -4.890 5.003 6.680 410 2HG2 THR 55 2HG2 THR 55 -5.561 4.123 8.076 411 3HG2 THR 55 3HG2 THR 55 -5.528 5.910 8.081 412 H GLY 56 H GLY 56 -2.951 2.735 9.630 413 1HA GLY 56 2HA GLY 56 -0.890 2.059 11.296 414 2HA GLY 56 3HA GLY 56 -2.257 2.331 12.396 415 H THR 57 H THR 57 -1.211 0.684 9.742 416 HA THR 57 HA THR 57 -1.785 -0.241 7.997 417 HB THR 57 HB THR 57 -1.786 -2.767 8.269 418 HG1 THR 57 1HG THR 57 -1.714 -2.057 11.006 419 1HG2 THR 57 1HG2 THR 57 0.363 -1.530 8.139 420 2HG2 THR 57 2HG2 THR 57 0.344 -1.317 9.903 421 3HG2 THR 57 3HG2 THR 57 0.453 -2.944 9.208 422 H ALA 58 H ALA 58 -4.241 -0.824 10.405 423 HA ALA 58 HA ALA 58 -6.299 -2.042 9.488 424 1HB ALA 58 1HB ALA 58 -6.157 0.874 10.352 425 2HB ALA 58 2HB ALA 58 -7.677 -0.068 10.357 426 3HB ALA 58 3HB ALA 58 -6.318 -0.531 11.414 427 H ALA 59 H ALA 59 -5.504 1.131 7.981 428 HA ALA 59 HA ALA 59 -8.079 0.867 6.471 429 1HB ALA 59 1HB ALA 59 -7.380 3.112 7.170 430 2HB ALA 59 2HB ALA 59 -5.922 2.962 6.128 431 3HB ALA 59 3HB ALA 59 -7.543 2.961 5.407 432 H ILE 60 H ILE 60 -4.651 0.852 5.950 433 HA ILE 60 HA ILE 60 -4.495 0.434 3.177 434 HB ILE 60 HB ILE 60 -2.754 0.114 5.620 435 1HG1 ILE 60 2HG1 ILE 60 -1.878 1.428 3.146 436 2HG1 ILE 60 3HG1 ILE 60 -3.355 2.119 3.774 437 1HG2 ILE 60 1HG2 ILE 60 -1.950 -1.039 2.937 438 2HG2 ILE 60 2HG2 ILE 60 -0.816 -0.533 4.217 439 3HG2 ILE 60 3HG2 ILE 60 -1.975 -1.829 4.517 440 1HD1 ILE 60 1HD1 ILE 60 -1.459 3.331 4.716 441 2HD1 ILE 60 2HD1 ILE 60 -2.348 2.478 5.987 442 3HD1 ILE 60 3HD1 ILE 60 -0.801 1.820 5.396 443 H GLN 61 H GLN 61 -4.621 -2.063 5.811 444 HA GLN 61 HA GLN 61 -4.365 -4.174 3.856 445 1HB GLN 61 2HB GLN 61 -4.787 -4.046 6.741 446 2HB GLN 61 3HB GLN 61 -5.825 -5.238 5.946 447 1HG GLN 61 2HG GLN 61 -4.026 -6.522 6.472 448 2HG GLN 61 3HG GLN 61 -3.752 -6.162 4.769 449 1HE2 GLN 61 1HE2 GLN 61 -2.942 -3.288 5.678 450 2HE2 GLN 61 2HE2 GLN 61 -1.341 -3.492 6.348 451 H GLU 62 H GLU 62 -7.181 -2.597 5.450 452 HA GLU 62 HA GLU 62 -9.310 -4.104 4.415 453 1HB GLU 62 2HB GLU 62 -8.862 -1.418 5.560 454 2HB GLU 62 3HB GLU 62 -10.061 -1.335 4.293 455 1HG GLU 62 2HG GLU 62 -10.236 -3.419 6.499 456 2HG GLU 62 3HG GLU 62 -10.873 -1.780 6.673 457 H LYS 63 H LYS 63 -7.798 -1.165 3.002 458 HA LYS 63 HA LYS 63 -9.294 -1.374 0.618 459 1HB LYS 63 2HB LYS 63 -6.980 0.255 1.660 460 2HB LYS 63 3HB LYS 63 -7.518 0.414 0.021 461 1HG LYS 63 2HG LYS 63 -9.487 0.540 2.377 462 2HG LYS 63 3HG LYS 63 -8.532 1.919 1.915 463 1HD LYS 63 2HD LYS 63 -10.638 2.240 0.975 464 2HD LYS 63 3HD LYS 63 -9.534 1.911 -0.366 465 1HE LYS 63 2HE LYS 63 -10.523 -0.235 -0.741 466 2HE LYS 63 3HE LYS 63 -11.280 -0.266 0.878 467 1HZ LYS 63 1HZ LYS 63 -12.049 1.507 -1.337 468 2HZ LYS 63 2HZ LYS 63 -12.861 0.168 -0.831 469 3HZ LYS 63 3HZ LYS 63 -12.741 1.469 0.161 470 H ILE 64 H ILE 64 -6.089 -2.514 1.486 471 HA ILE 64 HA ILE 64 -4.961 -3.037 -0.989 472 HB ILE 64 HB ILE 64 -4.701 -3.959 1.760 473 1HG1 ILE 64 2HG1 ILE 64 -3.337 -2.190 0.652 474 2HG1 ILE 64 3HG1 ILE 64 -2.440 -3.464 1.461 475 1HG2 ILE 64 1HG2 ILE 64 -3.151 -5.802 1.264 476 2HG2 ILE 64 2HG2 ILE 64 -4.873 -6.144 1.109 477 3HG2 ILE 64 3HG2 ILE 64 -3.891 -5.888 -0.357 478 1HD1 ILE 64 1HD1 ILE 64 -1.368 -2.998 -0.609 479 2HD1 ILE 64 2HD1 ILE 64 -2.127 -4.601 -0.735 480 3HD1 ILE 64 3HD1 ILE 64 -2.874 -3.205 -1.531 481 H GLU 65 H GLU 65 -7.027 -5.068 1.154 482 HA GLU 65 HA GLU 65 -7.590 -7.189 -0.652 483 1HB GLU 65 2HB GLU 65 -8.848 -6.082 1.875 484 2HB GLU 65 3HB GLU 65 -9.698 -7.326 0.966 485 1HG GLU 65 2HG GLU 65 -6.785 -7.667 1.696 486 2HG GLU 65 3HG GLU 65 -8.071 -8.063 2.825 487 H LYS 66 H LYS 66 -9.643 -4.343 0.191 488 HA LYS 66 HA LYS 66 -11.652 -5.005 -1.641 489 1HB LYS 66 2HB LYS 66 -10.949 -2.674 -0.015 490 2HB LYS 66 3HB LYS 66 -11.737 -2.190 -1.514 491 1HG LYS 66 2HG LYS 66 -12.820 -4.294 0.419 492 2HG LYS 66 3HG LYS 66 -13.261 -2.595 0.460 493 1HD LYS 66 2HD LYS 66 -14.854 -2.946 -1.088 494 2HD LYS 66 3HD LYS 66 -13.590 -3.325 -2.265 495 1HE LYS 66 2HE LYS 66 -13.681 -5.758 -1.315 496 2HE LYS 66 3HE LYS 66 -15.153 -5.248 -0.488 497 1HZ LYS 66 1HZ LYS 66 -15.592 -6.284 -2.601 498 2HZ LYS 66 2HZ LYS 66 -16.070 -4.712 -2.665 499 3HZ LYS 66 3HZ LYS 66 -14.670 -5.183 -3.399 500 H LEU 67 H LEU 67 -8.674 -3.301 -2.335 501 HA LEU 67 HA LEU 67 -9.338 -2.551 -5.059 502 1HB LEU 67 2HB LEU 67 -6.800 -2.674 -3.408 503 2HB LEU 67 3HB LEU 67 -6.762 -2.299 -5.123 504 HG LEU 67 HG LEU 67 -8.652 -0.716 -3.374 505 1HD1 LEU 67 1HD1 LEU 67 -6.724 -0.370 -2.076 506 2HD1 LEU 67 2HD1 LEU 67 -5.645 -0.441 -3.454 507 3HD1 LEU 67 3HD1 LEU 67 -6.684 0.980 -3.211 508 1HD2 LEU 67 1HD2 LEU 67 -7.002 -0.046 -5.859 509 2HD2 LEU 67 2HD2 LEU 67 -8.723 -0.468 -5.851 510 3HD2 LEU 67 3HD2 LEU 67 -8.176 1.020 -5.065 511 H GLY 68 H GLY 68 -8.402 -5.514 -3.509 512 1HA GLY 68 2HA GLY 68 -8.573 -7.585 -4.500 513 2HA GLY 68 3HA GLY 68 -8.357 -6.892 -6.110 514 H TYR 69 H TYR 69 -6.338 -6.578 -3.098 515 HA TYR 69 HA TYR 69 -4.090 -8.013 -4.438 516 1HB TYR 69 2HB TYR 69 -4.369 -5.152 -3.950 517 2HB TYR 69 3HB TYR 69 -3.064 -5.792 -2.977 518 HD1 TYR 69 HD1 TYR 69 -4.411 -5.727 -6.469 519 HD2 TYR 69 HD2 TYR 69 -0.990 -6.474 -3.958 520 HE1 TYR 69 HE1 TYR 69 -2.959 -5.584 -8.425 521 HE2 TYR 69 HE2 TYR 69 0.483 -6.191 -5.912 522 HH TYR 69 HH TYR 69 -0.698 -5.523 -9.192 523 H HIS 70 H HIS 70 -2.257 -8.329 -2.748 524 HA HIS 70 HA HIS 70 -3.092 -8.098 0.035 525 1HB HIS 70 2HB HIS 70 -3.805 -10.432 -1.124 526 2HB HIS 70 3HB HIS 70 -2.152 -10.846 -0.688 527 HD1 HIS 70 1HD HIS 70 -5.510 -11.156 0.710 528 HD2 HIS 70 2HD HIS 70 -1.890 -9.675 2.210 529 HE1 HIS 70 1HE HIS 70 -5.585 -11.468 3.197 530 H VAL 71 H VAL 71 -1.316 -7.417 1.204 531 HA VAL 71 HA VAL 71 1.348 -7.534 -0.005 532 HB VAL 71 HB VAL 71 1.938 -6.217 2.009 533 1HG1 VAL 71 1HG1 VAL 71 0.936 -4.136 1.245 534 2HG1 VAL 71 2HG1 VAL 71 1.320 -5.162 -0.154 535 3HG1 VAL 71 3HG1 VAL 71 -0.348 -5.042 0.429 536 1HG2 VAL 71 1HG2 VAL 71 -1.038 -6.063 2.623 537 2HG2 VAL 71 2HG2 VAL 71 0.162 -6.964 3.575 538 3HG2 VAL 71 3HG2 VAL 71 0.273 -5.203 3.433 539 H VAL 72 H VAL 72 3.181 -8.266 1.490 540 HA VAL 72 HA VAL 72 2.299 -10.503 3.272 541 HB VAL 72 HB VAL 72 4.800 -10.838 1.748 542 1HG1 VAL 72 1HG1 VAL 72 2.750 -12.783 2.846 543 2HG1 VAL 72 2HG1 VAL 72 4.307 -13.200 2.104 544 3HG1 VAL 72 3HG1 VAL 72 4.275 -12.316 3.635 545 1HG2 VAL 72 1HG2 VAL 72 3.575 -12.184 0.039 546 2HG2 VAL 72 2HG2 VAL 72 2.038 -11.564 0.677 547 3HG2 VAL 72 3HG2 VAL 72 3.204 -10.463 -0.094 548 H ILE 73 H ILE 73 3.300 -10.622 5.184 549 HA ILE 73 HA ILE 73 4.943 -8.268 5.890 550 HB ILE 73 HB ILE 73 3.482 -10.051 7.809 551 1HG1 ILE 73 2HG1 ILE 73 1.754 -9.325 6.295 552 2HG1 ILE 73 3HG1 ILE 73 1.708 -8.431 7.806 553 1HG2 ILE 73 1HG2 ILE 73 5.221 -8.552 8.713 554 2HG2 ILE 73 2HG2 ILE 73 4.526 -7.174 7.851 555 3HG2 ILE 73 3HG2 ILE 73 3.616 -7.956 9.166 556 1HD1 ILE 73 1HD1 ILE 73 2.822 -7.307 5.213 557 2HD1 ILE 73 2HD1 ILE 73 1.225 -6.990 5.905 558 3HD1 ILE 73 3HD1 ILE 73 2.670 -6.452 6.770 559 H GLU 74 H GLU 74 6.797 -9.577 4.823 560 HA GLU 74 HA GLU 74 7.696 -11.915 6.028 561 1HB GLU 74 2HB GLU 74 8.741 -9.986 3.988 562 2HB GLU 74 3HB GLU 74 9.809 -11.219 4.647 563 1HG GLU 74 2HG GLU 74 7.104 -12.004 3.517 564 2HG GLU 74 3HG GLU 74 8.552 -11.857 2.505 565 H GLY 75 H GLY 75 7.713 -9.124 7.506 566 1HA GLY 75 2HA GLY 75 8.813 -8.311 9.411 567 2HA GLY 75 3HA GLY 75 9.821 -9.769 9.409 568 H ARG 76 H ARG 76 9.438 -6.467 8.073 569 HA ARG 76 HA ARG 76 12.237 -6.357 7.269 570 1HB ARG 76 2HB ARG 76 10.231 -6.923 5.397 571 2HB ARG 76 3HB ARG 76 10.285 -5.164 5.343 572 1HG ARG 76 2HG ARG 76 12.705 -7.011 5.051 573 2HG ARG 76 3HG ARG 76 11.735 -6.419 3.692 574 1HD ARG 76 2HD ARG 76 12.239 -4.096 4.310 575 2HD ARG 76 3HD ARG 76 13.286 -4.651 5.632 576 HE ARG 76 HE ARG 76 14.355 -6.014 3.584 577 1HH1 ARG 76 2HH2 ARG 76 13.630 -2.592 3.960 578 2HH1 ARG 76 1HH2 ARG 76 14.749 -2.041 2.748 579 1HH2 ARG 76 2HH1 ARG 76 15.897 -5.343 2.015 580 2HH2 ARG 76 1HH1 ARG 76 16.117 -3.663 1.651 Start of MODEL 25 1 1H MET 1 H1 MET 1 2.587 17.606 12.615 2 2H MET 1 H2 MET 1 4.171 17.374 13.030 3 3H MET 1 H3 MET 1 3.064 16.147 13.155 4 HA MET 1 HA MET 1 3.698 17.177 15.290 5 1HB MET 1 2HB MET 1 2.209 19.499 13.993 6 2HB MET 1 3HB MET 1 2.256 19.273 15.748 7 1HG MET 1 2HG MET 1 4.711 19.296 15.724 8 2HG MET 1 3HG MET 1 4.698 19.630 13.982 9 1HE MET 1 1HE MET 1 5.870 22.971 15.771 10 2HE MET 1 2HE MET 1 6.158 21.321 16.366 11 3HE MET 1 3HE MET 1 6.341 21.687 14.630 12 H LEU 2 H LEU 2 0.418 18.304 14.413 13 HA LEU 2 HA LEU 2 -0.892 16.679 16.242 14 1HB LEU 2 2HB LEU 2 -2.936 17.218 15.035 15 2HB LEU 2 3HB LEU 2 -1.878 18.608 15.227 16 HG LEU 2 HG LEU 2 -1.083 17.750 12.727 17 1HD1 LEU 2 1HD1 LEU 2 -3.077 17.190 11.430 18 2HD1 LEU 2 2HD1 LEU 2 -2.870 15.971 12.695 19 3HD1 LEU 2 3HD1 LEU 2 -4.088 17.244 12.886 20 1HD2 LEU 2 1HD2 LEU 2 -1.663 20.047 13.346 21 2HD2 LEU 2 2HD2 LEU 2 -2.484 19.569 11.850 22 3HD2 LEU 2 3HD2 LEU 2 -3.389 19.620 13.378 23 H SER 3 H SER 3 0.077 15.916 12.947 24 HA SER 3 HA SER 3 -0.354 13.029 13.460 25 1HB SER 3 2HB SER 3 -0.408 14.656 10.861 26 2HB SER 3 3HB SER 3 -0.137 12.909 10.900 27 HG SER 3 HG SER 3 -2.070 12.584 11.819 28 H GLU 4 H GLU 4 1.506 11.823 13.112 29 HA GLU 4 HA GLU 4 4.050 13.160 12.388 30 1HB GLU 4 2HB GLU 4 3.314 10.725 13.914 31 2HB GLU 4 3HB GLU 4 4.725 10.608 12.896 32 1HG GLU 4 2HG GLU 4 5.393 12.835 14.055 33 2HG GLU 4 3HG GLU 4 4.237 12.302 15.273 34 H GLN 5 H GLN 5 5.289 11.372 10.902 35 HA GLN 5 HA GLN 5 3.451 9.964 9.076 36 1HB GLN 5 2HB GLN 5 5.882 11.649 8.412 37 2HB GLN 5 3HB GLN 5 5.172 10.556 7.245 38 1HG GLN 5 2HG GLN 5 3.578 12.826 8.576 39 2HG GLN 5 3HG GLN 5 4.578 13.055 7.169 40 1HE2 GLN 5 1HE2 GLN 5 3.330 9.908 6.821 41 2HE2 GLN 5 2HE2 GLN 5 1.966 10.349 5.821 42 H LYS 6 H LYS 6 4.365 7.924 8.537 43 HA LYS 6 HA LYS 6 7.194 7.563 8.797 44 1HB LYS 6 2HB LYS 6 5.373 5.676 10.337 45 2HB LYS 6 3HB LYS 6 7.047 5.329 9.881 46 1HG LYS 6 2HG LYS 6 7.668 7.569 10.984 47 2HG LYS 6 3HG LYS 6 6.084 7.492 11.778 48 1HD LYS 6 2HD LYS 6 6.757 5.309 12.790 49 2HD LYS 6 3HD LYS 6 8.299 5.397 11.898 50 1HE LYS 6 2HE LYS 6 8.735 7.648 13.035 51 2HE LYS 6 3HE LYS 6 7.313 7.356 14.045 52 1HZ LYS 6 1HZ LYS 6 8.428 5.374 14.868 53 2HZ LYS 6 2HZ LYS 6 9.741 5.687 13.917 54 3HZ LYS 6 3HZ LYS 6 9.333 6.726 15.125 55 H GLU 7 H GLU 7 8.022 5.839 7.735 56 HA GLU 7 HA GLU 7 6.617 5.357 5.201 57 1HB GLU 7 2HB GLU 7 9.605 5.124 5.655 58 2HB GLU 7 3HB GLU 7 8.669 5.509 4.215 59 1HG GLU 7 2HG GLU 7 9.658 7.529 4.772 60 2HG GLU 7 3HG GLU 7 8.097 7.737 5.580 61 H ILE 8 H ILE 8 5.591 3.353 5.637 62 HA ILE 8 HA ILE 8 7.081 1.275 7.041 63 HB ILE 8 HB ILE 8 4.434 1.127 5.726 64 1HG1 ILE 8 2HG1 ILE 8 4.050 3.067 6.961 65 2HG1 ILE 8 3HG1 ILE 8 3.346 1.693 7.826 66 1HG2 ILE 8 1HG2 ILE 8 5.723 -0.246 8.050 67 2HG2 ILE 8 2HG2 ILE 8 4.000 -0.454 7.617 68 3HG2 ILE 8 3HG2 ILE 8 5.266 -0.964 6.485 69 1HD1 ILE 8 1HD1 ILE 8 5.988 2.950 8.455 70 2HD1 ILE 8 2HD1 ILE 8 4.462 3.158 9.361 71 3HD1 ILE 8 3HD1 ILE 8 5.249 1.555 9.278 72 H ALA 9 H ALA 9 7.300 -0.910 5.941 73 HA ALA 9 HA ALA 9 7.736 -0.754 2.995 74 1HB ALA 9 1HB ALA 9 9.987 -1.744 3.381 75 2HB ALA 9 2HB ALA 9 9.851 -0.126 4.105 76 3HB ALA 9 3HB ALA 9 9.750 -1.551 5.136 77 H MET 10 H MET 10 6.610 -2.494 2.165 78 HA MET 10 HA MET 10 6.615 -5.083 3.674 79 1HB MET 10 2HB MET 10 4.190 -3.519 2.717 80 2HB MET 10 3HB MET 10 4.136 -5.226 3.162 81 1HG MET 10 2HG MET 10 4.795 -4.775 5.418 82 2HG MET 10 3HG MET 10 5.075 -3.067 5.088 83 1HE MET 10 1HE MET 10 1.561 -1.533 4.798 84 2HE MET 10 2HE MET 10 3.312 -1.234 4.844 85 3HE MET 10 3HE MET 10 2.582 -2.053 3.441 86 H GLN 11 H GLN 11 5.436 -6.775 2.252 87 HA GLN 11 HA GLN 11 6.452 -6.641 -0.562 88 1HB GLN 11 2HB GLN 11 6.540 -8.686 1.534 89 2HB GLN 11 3HB GLN 11 5.602 -9.279 0.173 90 1HG GLN 11 2HG GLN 11 8.267 -8.043 -0.472 91 2HG GLN 11 3HG GLN 11 8.227 -9.600 0.355 92 1HE2 GLN 11 1HE2 GLN 11 7.460 -7.997 -2.668 93 2HE2 GLN 11 2HE2 GLN 11 7.022 -9.449 -3.569 94 H VAL 12 H VAL 12 4.900 -7.905 -2.120 95 HA VAL 12 HA VAL 12 2.084 -7.806 -1.230 96 HB VAL 12 HB VAL 12 1.503 -6.999 -3.477 97 1HG1 VAL 12 1HG1 VAL 12 1.593 -5.418 -1.556 98 2HG1 VAL 12 2HG1 VAL 12 3.275 -5.034 -1.982 99 3HG1 VAL 12 3HG1 VAL 12 1.963 -4.631 -3.103 100 1HG2 VAL 12 1HG2 VAL 12 4.420 -6.250 -3.809 101 2HG2 VAL 12 2HG2 VAL 12 3.622 -7.605 -4.648 102 3HG2 VAL 12 3HG2 VAL 12 3.073 -5.943 -4.929 103 H SER 13 H SER 13 0.708 -9.019 -2.907 104 HA SER 13 HA SER 13 2.118 -11.096 -4.419 105 1HB SER 13 2HB SER 13 0.285 -11.700 -2.051 106 2HB SER 13 3HB SER 13 0.720 -12.899 -3.284 107 HG SER 13 HG SER 13 2.901 -11.579 -2.270 108 H GLY 14 H GLY 14 0.281 -12.477 -5.545 109 1HA GLY 14 2HA GLY 14 -1.770 -12.598 -6.615 110 2HA GLY 14 3HA GLY 14 -2.264 -11.049 -5.927 111 H MET 15 H MET 15 0.089 -9.573 -6.814 112 HA MET 15 HA MET 15 -0.696 -8.543 -9.205 113 1HB MET 15 2HB MET 15 1.439 -7.433 -9.318 114 2HB MET 15 3HB MET 15 0.991 -7.620 -7.619 115 1HG MET 15 2HG MET 15 3.168 -8.172 -7.489 116 2HG MET 15 3HG MET 15 2.491 -9.784 -7.723 117 1HE MET 15 1HE MET 15 5.567 -8.974 -8.004 118 2HE MET 15 2HE MET 15 4.941 -10.622 -8.240 119 3HE MET 15 3HE MET 15 6.005 -9.891 -9.462 120 H THR 16 H THR 16 -0.356 -8.802 -11.371 121 HA THR 16 HA THR 16 1.091 -11.227 -12.335 122 HB THR 16 HB THR 16 -0.220 -10.400 -14.495 123 HG1 THR 16 1HG THR 16 -2.062 -9.632 -12.511 124 1HG2 THR 16 1HG2 THR 16 -2.110 -11.870 -13.859 125 2HG2 THR 16 2HG2 THR 16 -0.544 -12.585 -13.440 126 3HG2 THR 16 3HG2 THR 16 -1.549 -11.861 -12.168 127 H CYS 17 H CYS 17 0.691 -7.664 -12.885 128 HA CYS 17 HA CYS 17 3.378 -7.658 -14.156 129 1HB CYS 17 2HB CYS 17 2.559 -6.245 -15.910 130 2HB CYS 17 3HB CYS 17 1.510 -7.668 -15.848 131 H ALA 18 H ALA 18 4.349 -5.544 -14.232 132 HA ALA 18 HA ALA 18 4.146 -4.156 -11.678 133 1HB ALA 18 1HB ALA 18 6.320 -4.650 -12.727 134 2HB ALA 18 2HB ALA 18 5.885 -3.641 -14.126 135 3HB ALA 18 3HB ALA 18 6.087 -2.902 -12.522 136 H ALA 19 H ALA 19 1.731 -3.818 -12.615 137 HA ALA 19 HA ALA 19 1.624 -0.905 -13.205 138 1HB ALA 19 1HB ALA 19 -0.039 -2.920 -14.774 139 2HB ALA 19 2HB ALA 19 -0.107 -1.155 -14.889 140 3HB ALA 19 3HB ALA 19 1.352 -2.018 -15.411 141 H CYS 20 H CYS 20 -0.519 -3.775 -12.691 142 HA CYS 20 HA CYS 20 -2.588 -2.389 -11.531 143 1HB CYS 20 2HB CYS 20 -1.677 -5.217 -10.760 144 2HB CYS 20 3HB CYS 20 -3.305 -4.546 -10.574 145 H ALA 21 H ALA 21 0.214 -3.739 -9.851 146 HA ALA 21 HA ALA 21 -0.456 -3.187 -7.204 147 1HB ALA 21 1HB ALA 21 2.305 -3.020 -8.463 148 2HB ALA 21 2HB ALA 21 1.928 -3.319 -6.749 149 3HB ALA 21 3HB ALA 21 1.496 -4.524 -7.971 150 H ALA 22 H ALA 22 0.310 -0.838 -9.707 151 HA ALA 22 HA ALA 22 1.016 1.334 -7.893 152 1HB ALA 22 1HB ALA 22 -0.072 1.419 -10.738 153 2HB ALA 22 2HB ALA 22 0.754 2.723 -9.867 154 3HB ALA 22 3HB ALA 22 1.653 1.260 -10.331 155 H ARG 23 H ARG 23 -1.938 0.063 -9.489 156 HA ARG 23 HA ARG 23 -3.515 2.414 -9.020 157 1HB ARG 23 2HB ARG 23 -4.452 -0.469 -9.412 158 2HB ARG 23 3HB ARG 23 -5.432 0.999 -9.506 159 1HG ARG 23 2HG ARG 23 -3.738 1.770 -11.342 160 2HG ARG 23 3HG ARG 23 -3.194 0.088 -11.359 161 1HD ARG 23 2HD ARG 23 -4.880 0.315 -13.105 162 2HD ARG 23 3HD ARG 23 -5.534 -0.657 -11.800 163 HE ARG 23 HE ARG 23 -7.142 0.904 -11.387 164 1HH1 ARG 23 2HH2 ARG 23 -4.621 2.423 -13.309 165 2HH1 ARG 23 1HH2 ARG 23 -5.444 3.938 -13.524 166 1HH2 ARG 23 2HH1 ARG 23 -8.268 2.920 -11.591 167 2HH2 ARG 23 1HH1 ARG 23 -7.575 4.220 -12.503 168 H ILE 24 H ILE 24 -3.196 -0.699 -7.296 169 HA ILE 24 HA ILE 24 -5.032 -0.095 -5.268 170 HB ILE 24 HB ILE 24 -4.157 -1.841 -3.964 171 1HG1 ILE 24 2HG1 ILE 24 -1.721 -1.550 -5.654 172 2HG1 ILE 24 3HG1 ILE 24 -1.858 -1.372 -3.883 173 1HG2 ILE 24 1HG2 ILE 24 -4.467 -3.605 -5.477 174 2HG2 ILE 24 2HG2 ILE 24 -5.281 -2.267 -6.288 175 3HG2 ILE 24 3HG2 ILE 24 -3.668 -2.761 -6.821 176 1HD1 ILE 24 1HD1 ILE 24 -2.006 -3.920 -5.476 177 2HD1 ILE 24 2HD1 ILE 24 -0.728 -3.440 -4.354 178 3HD1 ILE 24 3HD1 ILE 24 -2.352 -3.809 -3.726 179 H GLU 25 H GLU 25 -1.519 0.431 -5.307 180 HA GLU 25 HA GLU 25 -1.290 1.637 -2.834 181 1HB GLU 25 2HB GLU 25 0.504 0.996 -4.754 182 2HB GLU 25 3HB GLU 25 0.423 2.736 -5.015 183 1HG GLU 25 2HG GLU 25 0.634 2.754 -2.316 184 2HG GLU 25 3HG GLU 25 1.238 1.120 -2.555 185 H LYS 26 H LYS 26 -2.130 3.173 -5.939 186 HA LYS 26 HA LYS 26 -1.962 5.863 -4.781 187 1HB LYS 26 2HB LYS 26 -2.711 4.764 -7.475 188 2HB LYS 26 3HB LYS 26 -3.161 6.416 -7.033 189 1HG LYS 26 2HG LYS 26 -0.983 6.359 -8.200 190 2HG LYS 26 3HG LYS 26 -0.880 7.046 -6.576 191 1HD LYS 26 2HD LYS 26 0.019 4.864 -5.740 192 2HD LYS 26 3HD LYS 26 -0.007 4.261 -7.414 193 1HE LYS 26 2HE LYS 26 1.646 5.996 -8.029 194 2HE LYS 26 3HE LYS 26 1.593 6.638 -6.374 195 1HZ LYS 26 1HZ LYS 26 3.461 5.215 -6.589 196 2HZ LYS 26 2HZ LYS 26 2.411 4.433 -5.605 197 3HZ LYS 26 3HZ LYS 26 2.551 3.974 -7.161 198 H GLY 27 H GLY 27 -4.625 3.573 -5.484 199 1HA GLY 27 2HA GLY 27 -6.763 5.178 -4.455 200 2HA GLY 27 3HA GLY 27 -6.673 3.408 -4.444 201 H LEU 28 H LEU 28 -4.330 3.086 -2.906 202 HA LEU 28 HA LEU 28 -5.350 3.224 -0.233 203 1HB LEU 28 2HB LEU 28 -3.934 1.495 -1.179 204 2HB LEU 28 3HB LEU 28 -2.574 2.611 -1.273 205 HG LEU 28 HG LEU 28 -3.909 1.693 1.300 206 1HD1 LEU 28 1HD1 LEU 28 -1.875 0.262 1.482 207 2HD1 LEU 28 2HD1 LEU 28 -2.886 -0.171 0.098 208 3HD1 LEU 28 3HD1 LEU 28 -1.393 0.759 -0.148 209 1HD2 LEU 28 1HD2 LEU 28 -2.729 3.775 1.720 210 2HD2 LEU 28 2HD2 LEU 28 -1.593 2.507 2.161 211 3HD2 LEU 28 3HD2 LEU 28 -1.408 3.333 0.611 212 H LYS 29 H LYS 29 -2.853 5.168 -1.976 213 HA LYS 29 HA LYS 29 -2.161 6.889 0.105 214 1HB LYS 29 2HB LYS 29 -1.111 6.787 -2.204 215 2HB LYS 29 3HB LYS 29 -2.473 7.776 -2.772 216 1HG LYS 29 2HG LYS 29 -1.790 9.367 -0.739 217 2HG LYS 29 3HG LYS 29 -0.295 8.461 -0.779 218 1HD LYS 29 2HD LYS 29 -1.569 10.013 -3.102 219 2HD LYS 29 3HD LYS 29 -0.296 10.624 -2.039 220 1HE LYS 29 2HE LYS 29 1.108 8.598 -2.778 221 2HE LYS 29 3HE LYS 29 -0.081 8.323 -4.048 222 1HZ LYS 29 1HZ LYS 29 0.482 10.646 -4.793 223 2HZ LYS 29 2HZ LYS 29 1.624 10.667 -3.548 224 3HZ LYS 29 3HZ LYS 29 1.814 9.649 -4.750 225 H ARG 30 H ARG 30 -4.967 7.003 -2.060 226 HA ARG 30 HA ARG 30 -5.908 9.561 -1.214 227 1HB ARG 30 2HB ARG 30 -6.932 7.251 -2.806 228 2HB ARG 30 3HB ARG 30 -8.185 8.188 -2.045 229 1HG ARG 30 2HG ARG 30 -6.190 9.960 -3.295 230 2HG ARG 30 3HG ARG 30 -6.730 8.749 -4.438 231 1HD ARG 30 2HD ARG 30 -8.938 9.442 -4.424 232 2HD ARG 30 3HD ARG 30 -8.882 10.134 -2.814 233 HE ARG 30 HE ARG 30 -8.234 11.441 -5.323 234 1HH1 ARG 30 2HH2 ARG 30 -7.585 11.442 -1.857 235 2HH1 ARG 30 1HH2 ARG 30 -7.275 13.144 -1.733 236 1HH2 ARG 30 2HH1 ARG 30 -7.809 13.724 -5.218 237 2HH2 ARG 30 1HH1 ARG 30 -7.385 14.467 -3.712 238 H MET 31 H MET 31 -5.747 6.839 0.815 239 HA MET 31 HA MET 31 -8.306 7.341 2.131 240 1HB MET 31 2HB MET 31 -5.942 5.600 2.937 241 2HB MET 31 3HB MET 31 -7.556 5.517 3.632 242 1HG MET 31 2HG MET 31 -6.747 4.835 0.787 243 2HG MET 31 3HG MET 31 -7.282 3.759 2.054 244 1HE MET 31 1HE MET 31 -9.883 3.684 2.815 245 2HE MET 31 2HE MET 31 -9.972 5.440 3.073 246 3HE MET 31 3HE MET 31 -11.166 4.646 2.037 247 HA PRO 32 HA PRO 32 -6.984 10.397 5.001 248 1HB PRO 32 2HB PRO 32 -8.240 9.703 7.365 249 2HB PRO 32 3HB PRO 32 -9.073 10.421 5.957 250 1HG PRO 32 2HG PRO 32 -8.856 7.489 6.668 251 2HG PRO 32 3HG PRO 32 -10.333 8.399 6.228 252 1HD PRO 32 2HD PRO 32 -9.019 6.924 4.420 253 2HD PRO 32 3HD PRO 32 -9.654 8.520 3.931 254 H GLY 33 H GLY 33 -5.522 10.759 6.793 255 1HA GLY 33 2HA GLY 33 -3.738 10.314 8.093 256 2HA GLY 33 3HA GLY 33 -4.188 8.610 8.125 257 H VAL 34 H VAL 34 -4.045 8.628 4.977 258 HA VAL 34 HA VAL 34 -1.133 8.204 4.842 259 HB VAL 34 HB VAL 34 -3.209 7.695 2.701 260 1HG1 VAL 34 1HG1 VAL 34 -0.309 6.824 3.147 261 2HG1 VAL 34 2HG1 VAL 34 -1.374 6.050 1.979 262 3HG1 VAL 34 3HG1 VAL 34 -0.954 7.771 1.812 263 1HG2 VAL 34 1HG2 VAL 34 -3.859 6.354 4.632 264 2HG2 VAL 34 2HG2 VAL 34 -3.122 5.317 3.418 265 3HG2 VAL 34 3HG2 VAL 34 -2.192 5.788 4.852 266 H THR 35 H THR 35 0.257 9.439 3.570 267 HA THR 35 HA THR 35 -0.999 11.830 2.274 268 HB THR 35 HB THR 35 0.632 11.878 4.521 269 HG1 THR 35 1HG THR 35 -0.013 13.884 2.632 270 1HG2 THR 35 1HG2 THR 35 2.565 13.232 3.854 271 2HG2 THR 35 2HG2 THR 35 2.700 11.589 3.211 272 3HG2 THR 35 3HG2 THR 35 2.228 12.941 2.145 273 H ASP 36 H ASP 36 1.726 9.429 2.085 274 HA ASP 36 HA ASP 36 1.490 9.795 -0.764 275 1HB ASP 36 2HB ASP 36 3.569 11.237 0.471 276 2HB ASP 36 3HB ASP 36 4.359 9.783 -0.144 277 H ALA 37 H ALA 37 3.070 8.268 -1.880 278 HA ALA 37 HA ALA 37 3.612 5.808 -0.506 279 1HB ALA 37 1HB ALA 37 1.229 5.645 -2.401 280 2HB ALA 37 2HB ALA 37 1.883 4.387 -1.321 281 3HB ALA 37 3HB ALA 37 1.050 5.778 -0.637 282 H ASN 38 H ASN 38 4.378 4.043 -1.965 283 HA ASN 38 HA ASN 38 5.430 4.873 -4.506 284 1HB ASN 38 2HB ASN 38 7.851 4.433 -3.046 285 2HB ASN 38 3HB ASN 38 7.342 5.813 -3.995 286 1HD2 ASN 38 1HD2 ASN 38 6.231 4.621 -0.737 287 2HD2 ASN 38 2HD2 ASN 38 6.708 6.110 0.074 288 H VAL 39 H VAL 39 4.380 2.893 -4.963 289 HA VAL 39 HA VAL 39 5.151 0.471 -3.863 290 HB VAL 39 HB VAL 39 3.092 0.672 -4.960 291 1HG1 VAL 39 1HG1 VAL 39 3.042 2.102 -6.705 292 2HG1 VAL 39 2HG1 VAL 39 4.613 1.635 -7.364 293 3HG1 VAL 39 3HG1 VAL 39 3.200 0.609 -7.633 294 1HG2 VAL 39 1HG2 VAL 39 2.988 -1.313 -6.226 295 2HG2 VAL 39 2HG2 VAL 39 4.714 -1.250 -6.611 296 3HG2 VAL 39 3HG2 VAL 39 4.171 -1.528 -4.929 297 H ASN 40 H ASN 40 7.346 0.136 -3.699 298 HA ASN 40 HA ASN 40 9.142 0.472 -5.976 299 1HB ASN 40 2HB ASN 40 9.782 1.069 -3.673 300 2HB ASN 40 3HB ASN 40 9.584 -0.614 -3.171 301 1HD2 ASN 40 1HD2 ASN 40 11.883 -0.405 -2.477 302 2HD2 ASN 40 2HD2 ASN 40 13.143 -0.600 -3.681 303 H LEU 41 H LEU 41 7.451 -1.138 -6.988 304 HA LEU 41 HA LEU 41 7.813 -3.953 -6.498 305 1HB LEU 41 2HB LEU 41 6.185 -2.232 -8.210 306 2HB LEU 41 3HB LEU 41 6.809 -3.569 -9.148 307 HG LEU 41 HG LEU 41 4.562 -3.851 -8.041 308 1HD1 LEU 41 1HD1 LEU 41 6.712 -5.950 -7.603 309 2HD1 LEU 41 2HD1 LEU 41 4.962 -6.256 -7.542 310 3HD1 LEU 41 3HD1 LEU 41 5.718 -5.723 -9.054 311 1HD2 LEU 41 1HD2 LEU 41 4.277 -4.200 -5.792 312 2HD2 LEU 41 2HD2 LEU 41 5.916 -4.822 -5.540 313 3HD2 LEU 41 3HD2 LEU 41 5.648 -3.086 -5.695 314 H ALA 42 H ALA 42 9.639 -1.642 -8.274 315 HA ALA 42 HA ALA 42 11.117 -3.071 -10.115 316 1HB ALA 42 1HB ALA 42 11.500 -0.679 -9.506 317 2HB ALA 42 2HB ALA 42 12.220 -1.222 -7.964 318 3HB ALA 42 3HB ALA 42 13.002 -1.638 -9.497 319 H THR 43 H THR 43 11.353 -3.239 -6.539 320 HA THR 43 HA THR 43 12.773 -5.809 -6.894 321 HB THR 43 HB THR 43 14.515 -4.274 -6.305 322 HG1 THR 43 1HG THR 43 13.655 -5.932 -4.190 323 1HG2 THR 43 1HG2 THR 43 14.576 -3.042 -4.203 324 2HG2 THR 43 2HG2 THR 43 13.202 -2.493 -5.178 325 3HG2 THR 43 3HG2 THR 43 12.940 -3.577 -3.794 326 H GLU 44 H GLU 44 10.046 -5.460 -6.748 327 HA GLU 44 HA GLU 44 8.180 -6.104 -5.617 328 1HB GLU 44 2HB GLU 44 10.336 -8.158 -5.198 329 2HB GLU 44 3HB GLU 44 8.844 -8.364 -4.342 330 1HG GLU 44 2HG GLU 44 7.765 -7.871 -6.784 331 2HG GLU 44 3HG GLU 44 9.315 -8.563 -7.275 332 H THR 45 H THR 45 8.900 -3.956 -4.264 333 HA THR 45 HA THR 45 8.092 -4.669 -1.501 334 HB THR 45 HB THR 45 9.428 -2.236 -1.403 335 HG1 THR 45 1HG THR 45 10.320 -2.850 -3.531 336 1HG2 THR 45 1HG2 THR 45 10.558 -5.011 -0.825 337 2HG2 THR 45 2HG2 THR 45 11.194 -3.488 -0.165 338 3HG2 THR 45 3HG2 THR 45 9.572 -4.043 0.297 339 H VAL 46 H VAL 46 6.822 -2.974 -0.475 340 HA VAL 46 HA VAL 46 5.888 -0.796 -2.249 341 HB VAL 46 HB VAL 46 4.111 -2.431 -2.324 342 1HG1 VAL 46 1HG1 VAL 46 2.865 -3.139 -0.308 343 2HG1 VAL 46 2HG1 VAL 46 4.520 -3.751 -0.305 344 3HG1 VAL 46 3HG1 VAL 46 4.079 -2.366 0.721 345 1HG2 VAL 46 1HG2 VAL 46 3.508 -0.039 -2.191 346 2HG2 VAL 46 2HG2 VAL 46 2.260 -1.086 -1.498 347 3HG2 VAL 46 3HG2 VAL 46 3.343 -0.177 -0.429 348 H ASN 47 H ASN 47 5.926 1.203 -1.256 349 HA ASN 47 HA ASN 47 6.454 1.232 1.665 350 1HB ASN 47 2HB ASN 47 7.778 2.790 -0.595 351 2HB ASN 47 3HB ASN 47 7.699 3.441 1.040 352 1HD2 ASN 47 1HD2 ASN 47 8.441 1.850 2.844 353 2HD2 ASN 47 2HD2 ASN 47 10.039 1.220 2.491 354 H VAL 48 H VAL 48 5.055 2.660 2.806 355 HA VAL 48 HA VAL 48 3.310 4.406 1.173 356 HB VAL 48 HB VAL 48 2.322 2.547 3.352 357 1HG1 VAL 48 1HG1 VAL 48 1.232 4.898 3.034 358 2HG1 VAL 48 2HG1 VAL 48 0.693 4.288 1.468 359 3HG1 VAL 48 3HG1 VAL 48 0.187 3.486 2.977 360 1HG2 VAL 48 1HG2 VAL 48 0.968 1.505 1.539 361 2HG2 VAL 48 2HG2 VAL 48 1.909 2.421 0.343 362 3HG2 VAL 48 3HG2 VAL 48 2.704 1.212 1.373 363 H ILE 49 H ILE 49 3.215 6.366 2.082 364 HA ILE 49 HA ILE 49 4.710 6.765 4.565 365 HB ILE 49 HB ILE 49 4.030 8.865 2.463 366 1HG1 ILE 49 2HG1 ILE 49 5.243 7.224 1.215 367 2HG1 ILE 49 3HG1 ILE 49 6.250 8.632 1.518 368 1HG2 ILE 49 1HG2 ILE 49 4.663 9.782 4.600 369 2HG2 ILE 49 2HG2 ILE 49 6.096 8.749 4.691 370 3HG2 ILE 49 3HG2 ILE 49 5.992 10.025 3.458 371 1HD1 ILE 49 1HD1 ILE 49 7.380 7.405 3.375 372 2HD1 ILE 49 2HD1 ILE 49 6.442 5.953 2.952 373 3HD1 ILE 49 3HD1 ILE 49 7.598 6.641 1.802 374 H TYR 50 H TYR 50 3.163 6.768 6.226 375 HA TYR 50 HA TYR 50 0.786 8.536 5.959 376 1HB TYR 50 2HB TYR 50 -0.737 6.821 6.699 377 2HB TYR 50 3HB TYR 50 0.049 6.315 5.223 378 HD1 TYR 50 HD1 TYR 50 -0.222 5.724 8.853 379 HD2 TYR 50 HD2 TYR 50 1.504 4.346 5.165 380 HE1 TYR 50 HE1 TYR 50 0.435 3.577 9.910 381 HE2 TYR 50 HE2 TYR 50 1.685 2.078 6.097 382 HH TYR 50 HH TYR 50 1.162 0.704 7.914 383 H ASP 51 H ASP 51 -0.436 8.573 8.039 384 HA ASP 51 HA ASP 51 1.481 9.110 10.231 385 1HB ASP 51 2HB ASP 51 -0.146 10.823 9.748 386 2HB ASP 51 3HB ASP 51 -1.476 9.678 9.911 387 HA PRO 52 HA PRO 52 0.091 4.975 11.586 388 1HB PRO 52 2HB PRO 52 2.001 4.337 13.372 389 2HB PRO 52 3HB PRO 52 2.307 4.361 11.617 390 1HG PRO 52 2HG PRO 52 2.854 6.605 13.603 391 2HG PRO 52 3HG PRO 52 4.007 5.896 12.434 392 1HD PRO 52 2HD PRO 52 2.605 8.166 11.889 393 2HD PRO 52 3HD PRO 52 2.928 6.949 10.615 394 H ALA 53 H ALA 53 -0.278 7.987 13.104 395 HA ALA 53 HA ALA 53 -1.390 6.841 15.591 396 1HB ALA 53 1HB ALA 53 -1.452 9.666 14.472 397 2HB ALA 53 2HB ALA 53 -1.911 9.142 16.100 398 3HB ALA 53 3HB ALA 53 -0.209 9.056 15.591 399 H GLU 54 H GLU 54 -2.213 7.876 12.277 400 HA GLU 54 HA GLU 54 -5.053 7.948 13.042 401 1HB GLU 54 2HB GLU 54 -3.840 9.998 11.986 402 2HB GLU 54 3HB GLU 54 -4.055 9.134 10.459 403 1HG GLU 54 2HG GLU 54 -6.533 8.946 11.036 404 2HG GLU 54 3HG GLU 54 -6.209 9.935 12.471 405 H THR 55 H THR 55 -2.938 6.926 10.353 406 HA THR 55 HA THR 55 -4.607 4.558 10.016 407 HB THR 55 HB THR 55 -2.862 4.173 7.939 408 HG1 THR 55 1HG THR 55 -3.737 6.701 7.588 409 1HG2 THR 55 1HG2 THR 55 -5.558 5.643 8.038 410 2HG2 THR 55 2HG2 THR 55 -4.821 4.860 6.607 411 3HG2 THR 55 3HG2 THR 55 -5.304 3.873 8.007 412 H GLY 56 H GLY 56 -3.017 2.736 9.257 413 1HA GLY 56 2HA GLY 56 -0.835 1.985 10.854 414 2HA GLY 56 3HA GLY 56 -2.371 1.483 11.611 415 H THR 57 H THR 57 -2.454 -0.678 10.964 416 HA THR 57 HA THR 57 -1.881 -1.608 8.248 417 HB THR 57 HB THR 57 -2.691 -3.759 9.401 418 HG1 THR 57 1HG THR 57 -2.919 -3.582 11.651 419 1HG2 THR 57 1HG2 THR 57 -0.608 -3.968 10.763 420 2HG2 THR 57 2HG2 THR 57 -0.268 -3.150 9.227 421 3HG2 THR 57 3HG2 THR 57 -0.384 -2.207 10.722 422 H ALA 58 H ALA 58 -4.479 -0.991 10.527 423 HA ALA 58 HA ALA 58 -6.640 -2.112 9.644 424 1HB ALA 58 1HB ALA 58 -6.608 -0.593 11.553 425 2HB ALA 58 2HB ALA 58 -6.557 0.811 10.467 426 3HB ALA 58 3HB ALA 58 -7.991 -0.237 10.502 427 H ALA 59 H ALA 59 -5.736 0.996 8.166 428 HA ALA 59 HA ALA 59 -8.254 0.865 6.575 429 1HB ALA 59 1HB ALA 59 -7.654 2.957 5.591 430 2HB ALA 59 2HB ALA 59 -7.365 3.069 7.338 431 3HB ALA 59 3HB ALA 59 -5.997 2.839 6.196 432 H ILE 60 H ILE 60 -4.804 0.573 6.154 433 HA ILE 60 HA ILE 60 -4.678 0.172 3.372 434 HB ILE 60 HB ILE 60 -2.916 -0.417 5.785 435 1HG1 ILE 60 2HG1 ILE 60 -1.506 0.882 3.822 436 2HG1 ILE 60 3HG1 ILE 60 -3.113 1.479 3.495 437 1HG2 ILE 60 1HG2 ILE 60 -2.498 -2.403 4.484 438 2HG2 ILE 60 2HG2 ILE 60 -2.319 -1.440 2.998 439 3HG2 ILE 60 3HG2 ILE 60 -1.143 -1.289 4.328 440 1HD1 ILE 60 1HD1 ILE 60 -1.505 1.688 6.082 441 2HD1 ILE 60 2HD1 ILE 60 -1.973 3.008 5.007 442 3HD1 ILE 60 3HD1 ILE 60 -3.217 2.179 5.964 443 H GLN 61 H GLN 61 -4.941 -2.343 5.956 444 HA GLN 61 HA GLN 61 -4.997 -4.424 4.039 445 1HB GLN 61 2HB GLN 61 -5.267 -4.215 6.895 446 2HB GLN 61 3HB GLN 61 -6.594 -5.191 6.281 447 1HG GLN 61 2HG GLN 61 -5.270 -6.956 6.203 448 2HG GLN 61 3HG GLN 61 -4.312 -6.223 4.929 449 1HE2 GLN 61 1HE2 GLN 61 -2.867 -4.231 6.125 450 2HE2 GLN 61 2HE2 GLN 61 -1.855 -4.941 7.377 451 H GLU 62 H GLU 62 -7.669 -2.590 5.593 452 HA GLU 62 HA GLU 62 -9.883 -3.843 4.464 453 1HB GLU 62 2HB GLU 62 -9.265 -1.274 5.708 454 2HB GLU 62 3HB GLU 62 -10.323 -0.988 4.341 455 1HG GLU 62 2HG GLU 62 -10.892 -3.026 6.526 456 2HG GLU 62 3HG GLU 62 -11.508 -1.367 6.507 457 H LYS 63 H LYS 63 -8.069 -1.068 3.029 458 HA LYS 63 HA LYS 63 -9.552 -1.183 0.590 459 1HB LYS 63 2HB LYS 63 -7.134 0.259 1.685 460 2HB LYS 63 3HB LYS 63 -7.547 0.378 0.003 461 1HG LYS 63 2HG LYS 63 -9.464 1.028 2.306 462 2HG LYS 63 3HG LYS 63 -8.480 2.167 1.407 463 1HD LYS 63 2HD LYS 63 -10.378 2.503 0.258 464 2HD LYS 63 3HD LYS 63 -9.660 1.252 -0.734 465 1HE LYS 63 2HE LYS 63 -11.447 -0.090 -0.415 466 2HE LYS 63 3HE LYS 63 -11.306 -0.002 1.351 467 1HZ LYS 63 1HZ LYS 63 -13.400 0.785 0.605 468 2HZ LYS 63 2HZ LYS 63 -12.569 2.021 1.289 469 3HZ LYS 63 3HZ LYS 63 -12.714 1.933 -0.353 470 H ILE 64 H ILE 64 -6.417 -2.564 1.567 471 HA ILE 64 HA ILE 64 -5.331 -3.273 -0.836 472 HB ILE 64 HB ILE 64 -5.233 -4.153 1.940 473 1HG1 ILE 64 2HG1 ILE 64 -3.766 -2.436 0.765 474 2HG1 ILE 64 3HG1 ILE 64 -2.992 -3.645 1.785 475 1HG2 ILE 64 1HG2 ILE 64 -3.765 -6.057 1.528 476 2HG2 ILE 64 2HG2 ILE 64 -5.475 -6.326 1.220 477 3HG2 ILE 64 3HG2 ILE 64 -4.362 -6.080 -0.155 478 1HD1 ILE 64 1HD1 ILE 64 -2.332 -4.969 -0.140 479 2HD1 ILE 64 2HD1 ILE 64 -3.179 -3.861 -1.242 480 3HD1 ILE 64 3HD1 ILE 64 -1.764 -3.301 -0.318 481 H GLU 65 H GLU 65 -7.605 -5.027 1.368 482 HA GLU 65 HA GLU 65 -8.267 -7.240 -0.259 483 1HB GLU 65 2HB GLU 65 -9.649 -5.823 2.051 484 2HB GLU 65 3HB GLU 65 -10.379 -7.223 1.258 485 1HG GLU 65 2HG GLU 65 -7.523 -7.489 2.165 486 2HG GLU 65 3HG GLU 65 -8.804 -7.482 3.385 487 H LYS 66 H LYS 66 -10.195 -4.207 0.266 488 HA LYS 66 HA LYS 66 -12.226 -4.951 -1.575 489 1HB LYS 66 2HB LYS 66 -11.320 -2.339 -0.395 490 2HB LYS 66 3HB LYS 66 -12.390 -2.289 -1.800 491 1HG LYS 66 2HG LYS 66 -13.849 -2.200 0.007 492 2HG LYS 66 3HG LYS 66 -13.968 -3.851 -0.603 493 1HD LYS 66 2HD LYS 66 -12.308 -4.511 1.283 494 2HD LYS 66 3HD LYS 66 -12.399 -2.837 1.815 495 1HE LYS 66 2HE LYS 66 -13.905 -3.987 3.201 496 2HE LYS 66 3HE LYS 66 -14.918 -3.106 2.069 497 1HZ LYS 66 1HZ LYS 66 -15.130 -5.227 0.860 498 2HZ LYS 66 2HZ LYS 66 -14.160 -5.959 1.980 499 3HZ LYS 66 3HZ LYS 66 -15.623 -5.365 2.429 500 H LEU 67 H LEU 67 -9.144 -3.340 -2.228 501 HA LEU 67 HA LEU 67 -9.683 -2.821 -5.025 502 1HB LEU 67 2HB LEU 67 -7.196 -2.845 -3.293 503 2HB LEU 67 3HB LEU 67 -7.119 -2.568 -5.027 504 HG LEU 67 HG LEU 67 -9.060 -0.898 -3.421 505 1HD1 LEU 67 1HD1 LEU 67 -7.163 -0.497 -2.089 506 2HD1 LEU 67 2HD1 LEU 67 -6.055 -0.578 -3.443 507 3HD1 LEU 67 3HD1 LEU 67 -7.136 0.821 -3.262 508 1HD2 LEU 67 1HD2 LEU 67 -7.336 -0.343 -5.880 509 2HD2 LEU 67 2HD2 LEU 67 -9.052 -0.786 -5.910 510 3HD2 LEU 67 3HD2 LEU 67 -8.550 0.747 -5.184 511 H GLY 68 H GLY 68 -8.909 -5.701 -3.260 512 1HA GLY 68 2HA GLY 68 -9.051 -7.822 -4.104 513 2HA GLY 68 3HA GLY 68 -8.893 -7.221 -5.760 514 H TYR 69 H TYR 69 -6.781 -6.767 -2.850 515 HA TYR 69 HA TYR 69 -4.576 -8.254 -4.208 516 1HB TYR 69 2HB TYR 69 -4.821 -5.376 -3.742 517 2HB TYR 69 3HB TYR 69 -3.469 -6.023 -2.843 518 HD1 TYR 69 HD1 TYR 69 -1.463 -6.745 -3.943 519 HD2 TYR 69 HD2 TYR 69 -5.018 -5.931 -6.243 520 HE1 TYR 69 HE1 TYR 69 -0.109 -6.571 -5.960 521 HE2 TYR 69 HE2 TYR 69 -3.677 -5.849 -8.294 522 HH TYR 69 HH TYR 69 -0.099 -6.086 -8.252 523 H HIS 70 H HIS 70 -2.676 -8.422 -2.591 524 HA HIS 70 HA HIS 70 -3.504 -8.341 0.213 525 1HB HIS 70 2HB HIS 70 -3.844 -10.721 -0.870 526 2HB HIS 70 3HB HIS 70 -2.095 -10.855 -0.677 527 HD1 HIS 70 1HD HIS 70 -1.797 -9.570 2.270 528 HD2 HIS 70 2HD HIS 70 -4.868 -12.161 0.978 529 HE1 HIS 70 1HE HIS 70 -2.894 -10.507 4.355 530 H VAL 71 H VAL 71 -1.951 -7.428 1.348 531 HA VAL 71 HA VAL 71 0.796 -7.113 0.314 532 HB VAL 71 HB VAL 71 -0.326 -5.139 1.064 533 1HG1 VAL 71 1HG1 VAL 71 -0.907 -4.751 3.442 534 2HG1 VAL 71 2HG1 VAL 71 -1.852 -6.110 2.835 535 3HG1 VAL 71 3HG1 VAL 71 -0.434 -6.407 3.856 536 1HG2 VAL 71 1HG2 VAL 71 1.940 -5.921 2.910 537 2HG2 VAL 71 2HG2 VAL 71 2.033 -5.094 1.330 538 3HG2 VAL 71 3HG2 VAL 71 1.302 -4.281 2.707 539 H VAL 72 H VAL 72 2.593 -7.890 1.598 540 HA VAL 72 HA VAL 72 1.956 -10.053 3.554 541 HB VAL 72 HB VAL 72 4.208 -10.016 1.635 542 1HG1 VAL 72 1HG1 VAL 72 4.773 -11.256 3.644 543 2HG1 VAL 72 2HG1 VAL 72 3.261 -12.187 3.524 544 3HG1 VAL 72 3HG1 VAL 72 4.537 -12.377 2.306 545 1HG2 VAL 72 1HG2 VAL 72 1.649 -11.666 1.506 546 2HG2 VAL 72 2HG2 VAL 72 2.143 -10.416 0.340 547 3HG2 VAL 72 3HG2 VAL 72 3.071 -11.913 0.471 548 H ILE 73 H ILE 73 3.195 -10.073 5.337 549 HA ILE 73 HA ILE 73 4.541 -7.509 5.974 550 HB ILE 73 HB ILE 73 3.354 -9.535 7.866 551 1HG1 ILE 73 2HG1 ILE 73 1.535 -8.791 6.466 552 2HG1 ILE 73 3HG1 ILE 73 1.457 -8.013 8.037 553 1HG2 ILE 73 1HG2 ILE 73 4.969 -8.051 8.934 554 2HG2 ILE 73 2HG2 ILE 73 4.253 -6.632 8.162 555 3HG2 ILE 73 3HG2 ILE 73 3.341 -7.539 9.389 556 1HD1 ILE 73 1HD1 ILE 73 2.442 -6.674 5.486 557 2HD1 ILE 73 2HD1 ILE 73 0.878 -6.442 6.272 558 3HD1 ILE 73 3HD1 ILE 73 2.352 -5.918 7.096 559 H GLU 74 H GLU 74 6.474 -8.437 4.826 560 HA GLU 74 HA GLU 74 7.871 -10.585 5.908 561 1HB GLU 74 2HB GLU 74 8.172 -8.750 3.722 562 2HB GLU 74 3HB GLU 74 9.723 -9.117 4.477 563 1HG GLU 74 2HG GLU 74 7.788 -11.302 3.627 564 2HG GLU 74 3HG GLU 74 9.085 -10.678 2.596 565 H GLY 75 H GLY 75 7.451 -7.897 7.493 566 1HA GLY 75 2HA GLY 75 8.465 -6.918 9.365 567 2HA GLY 75 3HA GLY 75 9.537 -8.327 9.413 568 H ARG 76 H ARG 76 8.997 -5.216 7.659 569 HA ARG 76 HA ARG 76 11.831 -4.619 7.640 570 1HB ARG 76 2HB ARG 76 10.065 -5.034 5.213 571 2HB ARG 76 3HB ARG 76 10.872 -3.486 5.341 572 1HG ARG 76 2HG ARG 76 12.385 -4.740 4.103 573 2HG ARG 76 3HG ARG 76 13.055 -4.720 5.731 574 1HD ARG 76 2HD ARG 76 11.695 -7.059 5.926 575 2HD ARG 76 3HD ARG 76 11.729 -6.967 4.185 576 HE ARG 76 HE ARG 76 13.997 -7.336 4.138 577 1HH1 ARG 76 2HH2 ARG 76 12.940 -7.042 7.540 578 2HH1 ARG 76 1HH2 ARG 76 14.522 -7.275 8.188 579 1HH2 ARG 76 2HH1 ARG 76 16.097 -7.668 5.021 580 2HH2 ARG 76 1HH1 ARG 76 16.338 -7.698 6.738 Start of MODEL 26 1 1H MET 1 H1 MET 1 -2.276 21.085 16.352 2 2H MET 1 H2 MET 1 -2.348 20.858 18.005 3 3H MET 1 H3 MET 1 -0.892 20.971 17.208 4 HA MET 1 HA MET 1 -1.172 18.682 17.532 5 1HB MET 1 2HB MET 1 -3.981 19.276 16.503 6 2HB MET 1 3HB MET 1 -3.308 17.640 16.522 7 1HG MET 1 2HG MET 1 -3.082 17.625 18.897 8 2HG MET 1 3HG MET 1 -3.436 19.354 19.033 9 1HE MET 1 1HE MET 1 -4.777 17.071 20.821 10 2HE MET 1 2HE MET 1 -5.054 18.822 21.007 11 3HE MET 1 3HE MET 1 -6.436 17.709 20.876 12 H LEU 2 H LEU 2 -0.523 17.214 15.738 13 HA LEU 2 HA LEU 2 -0.705 18.130 13.016 14 1HB LEU 2 2HB LEU 2 1.325 19.295 14.569 15 2HB LEU 2 3HB LEU 2 2.156 17.929 13.841 16 HG LEU 2 HG LEU 2 0.533 19.975 12.251 17 1HD1 LEU 2 1HD1 LEU 2 2.325 21.129 13.470 18 2HD1 LEU 2 2HD1 LEU 2 3.518 19.963 12.856 19 3HD1 LEU 2 3HD1 LEU 2 2.685 21.066 11.739 20 1HD2 LEU 2 1HD2 LEU 2 2.684 17.961 11.428 21 2HD2 LEU 2 2HD2 LEU 2 0.963 17.908 10.986 22 3HD2 LEU 2 3HD2 LEU 2 1.988 19.200 10.365 23 H SER 3 H SER 3 -0.140 16.376 11.655 24 HA SER 3 HA SER 3 -0.017 13.727 12.824 25 1HB SER 3 2HB SER 3 -0.153 14.867 9.989 26 2HB SER 3 3HB SER 3 -0.096 13.148 10.362 27 HG SER 3 HG SER 3 -2.021 13.217 11.273 28 H GLU 4 H GLU 4 1.839 12.745 13.122 29 HA GLU 4 HA GLU 4 4.374 13.462 11.826 30 1HB GLU 4 2HB GLU 4 3.511 11.467 13.815 31 2HB GLU 4 3HB GLU 4 4.621 10.817 12.631 32 1HG GLU 4 2HG GLU 4 5.954 13.024 13.207 33 2HG GLU 4 3HG GLU 4 5.031 12.884 14.701 34 H GLN 5 H GLN 5 5.341 11.488 10.557 35 HA GLN 5 HA GLN 5 3.371 10.083 8.914 36 1HB GLN 5 2HB GLN 5 5.680 11.743 7.892 37 2HB GLN 5 3HB GLN 5 5.003 10.445 6.935 38 1HG GLN 5 2HG GLN 5 2.902 12.307 7.901 39 2HG GLN 5 3HG GLN 5 4.164 13.135 6.985 40 1HE2 GLN 5 1HE2 GLN 5 2.650 9.869 6.748 41 2HE2 GLN 5 2HE2 GLN 5 2.268 9.989 5.035 42 H LYS 6 H LYS 6 4.241 8.014 8.331 43 HA LYS 6 HA LYS 6 7.104 7.555 8.768 44 1HB LYS 6 2HB LYS 6 4.940 5.836 9.999 45 2HB LYS 6 3HB LYS 6 6.543 5.207 9.692 46 1HG LYS 6 2HG LYS 6 6.075 7.639 11.459 47 2HG LYS 6 3HG LYS 6 6.168 5.976 12.040 48 1HD LYS 6 2HD LYS 6 8.374 6.078 12.140 49 2HD LYS 6 3HD LYS 6 8.465 6.281 10.384 50 1HE LYS 6 2HE LYS 6 8.364 8.701 10.585 51 2HE LYS 6 3HE LYS 6 8.060 8.610 12.334 52 1HZ LYS 6 1HZ LYS 6 10.288 9.146 11.821 53 2HZ LYS 6 2HZ LYS 6 10.279 7.648 12.503 54 3HZ LYS 6 3HZ LYS 6 10.479 7.814 10.863 55 H GLU 7 H GLU 7 7.881 5.883 7.669 56 HA GLU 7 HA GLU 7 6.467 5.053 5.201 57 1HB GLU 7 2HB GLU 7 9.434 4.751 5.392 58 2HB GLU 7 3HB GLU 7 8.414 5.369 4.113 59 1HG GLU 7 2HG GLU 7 9.723 7.166 4.740 60 2HG GLU 7 3HG GLU 7 8.240 7.530 5.619 61 H ILE 8 H ILE 8 5.595 3.018 5.602 62 HA ILE 8 HA ILE 8 7.316 0.979 6.980 63 HB ILE 8 HB ILE 8 5.479 -0.507 6.882 64 1HG1 ILE 8 2HG1 ILE 8 3.191 0.348 6.284 65 2HG1 ILE 8 3HG1 ILE 8 3.974 1.680 5.403 66 1HG2 ILE 8 1HG2 ILE 8 5.701 0.981 8.767 67 2HG2 ILE 8 2HG2 ILE 8 4.616 2.151 7.970 68 3HG2 ILE 8 3HG2 ILE 8 4.026 0.517 8.393 69 1HD1 ILE 8 1HD1 ILE 8 4.907 -1.119 4.955 70 2HD1 ILE 8 2HD1 ILE 8 3.318 -0.705 4.298 71 3HD1 ILE 8 3HD1 ILE 8 4.772 0.196 3.776 72 H ALA 9 H ALA 9 7.662 -1.108 5.822 73 HA ALA 9 HA ALA 9 7.703 -0.887 2.869 74 1HB ALA 9 1HB ALA 9 9.994 -0.322 3.757 75 2HB ALA 9 2HB ALA 9 10.023 -1.879 4.593 76 3HB ALA 9 3HB ALA 9 9.956 -1.830 2.817 77 H MET 10 H MET 10 6.520 -2.720 2.181 78 HA MET 10 HA MET 10 6.748 -5.234 3.787 79 1HB MET 10 2HB MET 10 4.141 -3.801 3.136 80 2HB MET 10 3HB MET 10 4.228 -5.495 3.634 81 1HG MET 10 2HG MET 10 5.273 -3.184 5.282 82 2HG MET 10 3HG MET 10 3.720 -3.967 5.525 83 1HE MET 10 1HE MET 10 4.679 -3.883 8.083 84 2HE MET 10 2HE MET 10 6.142 -4.766 8.592 85 3HE MET 10 3HE MET 10 6.291 -3.348 7.535 86 H GLN 11 H GLN 11 5.401 -7.016 2.594 87 HA GLN 11 HA GLN 11 6.537 -7.024 -0.150 88 1HB GLN 11 2HB GLN 11 5.812 -9.127 1.931 89 2HB GLN 11 3HB GLN 11 5.793 -9.581 0.227 90 1HG GLN 11 2HG GLN 11 8.158 -8.558 1.848 91 2HG GLN 11 3HG GLN 11 7.925 -10.178 1.167 92 1HE2 GLN 11 1HE2 GLN 11 7.122 -9.794 -1.411 93 2HE2 GLN 11 2HE2 GLN 11 8.080 -8.577 -2.245 94 H VAL 12 H VAL 12 5.274 -8.027 -1.858 95 HA VAL 12 HA VAL 12 2.377 -7.300 -1.641 96 HB VAL 12 HB VAL 12 4.216 -7.117 -4.065 97 1HG1 VAL 12 1HG1 VAL 12 1.852 -7.376 -4.684 98 2HG1 VAL 12 2HG1 VAL 12 1.384 -6.109 -3.523 99 3HG1 VAL 12 3HG1 VAL 12 2.349 -5.704 -4.952 100 1HG2 VAL 12 1HG2 VAL 12 3.262 -4.973 -2.129 101 2HG2 VAL 12 2HG2 VAL 12 4.954 -5.443 -2.431 102 3HG2 VAL 12 3HG2 VAL 12 4.025 -4.629 -3.689 103 H SER 13 H SER 13 0.869 -8.672 -2.825 104 HA SER 13 HA SER 13 1.920 -10.970 -4.301 105 1HB SER 13 2HB SER 13 0.304 -11.238 -1.731 106 2HB SER 13 3HB SER 13 0.396 -12.529 -2.944 107 HG SER 13 HG SER 13 2.830 -11.431 -2.191 108 H GLY 14 H GLY 14 -0.149 -12.229 -5.161 109 1HA GLY 14 2HA GLY 14 -2.219 -12.166 -6.188 110 2HA GLY 14 3HA GLY 14 -2.522 -10.546 -5.550 111 H MET 15 H MET 15 -0.146 -9.307 -6.538 112 HA MET 15 HA MET 15 -0.734 -8.247 -8.913 113 1HB MET 15 2HB MET 15 1.564 -7.516 -9.056 114 2HB MET 15 3HB MET 15 1.146 -7.664 -7.343 115 1HG MET 15 2HG MET 15 3.176 -8.705 -7.292 116 2HG MET 15 3HG MET 15 2.168 -10.106 -7.642 117 1HE MET 15 1HE MET 15 5.180 -11.180 -9.721 118 2HE MET 15 2HE MET 15 5.046 -10.615 -8.039 119 3HE MET 15 3HE MET 15 3.807 -11.703 -8.720 120 H THR 16 H THR 16 -0.453 -8.517 -11.080 121 HA THR 16 HA THR 16 0.707 -11.066 -12.109 122 HB THR 16 HB THR 16 -0.708 -10.110 -14.217 123 HG1 THR 16 1HG THR 16 -2.308 -9.527 -11.956 124 1HG2 THR 16 1HG2 THR 16 -2.519 -11.684 -13.514 125 2HG2 THR 16 2HG2 THR 16 -0.897 -12.376 -13.358 126 3HG2 THR 16 3HG2 THR 16 -1.758 -11.819 -11.908 127 H CYS 17 H CYS 17 0.487 -7.492 -12.776 128 HA CYS 17 HA CYS 17 3.112 -7.746 -14.154 129 1HB CYS 17 2HB CYS 17 2.349 -6.337 -15.928 130 2HB CYS 17 3HB CYS 17 1.189 -7.665 -15.777 131 H ALA 18 H ALA 18 4.229 -5.702 -14.355 132 HA ALA 18 HA ALA 18 4.274 -4.273 -11.818 133 1HB ALA 18 1HB ALA 18 6.338 -4.954 -12.987 134 2HB ALA 18 2HB ALA 18 5.911 -3.914 -14.364 135 3HB ALA 18 3HB ALA 18 6.261 -3.194 -12.779 136 H ALA 19 H ALA 19 1.844 -3.762 -12.642 137 HA ALA 19 HA ALA 19 1.906 -0.864 -13.298 138 1HB ALA 19 1HB ALA 19 0.151 -1.024 -14.947 139 2HB ALA 19 2HB ALA 19 1.499 -2.054 -15.462 140 3HB ALA 19 3HB ALA 19 0.041 -2.779 -14.756 141 H CYS 20 H CYS 20 -0.367 -3.601 -12.617 142 HA CYS 20 HA CYS 20 -2.333 -2.042 -11.476 143 1HB CYS 20 2HB CYS 20 -1.636 -4.906 -10.662 144 2HB CYS 20 3HB CYS 20 -3.201 -4.086 -10.474 145 H ALA 21 H ALA 21 0.440 -3.474 -9.799 146 HA ALA 21 HA ALA 21 -0.211 -2.776 -7.179 147 1HB ALA 21 1HB ALA 21 2.595 -2.715 -8.335 148 2HB ALA 21 2HB ALA 21 2.083 -3.096 -6.671 149 3HB ALA 21 3HB ALA 21 1.714 -4.215 -7.980 150 H ALA 22 H ALA 22 0.682 -0.580 -9.796 151 HA ALA 22 HA ALA 22 1.496 1.627 -8.068 152 1HB ALA 22 1HB ALA 22 2.107 1.458 -10.494 153 2HB ALA 22 2HB ALA 22 0.388 1.650 -10.911 154 3HB ALA 22 3HB ALA 22 1.248 2.960 -10.090 155 H ARG 23 H ARG 23 -1.461 0.531 -9.752 156 HA ARG 23 HA ARG 23 -3.099 2.784 -9.156 157 1HB ARG 23 2HB ARG 23 -3.737 -0.119 -9.779 158 2HB ARG 23 3HB ARG 23 -4.987 1.096 -9.536 159 1HG ARG 23 2HG ARG 23 -4.588 2.187 -11.478 160 2HG ARG 23 3HG ARG 23 -2.847 1.898 -11.463 161 1HD ARG 23 2HD ARG 23 -2.956 -0.125 -12.487 162 2HD ARG 23 3HD ARG 23 -4.545 -0.553 -11.882 163 HE ARG 23 HE ARG 23 -3.860 0.873 -14.324 164 1HH1 ARG 23 2HH2 ARG 23 -6.392 0.385 -11.936 165 2HH1 ARG 23 1HH2 ARG 23 -7.723 0.681 -13.013 166 1HH2 ARG 23 2HH1 ARG 23 -5.590 1.343 -15.800 167 2HH2 ARG 23 1HH1 ARG 23 -7.237 1.283 -15.266 168 H ILE 24 H ILE 24 -2.646 -0.351 -7.411 169 HA ILE 24 HA ILE 24 -4.571 0.286 -5.441 170 HB ILE 24 HB ILE 24 -3.838 -1.399 -4.082 171 1HG1 ILE 24 2HG1 ILE 24 -1.243 -1.187 -5.519 172 2HG1 ILE 24 3HG1 ILE 24 -1.592 -1.015 -3.783 173 1HG2 ILE 24 1HG2 ILE 24 -3.214 -2.406 -6.883 174 2HG2 ILE 24 2HG2 ILE 24 -4.063 -3.214 -5.546 175 3HG2 ILE 24 3HG2 ILE 24 -4.847 -1.894 -6.405 176 1HD1 ILE 24 1HD1 ILE 24 -0.443 -3.102 -4.139 177 2HD1 ILE 24 2HD1 ILE 24 -2.136 -3.452 -3.711 178 3HD1 ILE 24 3HD1 ILE 24 -1.590 -3.541 -5.413 179 H GLU 25 H GLU 25 -0.996 0.780 -5.150 180 HA GLU 25 HA GLU 25 -1.096 2.245 -2.775 181 1HB GLU 25 2HB GLU 25 0.804 2.051 -5.072 182 2HB GLU 25 3HB GLU 25 0.982 3.470 -4.025 183 1HG GLU 25 2HG GLU 25 2.370 1.505 -3.312 184 2HG GLU 25 3HG GLU 25 1.295 2.115 -2.058 185 H LYS 26 H LYS 26 -1.732 3.496 -6.064 186 HA LYS 26 HA LYS 26 -1.672 6.237 -5.100 187 1HB LYS 26 2HB LYS 26 -2.525 5.109 -7.739 188 2HB LYS 26 3HB LYS 26 -2.917 6.758 -7.260 189 1HG LYS 26 2HG LYS 26 -0.928 7.031 -8.398 190 2HG LYS 26 3HG LYS 26 -0.438 7.142 -6.700 191 1HD LYS 26 2HD LYS 26 0.333 4.762 -6.782 192 2HD LYS 26 3HD LYS 26 -0.363 4.680 -8.396 193 1HE LYS 26 2HE LYS 26 1.908 4.906 -8.872 194 2HE LYS 26 3HE LYS 26 1.301 6.549 -9.078 195 1HZ LYS 26 1HZ LYS 26 2.701 5.466 -6.704 196 2HZ LYS 26 2HZ LYS 26 3.328 6.496 -7.817 197 3HZ LYS 26 3HZ LYS 26 2.130 6.998 -6.810 198 H GLY 27 H GLY 27 -4.305 3.910 -5.840 199 1HA GLY 27 2HA GLY 27 -6.489 5.625 -5.078 200 2HA GLY 27 3HA GLY 27 -6.507 3.856 -5.143 201 H LEU 28 H LEU 28 -4.331 3.396 -3.328 202 HA LEU 28 HA LEU 28 -5.756 3.375 -0.871 203 1HB LEU 28 2HB LEU 28 -4.108 1.686 -1.409 204 2HB LEU 28 3HB LEU 28 -2.824 2.885 -1.516 205 HG LEU 28 HG LEU 28 -2.757 1.427 0.463 206 1HD1 LEU 28 1HD1 LEU 28 -3.078 4.301 1.351 207 2HD1 LEU 28 2HD1 LEU 28 -2.048 3.032 1.999 208 3HD1 LEU 28 3HD1 LEU 28 -1.696 3.701 0.400 209 1HD2 LEU 28 1HD2 LEU 28 -4.924 1.021 1.120 210 2HD2 LEU 28 2HD2 LEU 28 -4.311 2.079 2.398 211 3HD2 LEU 28 3HD2 LEU 28 -5.392 2.736 1.180 212 H LYS 29 H LYS 29 -3.076 5.471 -2.107 213 HA LYS 29 HA LYS 29 -2.884 7.121 0.137 214 1HB LYS 29 2HB LYS 29 -1.432 7.163 -1.928 215 2HB LYS 29 3HB LYS 29 -2.717 8.081 -2.724 216 1HG LYS 29 2HG LYS 29 -2.356 9.521 -0.342 217 2HG LYS 29 3HG LYS 29 -0.770 8.882 -0.597 218 1HD LYS 29 2HD LYS 29 -2.313 10.266 -2.843 219 2HD LYS 29 3HD LYS 29 -1.528 11.216 -1.585 220 1HE LYS 29 2HE LYS 29 0.561 10.864 -2.302 221 2HE LYS 29 3HE LYS 29 0.282 9.158 -2.736 222 1HZ LYS 29 1HZ LYS 29 0.832 10.532 -4.549 223 2HZ LYS 29 2HZ LYS 29 -0.686 9.900 -4.752 224 3HZ LYS 29 3HZ LYS 29 -0.489 11.492 -4.329 225 H ARG 30 H ARG 30 -5.647 6.946 -2.089 226 HA ARG 30 HA ARG 30 -6.623 9.601 -1.342 227 1HB ARG 30 2HB ARG 30 -7.417 7.516 -3.251 228 2HB ARG 30 3HB ARG 30 -8.789 8.066 -2.307 229 1HG ARG 30 2HG ARG 30 -8.696 9.474 -4.188 230 2HG ARG 30 3HG ARG 30 -8.075 10.448 -2.852 231 1HD ARG 30 2HD ARG 30 -5.715 9.529 -3.642 232 2HD ARG 30 3HD ARG 30 -6.524 9.150 -5.150 233 HE ARG 30 HE ARG 30 -5.647 11.708 -4.142 234 1HH1 ARG 30 2HH2 ARG 30 -8.222 10.303 -6.076 235 2HH1 ARG 30 1HH2 ARG 30 -8.593 11.753 -6.959 236 1HH2 ARG 30 2HH1 ARG 30 -6.076 13.660 -5.294 237 2HH2 ARG 30 1HH1 ARG 30 -7.316 13.711 -6.500 238 H MET 31 H MET 31 -6.390 6.726 0.433 239 HA MET 31 HA MET 31 -8.929 6.848 1.768 240 1HB MET 31 2HB MET 31 -8.147 5.012 2.981 241 2HB MET 31 3HB MET 31 -7.380 4.851 1.411 242 1HG MET 31 2HG MET 31 -5.446 4.625 2.513 243 2HG MET 31 3HG MET 31 -5.516 6.321 2.928 244 1HE MET 31 1HE MET 31 -6.296 2.535 5.110 245 2HE MET 31 2HE MET 31 -7.878 3.221 4.666 246 3HE MET 31 3HE MET 31 -6.634 2.893 3.432 247 HA PRO 32 HA PRO 32 -7.885 9.850 4.906 248 1HB PRO 32 2HB PRO 32 -9.213 9.029 7.135 249 2HB PRO 32 3HB PRO 32 -10.042 9.664 5.682 250 1HG PRO 32 2HG PRO 32 -9.596 6.765 6.443 251 2HG PRO 32 3HG PRO 32 -11.100 7.560 5.904 252 1HD PRO 32 2HD PRO 32 -9.489 6.154 4.216 253 2HD PRO 32 3HD PRO 32 -10.385 7.593 3.650 254 H GLY 33 H GLY 33 -5.842 9.860 5.511 255 1HA GLY 33 2HA GLY 33 -4.540 9.621 7.573 256 2HA GLY 33 3HA GLY 33 -4.857 7.889 7.564 257 H VAL 34 H VAL 34 -4.375 7.751 4.518 258 HA VAL 34 HA VAL 34 -1.413 7.748 4.686 259 HB VAL 34 HB VAL 34 -3.233 6.815 2.464 260 1HG1 VAL 34 1HG1 VAL 34 -0.209 6.630 2.859 261 2HG1 VAL 34 2HG1 VAL 34 -1.118 5.774 1.600 262 3HG1 VAL 34 3HG1 VAL 34 -1.043 7.531 1.580 263 1HG2 VAL 34 1HG2 VAL 34 -2.398 5.598 4.987 264 2HG2 VAL 34 2HG2 VAL 34 -3.422 4.931 3.715 265 3HG2 VAL 34 3HG2 VAL 34 -1.672 4.722 3.639 266 H THR 35 H THR 35 -0.074 9.105 3.559 267 HA THR 35 HA THR 35 -1.391 11.461 2.260 268 HB THR 35 HB THR 35 0.807 11.291 4.224 269 HG1 THR 35 1HG THR 35 -0.533 12.887 5.176 270 1HG2 THR 35 1HG2 THR 35 1.141 13.751 3.843 271 2HG2 THR 35 2HG2 THR 35 1.756 12.730 2.537 272 3HG2 THR 35 3HG2 THR 35 0.211 13.596 2.332 273 H ASP 36 H ASP 36 1.452 9.172 2.123 274 HA ASP 36 HA ASP 36 1.253 9.619 -0.694 275 1HB ASP 36 2HB ASP 36 3.376 10.954 0.482 276 2HB ASP 36 3HB ASP 36 4.109 9.430 -0.042 277 H ALA 37 H ALA 37 2.547 8.044 -1.927 278 HA ALA 37 HA ALA 37 2.988 5.501 -0.609 279 1HB ALA 37 1HB ALA 37 0.462 5.584 -0.583 280 2HB ALA 37 2HB ALA 37 0.502 5.621 -2.361 281 3HB ALA 37 3HB ALA 37 1.127 4.214 -1.473 282 H ASN 38 H ASN 38 4.059 3.920 -1.840 283 HA ASN 38 HA ASN 38 4.706 4.582 -4.638 284 1HB ASN 38 2HB ASN 38 7.233 4.352 -3.392 285 2HB ASN 38 3HB ASN 38 6.526 5.756 -4.167 286 1HD2 ASN 38 1HD2 ASN 38 5.913 4.208 -0.937 287 2HD2 ASN 38 2HD2 ASN 38 6.295 5.684 -0.052 288 H VAL 39 H VAL 39 4.282 2.558 -5.395 289 HA VAL 39 HA VAL 39 5.079 0.234 -3.852 290 HB VAL 39 HB VAL 39 3.038 0.448 -5.334 291 1HG1 VAL 39 1HG1 VAL 39 4.137 1.403 -7.356 292 2HG1 VAL 39 2HG1 VAL 39 4.981 -0.143 -7.607 293 3HG1 VAL 39 3HG1 VAL 39 3.228 -0.080 -7.690 294 1HG2 VAL 39 1HG2 VAL 39 4.637 -1.785 -4.662 295 2HG2 VAL 39 2HG2 VAL 39 2.925 -1.735 -5.085 296 3HG2 VAL 39 3HG2 VAL 39 4.138 -2.005 -6.351 297 H ASN 40 H ASN 40 7.082 -0.826 -4.065 298 HA ASN 40 HA ASN 40 8.971 0.191 -6.150 299 1HB ASN 40 2HB ASN 40 9.492 0.863 -3.792 300 2HB ASN 40 3HB ASN 40 9.640 -0.852 -3.374 301 1HD2 ASN 40 1HD2 ASN 40 11.857 0.476 -2.847 302 2HD2 ASN 40 2HD2 ASN 40 13.070 0.293 -4.105 303 H LEU 41 H LEU 41 7.349 -1.499 -7.057 304 HA LEU 41 HA LEU 41 7.738 -4.247 -6.492 305 1HB LEU 41 2HB LEU 41 6.080 -2.633 -8.189 306 2HB LEU 41 3HB LEU 41 6.829 -3.822 -9.234 307 HG LEU 41 HG LEU 41 4.583 -4.362 -8.234 308 1HD1 LEU 41 1HD1 LEU 41 5.919 -6.098 -9.287 309 2HD1 LEU 41 2HD1 LEU 41 6.829 -6.364 -7.787 310 3HD1 LEU 41 3HD1 LEU 41 5.098 -6.753 -7.859 311 1HD2 LEU 41 1HD2 LEU 41 5.497 -3.656 -5.805 312 2HD2 LEU 41 2HD2 LEU 41 4.222 -4.867 -6.043 313 3HD2 LEU 41 3HD2 LEU 41 5.886 -5.373 -5.726 314 H ALA 42 H ALA 42 9.645 -2.055 -8.334 315 HA ALA 42 HA ALA 42 11.224 -3.706 -9.944 316 1HB ALA 42 1HB ALA 42 12.088 -1.476 -8.065 317 2HB ALA 42 2HB ALA 42 13.071 -2.158 -9.369 318 3HB ALA 42 3HB ALA 42 11.572 -1.281 -9.762 319 H THR 43 H THR 43 11.124 -3.513 -6.358 320 HA THR 43 HA THR 43 12.926 -5.885 -6.320 321 HB THR 43 HB THR 43 14.144 -3.934 -5.594 322 HG1 THR 43 1HG THR 43 14.847 -4.808 -3.628 323 1HG2 THR 43 1HG2 THR 43 12.006 -3.682 -3.443 324 2HG2 THR 43 2HG2 THR 43 13.585 -2.873 -3.378 325 3HG2 THR 43 3HG2 THR 43 12.452 -2.500 -4.684 326 H GLU 44 H GLU 44 10.034 -5.686 -6.586 327 HA GLU 44 HA GLU 44 8.080 -6.423 -5.778 328 1HB GLU 44 2HB GLU 44 9.986 -8.453 -4.543 329 2HB GLU 44 3HB GLU 44 8.232 -8.647 -4.671 330 1HG GLU 44 2HG GLU 44 8.411 -8.269 -7.167 331 2HG GLU 44 3HG GLU 44 10.168 -8.405 -6.984 332 H THR 45 H THR 45 9.257 -4.273 -3.978 333 HA THR 45 HA THR 45 7.912 -5.029 -1.434 334 HB THR 45 HB THR 45 9.995 -2.874 -1.968 335 HG1 THR 45 1HG THR 45 11.498 -4.398 -1.280 336 1HG2 THR 45 1HG2 THR 45 8.713 -2.662 0.159 337 2HG2 THR 45 2HG2 THR 45 9.144 -4.348 0.553 338 3HG2 THR 45 3HG2 THR 45 10.408 -3.103 0.455 339 H VAL 46 H VAL 46 6.540 -3.374 -0.471 340 HA VAL 46 HA VAL 46 5.783 -1.086 -2.248 341 HB VAL 46 HB VAL 46 3.919 -2.548 -2.232 342 1HG1 VAL 46 1HG1 VAL 46 4.117 -2.641 0.822 343 2HG1 VAL 46 2HG1 VAL 46 2.777 -3.277 -0.145 344 3HG1 VAL 46 3HG1 VAL 46 4.377 -4.001 -0.292 345 1HG2 VAL 46 1HG2 VAL 46 3.423 -0.160 -1.933 346 2HG2 VAL 46 2HG2 VAL 46 2.204 -1.219 -1.190 347 3HG2 VAL 46 3HG2 VAL 46 3.369 -0.380 -0.166 348 H ASN 47 H ASN 47 5.651 0.999 -1.255 349 HA ASN 47 HA ASN 47 6.282 1.078 1.644 350 1HB ASN 47 2HB ASN 47 7.449 2.718 -0.656 351 2HB ASN 47 3HB ASN 47 7.451 3.279 1.019 352 1HD2 ASN 47 1HD2 ASN 47 8.423 1.649 2.660 353 2HD2 ASN 47 2HD2 ASN 47 9.979 1.035 2.132 354 H VAL 48 H VAL 48 4.782 2.429 2.723 355 HA VAL 48 HA VAL 48 3.071 4.185 1.123 356 HB VAL 48 HB VAL 48 1.579 2.571 1.170 357 1HG1 VAL 48 1HG1 VAL 48 1.229 0.763 2.740 358 2HG1 VAL 48 2HG1 VAL 48 2.883 0.732 2.130 359 3HG1 VAL 48 3HG1 VAL 48 2.530 1.392 3.753 360 1HG2 VAL 48 1HG2 VAL 48 -0.027 2.806 2.981 361 2HG2 VAL 48 2HG2 VAL 48 1.232 3.330 4.090 362 3HG2 VAL 48 3HG2 VAL 48 0.731 4.398 2.745 363 H ILE 49 H ILE 49 2.915 6.097 2.029 364 HA ILE 49 HA ILE 49 4.488 6.524 4.458 365 HB ILE 49 HB ILE 49 3.861 8.561 2.290 366 1HG1 ILE 49 2HG1 ILE 49 4.966 6.795 1.101 367 2HG1 ILE 49 3HG1 ILE 49 6.023 8.188 1.293 368 1HG2 ILE 49 1HG2 ILE 49 5.911 9.652 3.194 369 2HG2 ILE 49 2HG2 ILE 49 4.593 9.536 4.363 370 3HG2 ILE 49 3HG2 ILE 49 5.964 8.428 4.484 371 1HD1 ILE 49 1HD1 ILE 49 6.190 5.602 2.892 372 2HD1 ILE 49 2HD1 ILE 49 7.319 6.170 1.652 373 3HD1 ILE 49 3HD1 ILE 49 7.188 7.050 3.175 374 H TYR 50 H TYR 50 2.966 6.674 6.151 375 HA TYR 50 HA TYR 50 0.493 8.329 5.710 376 1HB TYR 50 2HB TYR 50 -0.862 6.632 6.736 377 2HB TYR 50 3HB TYR 50 -0.038 5.946 5.356 378 HD1 TYR 50 HD1 TYR 50 2.008 4.450 5.774 379 HD2 TYR 50 HD2 TYR 50 -0.486 5.825 8.986 380 HE1 TYR 50 HE1 TYR 50 2.531 2.409 7.054 381 HE2 TYR 50 HE2 TYR 50 0.284 3.929 10.379 382 HH TYR 50 HH TYR 50 2.234 1.268 9.037 383 H ASP 51 H ASP 51 -0.689 8.607 7.762 384 HA ASP 51 HA ASP 51 1.215 9.514 9.859 385 1HB ASP 51 2HB ASP 51 -0.405 11.113 9.208 386 2HB ASP 51 3HB ASP 51 -1.731 9.971 9.439 387 HA PRO 52 HA PRO 52 0.030 5.594 11.807 388 1HB PRO 52 2HB PRO 52 2.051 5.207 13.535 389 2HB PRO 52 3HB PRO 52 2.277 5.054 11.776 390 1HG PRO 52 2HG PRO 52 2.795 7.529 13.493 391 2HG PRO 52 3HG PRO 52 3.937 6.749 12.365 392 1HD PRO 52 2HD PRO 52 2.405 8.885 11.636 393 2HD PRO 52 3HD PRO 52 2.758 7.557 10.484 394 H ALA 53 H ALA 53 -0.434 8.730 12.935 395 HA ALA 53 HA ALA 53 -1.276 7.955 15.649 396 1HB ALA 53 1HB ALA 53 -2.055 10.244 15.733 397 2HB ALA 53 2HB ALA 53 -0.404 10.262 15.064 398 3HB ALA 53 3HB ALA 53 -1.815 10.441 13.988 399 H GLU 54 H GLU 54 -2.328 7.994 12.285 400 HA GLU 54 HA GLU 54 -5.154 7.930 13.102 401 1HB GLU 54 2HB GLU 54 -3.803 9.615 11.288 402 2HB GLU 54 3HB GLU 54 -4.675 8.486 10.248 403 1HG GLU 54 2HG GLU 54 -5.998 10.006 12.538 404 2HG GLU 54 3HG GLU 54 -5.869 10.628 10.892 405 H THR 55 H THR 55 -2.997 6.800 10.512 406 HA THR 55 HA THR 55 -4.338 4.212 10.489 407 HB THR 55 HB THR 55 -2.461 3.928 8.441 408 HG1 THR 55 1HG THR 55 -3.624 6.465 8.339 409 1HG2 THR 55 1HG2 THR 55 -4.794 3.233 8.499 410 2HG2 THR 55 2HG2 THR 55 -5.368 4.936 8.439 411 3HG2 THR 55 3HG2 THR 55 -4.482 4.226 7.055 412 H GLY 56 H GLY 56 -2.752 2.523 9.784 413 1HA GLY 56 2HA GLY 56 -0.420 2.021 11.315 414 2HA GLY 56 3HA GLY 56 -1.857 1.197 11.979 415 H THR 57 H THR 57 -1.496 -0.853 11.128 416 HA THR 57 HA THR 57 -0.917 -1.406 8.311 417 HB THR 57 HB THR 57 -1.124 -3.755 9.285 418 HG1 THR 57 1HG THR 57 -1.376 -3.856 11.527 419 1HG2 THR 57 1HG2 THR 57 1.075 -2.550 9.173 420 2HG2 THR 57 2HG2 THR 57 0.773 -1.803 10.749 421 3HG2 THR 57 3HG2 THR 57 0.981 -3.559 10.627 422 H ALA 58 H ALA 58 -3.446 -1.436 10.736 423 HA ALA 58 HA ALA 58 -5.273 -3.030 9.725 424 1HB ALA 58 1HB ALA 58 -5.883 -0.414 11.158 425 2HB ALA 58 2HB ALA 58 -6.989 -1.798 11.037 426 3HB ALA 58 3HB ALA 58 -5.465 -1.958 11.929 427 H ALA 59 H ALA 59 -5.332 0.406 8.900 428 HA ALA 59 HA ALA 59 -7.856 -0.082 7.434 429 1HB ALA 59 1HB ALA 59 -8.000 2.214 7.010 430 2HB ALA 59 2HB ALA 59 -7.330 2.092 8.647 431 3HB ALA 59 3HB ALA 59 -6.274 2.464 7.265 432 H ILE 60 H ILE 60 -4.439 0.255 6.764 433 HA ILE 60 HA ILE 60 -4.506 0.361 3.934 434 HB ILE 60 HB ILE 60 -2.487 -0.323 6.078 435 1HG1 ILE 60 2HG1 ILE 60 -1.186 1.295 4.652 436 2HG1 ILE 60 3HG1 ILE 60 -2.602 1.357 3.581 437 1HG2 ILE 60 1HG2 ILE 60 -2.036 -1.101 3.176 438 2HG2 ILE 60 2HG2 ILE 60 -0.789 -0.958 4.437 439 3HG2 ILE 60 3HG2 ILE 60 -2.030 -2.195 4.587 440 1HD1 ILE 60 1HD1 ILE 60 -2.748 2.006 6.570 441 2HD1 ILE 60 2HD1 ILE 60 -2.290 3.228 5.385 442 3HD1 ILE 60 3HD1 ILE 60 -3.894 2.482 5.294 443 H GLN 61 H GLN 61 -4.314 -2.455 6.162 444 HA GLN 61 HA GLN 61 -4.242 -4.317 4.055 445 1HB GLN 61 2HB GLN 61 -3.797 -4.476 6.597 446 2HB GLN 61 3HB GLN 61 -5.474 -5.006 6.725 447 1HG GLN 61 2HG GLN 61 -5.000 -7.053 5.728 448 2HG GLN 61 3HG GLN 61 -3.792 -6.384 4.630 449 1HE2 GLN 61 1HE2 GLN 61 -1.781 -5.380 5.875 450 2HE2 GLN 61 2HE2 GLN 61 -1.112 -6.465 7.084 451 H GLU 62 H GLU 62 -6.977 -2.978 5.887 452 HA GLU 62 HA GLU 62 -9.161 -4.227 4.685 453 1HB GLU 62 2HB GLU 62 -8.798 -2.195 6.493 454 2HB GLU 62 3HB GLU 62 -9.384 -1.260 5.120 455 1HG GLU 62 2HG GLU 62 -10.778 -3.684 6.335 456 2HG GLU 62 3HG GLU 62 -11.134 -2.004 6.735 457 H LYS 63 H LYS 63 -7.584 -1.166 3.553 458 HA LYS 63 HA LYS 63 -9.137 -1.103 1.177 459 1HB LYS 63 2HB LYS 63 -6.863 0.427 2.381 460 2HB LYS 63 3HB LYS 63 -7.038 0.491 0.644 461 1HG LYS 63 2HG LYS 63 -9.157 1.258 2.667 462 2HG LYS 63 3HG LYS 63 -8.167 2.354 1.678 463 1HD LYS 63 2HD LYS 63 -9.767 2.355 0.105 464 2HD LYS 63 3HD LYS 63 -9.296 0.709 -0.259 465 1HE LYS 63 2HE LYS 63 -11.667 0.676 0.048 466 2HE LYS 63 3HE LYS 63 -11.007 -0.093 1.497 467 1HZ LYS 63 1HZ LYS 63 -11.962 2.674 1.310 468 2HZ LYS 63 2HZ LYS 63 -12.689 1.409 2.080 469 3HZ LYS 63 3HZ LYS 63 -11.270 1.993 2.646 470 H ILE 64 H ILE 64 -5.972 -2.572 1.845 471 HA ILE 64 HA ILE 64 -4.999 -2.950 -0.740 472 HB ILE 64 HB ILE 64 -4.666 -4.083 1.933 473 1HG1 ILE 64 2HG1 ILE 64 -3.302 -2.276 0.897 474 2HG1 ILE 64 3HG1 ILE 64 -2.420 -3.643 1.568 475 1HG2 ILE 64 1HG2 ILE 64 -4.028 -5.827 -0.420 476 2HG2 ILE 64 2HG2 ILE 64 -3.246 -5.949 1.177 477 3HG2 ILE 64 3HG2 ILE 64 -4.982 -6.204 1.039 478 1HD1 ILE 64 1HD1 ILE 64 -2.949 -3.181 -1.398 479 2HD1 ILE 64 2HD1 ILE 64 -1.413 -2.996 -0.529 480 3HD1 ILE 64 3HD1 ILE 64 -2.138 -4.600 -0.718 481 H GLU 65 H GLU 65 -7.134 -5.027 1.342 482 HA GLU 65 HA GLU 65 -7.852 -6.976 -0.592 483 1HB GLU 65 2HB GLU 65 -9.275 -5.901 1.882 484 2HB GLU 65 3HB GLU 65 -9.933 -7.209 0.898 485 1HG GLU 65 2HG GLU 65 -7.136 -7.383 2.023 486 2HG GLU 65 3HG GLU 65 -8.562 -7.871 2.950 487 H LYS 66 H LYS 66 -9.653 -4.016 0.412 488 HA LYS 66 HA LYS 66 -11.728 -4.397 -1.422 489 1HB LYS 66 2HB LYS 66 -10.926 -2.355 0.438 490 2HB LYS 66 3HB LYS 66 -11.370 -1.545 -1.064 491 1HG LYS 66 2HG LYS 66 -13.075 -3.630 0.368 492 2HG LYS 66 3HG LYS 66 -13.232 -1.890 0.613 493 1HD LYS 66 2HD LYS 66 -13.745 -1.555 -1.790 494 2HD LYS 66 3HD LYS 66 -13.580 -3.292 -2.090 495 1HE LYS 66 2HE LYS 66 -15.432 -3.753 -0.482 496 2HE LYS 66 3HE LYS 66 -15.625 -2.014 -0.209 497 1HZ LYS 66 1HZ LYS 66 -16.005 -3.399 -2.785 498 2HZ LYS 66 2HZ LYS 66 -17.200 -2.852 -1.798 499 3HZ LYS 66 3HZ LYS 66 -16.194 -1.782 -2.536 500 H LEU 67 H LEU 67 -8.624 -2.855 -2.008 501 HA LEU 67 HA LEU 67 -9.229 -1.828 -4.644 502 1HB LEU 67 2HB LEU 67 -6.667 -2.356 -3.122 503 2HB LEU 67 3HB LEU 67 -6.679 -1.686 -4.752 504 HG LEU 67 HG LEU 67 -8.331 -0.370 -2.568 505 1HD1 LEU 67 1HD1 LEU 67 -6.020 -0.541 -1.695 506 2HD1 LEU 67 2HD1 LEU 67 -5.413 0.184 -3.188 507 3HD1 LEU 67 3HD1 LEU 67 -6.454 1.129 -2.102 508 1HD2 LEU 67 1HD2 LEU 67 -6.980 0.710 -5.086 509 2HD2 LEU 67 2HD2 LEU 67 -8.711 0.350 -4.929 510 3HD2 LEU 67 3HD2 LEU 67 -7.984 1.636 -3.955 511 H GLY 68 H GLY 68 -8.620 -4.999 -3.408 512 1HA GLY 68 2HA GLY 68 -9.012 -6.923 -4.614 513 2HA GLY 68 3HA GLY 68 -8.685 -6.096 -6.143 514 H TYR 69 H TYR 69 -6.629 -6.116 -3.149 515 HA TYR 69 HA TYR 69 -4.568 -7.709 -4.603 516 1HB TYR 69 2HB TYR 69 -4.586 -4.867 -4.001 517 2HB TYR 69 3HB TYR 69 -3.360 -5.633 -3.018 518 HD1 TYR 69 HD1 TYR 69 -1.292 -6.325 -3.980 519 HD2 TYR 69 HD2 TYR 69 -4.657 -5.427 -6.520 520 HE1 TYR 69 HE1 TYR 69 0.198 -6.070 -5.881 521 HE2 TYR 69 HE2 TYR 69 -3.181 -5.332 -8.456 522 HH TYR 69 HH TYR 69 0.366 -5.872 -8.202 523 H HIS 70 H HIS 70 -2.679 -8.124 -2.999 524 HA HIS 70 HA HIS 70 -3.587 -8.219 -0.223 525 1HB HIS 70 2HB HIS 70 -3.956 -10.506 -1.544 526 2HB HIS 70 3HB HIS 70 -2.232 -10.712 -1.214 527 HD1 HIS 70 1HD HIS 70 -5.535 -9.887 0.718 528 HD2 HIS 70 2HD HIS 70 -1.727 -11.647 1.241 529 HE1 HIS 70 1HE HIS 70 -5.465 -10.785 3.082 530 H VAL 71 H VAL 71 -1.981 -7.874 1.207 531 HA VAL 71 HA VAL 71 0.750 -7.328 0.164 532 HB VAL 71 HB VAL 71 -0.644 -5.336 0.899 533 1HG1 VAL 71 1HG1 VAL 71 -1.742 -6.426 2.899 534 2HG1 VAL 71 2HG1 VAL 71 -0.169 -6.381 3.722 535 3HG1 VAL 71 3HG1 VAL 71 -0.962 -4.873 3.244 536 1HG2 VAL 71 1HG2 VAL 71 1.766 -5.212 0.748 537 2HG2 VAL 71 2HG2 VAL 71 1.179 -4.261 2.118 538 3HG2 VAL 71 3HG2 VAL 71 1.941 -5.839 2.406 539 H VAL 72 H VAL 72 2.437 -8.166 1.485 540 HA VAL 72 HA VAL 72 1.578 -10.168 3.526 541 HB VAL 72 HB VAL 72 4.006 -10.328 1.851 542 1HG1 VAL 72 1HG1 VAL 72 4.191 -11.513 3.985 543 2HG1 VAL 72 2HG1 VAL 72 2.649 -12.345 3.675 544 3HG1 VAL 72 3HG1 VAL 72 4.067 -12.675 2.659 545 1HG2 VAL 72 1HG2 VAL 72 2.816 -12.203 0.648 546 2HG2 VAL 72 2HG2 VAL 72 1.325 -11.745 1.494 547 3HG2 VAL 72 3HG2 VAL 72 2.084 -10.625 0.340 548 H ILE 73 H ILE 73 2.468 -10.013 5.401 549 HA ILE 73 HA ILE 73 4.088 -7.599 6.039 550 HB ILE 73 HB ILE 73 2.351 -9.292 7.846 551 1HG1 ILE 73 2HG1 ILE 73 0.959 -8.071 6.256 552 2HG1 ILE 73 3HG1 ILE 73 0.843 -7.395 7.875 553 1HG2 ILE 73 1HG2 ILE 73 4.114 -8.279 9.168 554 2HG2 ILE 73 2HG2 ILE 73 3.928 -6.730 8.344 555 3HG2 ILE 73 3HG2 ILE 73 2.648 -7.334 9.418 556 1HD1 ILE 73 1HD1 ILE 73 2.427 -6.186 5.571 557 2HD1 ILE 73 2HD1 ILE 73 0.893 -5.610 6.225 558 3HD1 ILE 73 3HD1 ILE 73 2.346 -5.524 7.225 559 H GLU 74 H GLU 74 5.956 -8.802 5.134 560 HA GLU 74 HA GLU 74 6.819 -11.079 6.455 561 1HB GLU 74 2HB GLU 74 7.514 -9.936 4.112 562 2HB GLU 74 3HB GLU 74 8.963 -9.626 5.098 563 1HG GLU 74 2HG GLU 74 8.913 -12.115 5.685 564 2HG GLU 74 3HG GLU 74 7.628 -12.294 4.473 565 H GLY 75 H GLY 75 6.830 -8.048 7.510 566 1HA GLY 75 2HA GLY 75 7.625 -7.029 9.481 567 2HA GLY 75 3HA GLY 75 8.565 -8.488 9.840 568 H ARG 76 H ARG 76 8.530 -5.373 8.039 569 HA ARG 76 HA ARG 76 11.391 -5.281 8.038 570 1HB ARG 76 2HB ARG 76 10.496 -6.396 5.764 571 2HB ARG 76 3HB ARG 76 9.941 -4.758 5.434 572 1HG ARG 76 2HG ARG 76 12.005 -4.484 4.544 573 2HG ARG 76 3HG ARG 76 12.507 -4.223 6.218 574 1HD ARG 76 2HD ARG 76 12.763 -6.832 6.315 575 2HD ARG 76 3HD ARG 76 12.763 -6.781 4.555 576 HE ARG 76 HE ARG 76 14.891 -6.193 6.357 577 1HH1 ARG 76 2HH2 ARG 76 13.561 -4.991 3.342 578 2HH1 ARG 76 1HH2 ARG 76 15.019 -4.225 2.786 579 1HH2 ARG 76 2HH1 ARG 76 16.873 -5.245 5.665 580 2HH2 ARG 76 1HH1 ARG 76 16.968 -4.405 4.150 Start of MODEL 27 1 1H MET 1 H1 MET 1 -1.016 19.129 18.349 2 2H MET 1 H2 MET 1 -0.644 18.773 19.917 3 3H MET 1 H3 MET 1 0.552 19.156 18.845 4 HA MET 1 HA MET 1 0.549 16.835 19.273 5 1HB MET 1 2HB MET 1 -2.312 17.010 18.237 6 2HB MET 1 3HB MET 1 -1.365 15.515 18.264 7 1HG MET 1 2HG MET 1 -1.017 15.759 20.704 8 2HG MET 1 3HG MET 1 -2.067 17.189 20.706 9 1HE MET 1 1HE MET 1 -3.439 16.053 22.678 10 2HE MET 1 2HE MET 1 -4.140 14.422 22.557 11 3HE MET 1 3HE MET 1 -2.374 14.625 22.594 12 H LEU 2 H LEU 2 -1.298 17.876 16.352 13 HA LEU 2 HA LEU 2 -0.815 17.854 14.179 14 1HB LEU 2 2HB LEU 2 1.995 18.149 15.186 15 2HB LEU 2 3HB LEU 2 1.849 17.302 13.668 16 HG LEU 2 HG LEU 2 0.400 19.233 12.833 17 1HD1 LEU 2 1HD1 LEU 2 1.591 20.573 15.312 18 2HD1 LEU 2 2HD1 LEU 2 0.700 21.386 14.011 19 3HD1 LEU 2 3HD1 LEU 2 -0.135 20.228 15.061 20 1HD2 LEU 2 1HD2 LEU 2 3.304 19.737 13.599 21 2HD2 LEU 2 2HD2 LEU 2 2.724 18.893 12.148 22 3HD2 LEU 2 3HD2 LEU 2 2.388 20.619 12.357 23 H SER 3 H SER 3 0.433 16.239 12.517 24 HA SER 3 HA SER 3 -0.149 13.463 13.377 25 1HB SER 3 2HB SER 3 -0.376 14.707 10.598 26 2HB SER 3 3HB SER 3 -0.846 13.071 11.073 27 HG SER 3 HG SER 3 -2.488 13.962 12.345 28 H GLU 4 H GLU 4 1.502 12.036 12.698 29 HA GLU 4 HA GLU 4 4.130 13.249 12.018 30 1HB GLU 4 2HB GLU 4 3.221 10.889 13.577 31 2HB GLU 4 3HB GLU 4 4.696 10.716 12.664 32 1HG GLU 4 2HG GLU 4 5.413 12.879 13.767 33 2HG GLU 4 3HG GLU 4 4.059 12.620 14.857 34 H GLN 5 H GLN 5 5.382 11.321 10.696 35 HA GLN 5 HA GLN 5 3.550 9.930 8.866 36 1HB GLN 5 2HB GLN 5 6.115 11.397 8.178 37 2HB GLN 5 3HB GLN 5 5.281 10.350 7.042 38 1HG GLN 5 2HG GLN 5 4.014 12.853 8.309 39 2HG GLN 5 3HG GLN 5 4.959 12.861 6.851 40 1HE2 GLN 5 1HE2 GLN 5 3.339 9.880 6.774 41 2HE2 GLN 5 2HE2 GLN 5 1.971 10.401 5.825 42 H LYS 6 H LYS 6 4.338 7.820 8.417 43 HA LYS 6 HA LYS 6 7.191 7.379 8.784 44 1HB LYS 6 2HB LYS 6 5.146 5.536 10.104 45 2HB LYS 6 3HB LYS 6 6.836 5.112 9.776 46 1HG LYS 6 2HG LYS 6 7.524 7.191 11.073 47 2HG LYS 6 3HG LYS 6 5.844 7.320 11.618 48 1HD LYS 6 2HD LYS 6 6.035 4.964 12.520 49 2HD LYS 6 3HD LYS 6 7.746 4.970 12.021 50 1HE LYS 6 2HE LYS 6 8.074 7.059 13.449 51 2HE LYS 6 3HE LYS 6 6.418 6.865 14.037 52 1HZ LYS 6 1HZ LYS 6 7.079 4.701 14.903 53 2HZ LYS 6 2HZ LYS 6 8.626 4.944 14.382 54 3HZ LYS 6 3HZ LYS 6 7.983 5.919 15.542 55 H GLU 7 H GLU 7 7.932 5.568 7.653 56 HA GLU 7 HA GLU 7 6.500 5.152 5.117 57 1HB GLU 7 2HB GLU 7 9.482 4.807 5.544 58 2HB GLU 7 3HB GLU 7 8.560 5.228 4.106 59 1HG GLU 7 2HG GLU 7 9.713 7.160 4.675 60 2HG GLU 7 3HG GLU 7 8.109 7.494 5.347 61 H ILE 8 H ILE 8 5.465 3.111 5.456 62 HA ILE 8 HA ILE 8 6.883 1.077 6.996 63 HB ILE 8 HB ILE 8 4.412 0.794 5.380 64 1HG1 ILE 8 2HG1 ILE 8 3.919 2.774 6.713 65 2HG1 ILE 8 3HG1 ILE 8 2.974 1.345 7.124 66 1HG2 ILE 8 1HG2 ILE 8 3.900 -0.829 7.235 67 2HG2 ILE 8 2HG2 ILE 8 5.277 -1.233 6.191 68 3HG2 ILE 8 3HG2 ILE 8 5.575 -0.516 7.791 69 1HD1 ILE 8 1HD1 ILE 8 4.311 0.874 9.029 70 2HD1 ILE 8 2HD1 ILE 8 5.508 2.106 8.554 71 3HD1 ILE 8 3HD1 ILE 8 3.884 2.602 9.112 72 H ALA 9 H ALA 9 7.347 -1.056 5.907 73 HA ALA 9 HA ALA 9 7.779 -0.931 2.976 74 1HB ALA 9 1HB ALA 9 9.813 -1.941 5.019 75 2HB ALA 9 2HB ALA 9 9.957 -2.026 3.251 76 3HB ALA 9 3HB ALA 9 9.973 -0.450 4.071 77 H MET 10 H MET 10 6.693 -2.681 2.139 78 HA MET 10 HA MET 10 6.504 -5.190 3.727 79 1HB MET 10 2HB MET 10 4.160 -3.560 2.670 80 2HB MET 10 3HB MET 10 4.046 -5.276 3.070 81 1HG MET 10 2HG MET 10 4.696 -4.865 5.367 82 2HG MET 10 3HG MET 10 4.874 -3.140 5.052 83 1HE MET 10 1HE MET 10 1.263 -1.868 4.653 84 2HE MET 10 2HE MET 10 2.985 -1.445 4.724 85 3HE MET 10 3HE MET 10 2.339 -2.329 3.319 86 H GLN 11 H GLN 11 5.445 -6.898 2.345 87 HA GLN 11 HA GLN 11 6.684 -6.859 -0.355 88 1HB GLN 11 2HB GLN 11 5.928 -8.990 1.693 89 2HB GLN 11 3HB GLN 11 6.020 -9.432 -0.006 90 1HG GLN 11 2HG GLN 11 8.258 -8.247 1.701 91 2HG GLN 11 3HG GLN 11 8.140 -9.918 1.130 92 1HE2 GLN 11 1HE2 GLN 11 7.406 -9.724 -1.498 93 2HE2 GLN 11 2HE2 GLN 11 8.335 -8.524 -2.381 94 H VAL 12 H VAL 12 5.469 -7.512 -2.169 95 HA VAL 12 HA VAL 12 2.530 -7.044 -1.886 96 HB VAL 12 HB VAL 12 4.364 -6.932 -4.316 97 1HG1 VAL 12 1HG1 VAL 12 1.388 -6.328 -3.999 98 2HG1 VAL 12 2HG1 VAL 12 2.359 -5.885 -5.414 99 3HG1 VAL 12 3HG1 VAL 12 2.118 -7.587 -5.021 100 1HG2 VAL 12 1HG2 VAL 12 3.021 -4.763 -2.646 101 2HG2 VAL 12 2HG2 VAL 12 4.771 -5.043 -2.812 102 3HG2 VAL 12 3HG2 VAL 12 3.831 -4.474 -4.193 103 H SER 13 H SER 13 1.025 -8.598 -2.629 104 HA SER 13 HA SER 13 1.989 -10.868 -4.187 105 1HB SER 13 2HB SER 13 2.144 -11.658 -1.842 106 2HB SER 13 3HB SER 13 0.433 -11.236 -1.591 107 HG SER 13 HG SER 13 0.801 -13.471 -2.169 108 H GLY 14 H GLY 14 -0.146 -12.213 -4.570 109 1HA GLY 14 2HA GLY 14 -1.967 -12.240 -6.029 110 2HA GLY 14 3HA GLY 14 -2.666 -11.093 -4.871 111 H MET 15 H MET 15 -0.196 -11.104 -7.504 112 HA MET 15 HA MET 15 -1.249 -8.499 -8.479 113 1HB MET 15 2HB MET 15 0.963 -7.619 -8.616 114 2HB MET 15 3HB MET 15 0.814 -8.342 -7.007 115 1HG MET 15 2HG MET 15 2.888 -9.104 -7.629 116 2HG MET 15 3HG MET 15 1.894 -10.452 -8.181 117 1HE MET 15 1HE MET 15 4.543 -10.536 -10.961 118 2HE MET 15 2HE MET 15 4.727 -10.415 -9.193 119 3HE MET 15 3HE MET 15 3.482 -11.484 -9.894 120 H THR 16 H THR 16 -1.030 -8.111 -10.702 121 HA THR 16 HA THR 16 -0.380 -10.438 -12.447 122 HB THR 16 HB THR 16 -1.294 -8.598 -14.141 123 HG1 THR 16 1HG THR 16 -2.915 -7.891 -11.990 124 1HG2 THR 16 1HG2 THR 16 -2.369 -10.761 -13.775 125 2HG2 THR 16 2HG2 THR 16 -3.101 -10.185 -12.262 126 3HG2 THR 16 3HG2 THR 16 -3.586 -9.475 -13.823 127 H CYS 17 H CYS 17 0.189 -6.862 -12.184 128 HA CYS 17 HA CYS 17 2.983 -7.278 -13.034 129 1HB CYS 17 2HB CYS 17 2.748 -5.784 -14.938 130 2HB CYS 17 3HB CYS 17 1.587 -7.104 -15.114 131 H ALA 18 H ALA 18 4.187 -5.272 -13.077 132 HA ALA 18 HA ALA 18 3.833 -3.687 -10.681 133 1HB ALA 18 1HB ALA 18 5.965 -2.681 -11.381 134 2HB ALA 18 2HB ALA 18 6.046 -4.450 -11.500 135 3HB ALA 18 3HB ALA 18 5.840 -3.472 -12.965 136 H ALA 19 H ALA 19 1.585 -3.277 -12.126 137 HA ALA 19 HA ALA 19 1.722 -0.373 -12.652 138 1HB ALA 19 1HB ALA 19 0.452 -0.476 -14.704 139 2HB ALA 19 2HB ALA 19 1.921 -1.447 -14.908 140 3HB ALA 19 3HB ALA 19 0.358 -2.244 -14.636 141 H CYS 20 H CYS 20 -0.454 -3.299 -12.563 142 HA CYS 20 HA CYS 20 -2.573 -1.845 -11.256 143 1HB CYS 20 2HB CYS 20 -1.917 -4.822 -10.977 144 2HB CYS 20 3HB CYS 20 -3.478 -4.031 -10.711 145 H ALA 21 H ALA 21 0.331 -3.526 -10.114 146 HA ALA 21 HA ALA 21 -0.098 -3.183 -7.359 147 1HB ALA 21 1HB ALA 21 2.587 -3.006 -8.753 148 2HB ALA 21 2HB ALA 21 2.225 -3.605 -7.112 149 3HB ALA 21 3HB ALA 21 1.707 -4.531 -8.522 150 H ALA 22 H ALA 22 0.493 -0.658 -9.733 151 HA ALA 22 HA ALA 22 1.408 1.330 -7.770 152 1HB ALA 22 1HB ALA 22 1.173 2.903 -9.576 153 2HB ALA 22 2HB ALA 22 2.014 1.470 -10.207 154 3HB ALA 22 3HB ALA 22 0.293 1.736 -10.573 155 H ARG 23 H ARG 23 -1.535 0.441 -9.589 156 HA ARG 23 HA ARG 23 -3.199 2.538 -8.744 157 1HB ARG 23 2HB ARG 23 -3.713 -0.267 -9.733 158 2HB ARG 23 3HB ARG 23 -5.055 0.677 -9.080 159 1HG ARG 23 2HG ARG 23 -4.828 2.408 -10.640 160 2HG ARG 23 3HG ARG 23 -3.225 1.891 -11.173 161 1HD ARG 23 2HD ARG 23 -5.519 -0.032 -11.479 162 2HD ARG 23 3HD ARG 23 -5.471 1.360 -12.573 163 HE ARG 23 HE ARG 23 -2.965 0.568 -12.877 164 1HH1 ARG 23 2HH2 ARG 23 -5.871 -1.493 -12.879 165 2HH1 ARG 23 1HH2 ARG 23 -5.049 -2.803 -13.682 166 1HH2 ARG 23 2HH1 ARG 23 -2.068 -1.037 -14.272 167 2HH2 ARG 23 1HH1 ARG 23 -2.814 -2.609 -14.181 168 H ILE 24 H ILE 24 -2.585 -0.596 -7.061 169 HA ILE 24 HA ILE 24 -4.451 -0.070 -5.018 170 HB ILE 24 HB ILE 24 -3.446 -1.653 -3.629 171 1HG1 ILE 24 2HG1 ILE 24 -1.079 -1.267 -5.400 172 2HG1 ILE 24 3HG1 ILE 24 -1.172 -1.157 -3.629 173 1HG2 ILE 24 1HG2 ILE 24 -3.128 -2.634 -6.494 174 2HG2 ILE 24 2HG2 ILE 24 -3.664 -3.499 -5.038 175 3HG2 ILE 24 3HG2 ILE 24 -4.709 -2.281 -5.755 176 1HD1 ILE 24 1HD1 ILE 24 -1.212 -3.664 -5.317 177 2HD1 ILE 24 2HD1 ILE 24 0.046 -3.155 -4.188 178 3HD1 ILE 24 3HD1 ILE 24 -1.544 -3.651 -3.564 179 H GLU 25 H GLU 25 -0.959 0.746 -4.997 180 HA GLU 25 HA GLU 25 -0.943 2.060 -2.498 181 1HB GLU 25 2HB GLU 25 0.754 2.248 -5.016 182 2HB GLU 25 3HB GLU 25 1.055 3.332 -3.653 183 1HG GLU 25 2HG GLU 25 0.926 0.319 -3.274 184 2HG GLU 25 3HG GLU 25 2.411 1.187 -3.688 185 H LYS 26 H LYS 26 -1.686 3.300 -5.745 186 HA LYS 26 HA LYS 26 -1.724 6.075 -4.774 187 1HB LYS 26 2HB LYS 26 -2.629 5.009 -7.452 188 2HB LYS 26 3HB LYS 26 -2.370 6.704 -7.013 189 1HG LYS 26 2HG LYS 26 -0.247 4.521 -7.166 190 2HG LYS 26 3HG LYS 26 -0.481 5.853 -8.292 191 1HD LYS 26 2HD LYS 26 0.130 7.465 -6.493 192 2HD LYS 26 3HD LYS 26 0.377 6.109 -5.365 193 1HE LYS 26 2HE LYS 26 2.118 5.154 -6.819 194 2HE LYS 26 3HE LYS 26 1.920 6.492 -7.966 195 1HZ LYS 26 1HZ LYS 26 3.778 6.837 -6.498 196 2HZ LYS 26 2HZ LYS 26 2.648 7.991 -6.203 197 3HZ LYS 26 3HZ LYS 26 2.844 6.728 -5.164 198 H GLY 27 H GLY 27 -4.207 3.629 -5.554 199 1HA GLY 27 2HA GLY 27 -6.491 5.244 -4.920 200 2HA GLY 27 3HA GLY 27 -6.365 3.477 -4.793 201 H LEU 28 H LEU 28 -4.266 3.193 -2.977 202 HA LEU 28 HA LEU 28 -5.666 3.534 -0.518 203 1HB LEU 28 2HB LEU 28 -4.210 1.698 -0.954 204 2HB LEU 28 3HB LEU 28 -2.802 2.741 -1.133 205 HG LEU 28 HG LEU 28 -3.134 1.366 1.000 206 1HD1 LEU 28 1HD1 LEU 28 -1.338 2.875 0.813 207 2HD1 LEU 28 2HD1 LEU 28 -2.390 4.285 0.957 208 3HD1 LEU 28 3HD1 LEU 28 -2.111 3.262 2.365 209 1HD2 LEU 28 1HD2 LEU 28 -4.404 2.399 2.821 210 2HD2 LEU 28 2HD2 LEU 28 -4.969 3.671 1.782 211 3HD2 LEU 28 3HD2 LEU 28 -5.476 1.998 1.472 212 H LYS 29 H LYS 29 -3.059 5.390 -2.074 213 HA LYS 29 HA LYS 29 -2.480 7.260 -0.121 214 1HB LYS 29 2HB LYS 29 -1.686 6.905 -2.656 215 2HB LYS 29 3HB LYS 29 -2.865 8.196 -2.952 216 1HG LYS 29 2HG LYS 29 -1.553 9.371 -0.947 217 2HG LYS 29 3HG LYS 29 -0.363 8.118 -1.325 218 1HD LYS 29 2HD LYS 29 0.399 9.712 -2.889 219 2HD LYS 29 3HD LYS 29 -0.863 8.988 -3.861 220 1HE LYS 29 2HE LYS 29 -1.272 11.312 -4.015 221 2HE LYS 29 3HE LYS 29 -2.464 10.760 -2.822 222 1HZ LYS 29 1HZ LYS 29 -0.914 11.518 -1.094 223 2HZ LYS 29 2HZ LYS 29 0.182 11.953 -2.180 224 3HZ LYS 29 3HZ LYS 29 -1.267 12.769 -2.098 225 H ARG 30 H ARG 30 -5.481 6.941 -1.899 226 HA ARG 30 HA ARG 30 -6.373 9.697 -1.397 227 1HB ARG 30 2HB ARG 30 -7.041 7.476 -3.154 228 2HB ARG 30 3HB ARG 30 -8.491 7.973 -2.318 229 1HG ARG 30 2HG ARG 30 -6.719 10.098 -3.564 230 2HG ARG 30 3HG ARG 30 -7.570 8.987 -4.638 231 1HD ARG 30 2HD ARG 30 -9.706 9.497 -3.580 232 2HD ARG 30 3HD ARG 30 -8.925 10.693 -2.515 233 HE ARG 30 HE ARG 30 -8.134 11.520 -4.986 234 1HH1 ARG 30 2HH2 ARG 30 -11.317 10.826 -3.639 235 2HH1 ARG 30 1HH2 ARG 30 -12.198 11.795 -4.778 236 1HH2 ARG 30 2HH1 ARG 30 -9.259 12.854 -6.499 237 2HH2 ARG 30 1HH1 ARG 30 -10.981 13.012 -6.421 238 H MET 31 H MET 31 -6.036 7.080 0.650 239 HA MET 31 HA MET 31 -8.679 7.296 1.915 240 1HB MET 31 2HB MET 31 -6.280 5.562 2.592 241 2HB MET 31 3HB MET 31 -7.917 5.340 3.200 242 1HG MET 31 2HG MET 31 -7.167 5.161 0.245 243 2HG MET 31 3HG MET 31 -7.278 3.804 1.342 244 1HE MET 31 1HE MET 31 -8.716 4.276 -1.563 245 2HE MET 31 2HE MET 31 -8.603 2.783 -0.608 246 3HE MET 31 3HE MET 31 -10.190 3.364 -1.184 247 HA PRO 32 HA PRO 32 -7.429 10.194 4.930 248 1HB PRO 32 2HB PRO 32 -8.650 9.322 7.275 249 2HB PRO 32 3HB PRO 32 -9.487 10.129 5.919 250 1HG PRO 32 2HG PRO 32 -9.245 7.157 6.433 251 2HG PRO 32 3HG PRO 32 -10.724 8.083 6.040 252 1HD PRO 32 2HD PRO 32 -9.411 6.740 4.126 253 2HD PRO 32 3HD PRO 32 -10.011 8.383 3.769 254 H GLY 33 H GLY 33 -5.758 10.601 6.349 255 1HA GLY 33 2HA GLY 33 -4.100 10.183 7.904 256 2HA GLY 33 3HA GLY 33 -4.516 8.471 7.925 257 H VAL 34 H VAL 34 -4.331 8.414 4.812 258 HA VAL 34 HA VAL 34 -1.439 7.926 4.785 259 HB VAL 34 HB VAL 34 -3.407 7.593 2.500 260 1HG1 VAL 34 1HG1 VAL 34 -0.554 6.614 3.042 261 2HG1 VAL 34 2HG1 VAL 34 -1.552 6.073 1.697 262 3HG1 VAL 34 3HG1 VAL 34 -1.059 7.751 1.783 263 1HG2 VAL 34 1HG2 VAL 34 -4.114 6.158 4.369 264 2HG2 VAL 34 2HG2 VAL 34 -3.347 5.180 3.118 265 3HG2 VAL 34 3HG2 VAL 34 -2.445 5.592 4.596 266 H THR 35 H THR 35 0.066 9.137 3.661 267 HA THR 35 HA THR 35 -0.904 11.772 2.631 268 HB THR 35 HB THR 35 1.676 10.966 3.855 269 HG1 THR 35 1HG THR 35 0.821 12.555 5.382 270 1HG2 THR 35 1HG2 THR 35 0.798 13.623 2.664 271 2HG2 THR 35 2HG2 THR 35 2.214 13.397 3.714 272 3HG2 THR 35 3HG2 THR 35 2.163 12.612 2.130 273 H ASP 36 H ASP 36 1.722 9.266 2.005 274 HA ASP 36 HA ASP 36 1.134 9.526 -0.820 275 1HB ASP 36 2HB ASP 36 3.681 10.495 0.438 276 2HB ASP 36 3HB ASP 36 3.707 9.735 -1.147 277 H ALA 37 H ALA 37 2.461 7.877 -2.032 278 HA ALA 37 HA ALA 37 2.944 5.410 -0.527 279 1HB ALA 37 1HB ALA 37 0.972 4.246 -1.443 280 2HB ALA 37 2HB ALA 37 0.425 5.669 -0.564 281 3HB ALA 37 3HB ALA 37 0.501 5.702 -2.339 282 H ASN 38 H ASN 38 3.843 3.701 -1.859 283 HA ASN 38 HA ASN 38 4.663 4.484 -4.564 284 1HB ASN 38 2HB ASN 38 7.049 4.010 -2.862 285 2HB ASN 38 3HB ASN 38 6.818 5.071 -4.242 286 1HD2 ASN 38 1HD2 ASN 38 6.004 4.674 -0.787 287 2HD2 ASN 38 2HD2 ASN 38 6.254 6.373 -0.365 288 H VAL 39 H VAL 39 4.489 2.585 -5.604 289 HA VAL 39 HA VAL 39 4.988 0.067 -4.175 290 HB VAL 39 HB VAL 39 3.117 0.380 -5.813 291 1HG1 VAL 39 1HG1 VAL 39 4.388 1.633 -7.602 292 2HG1 VAL 39 2HG1 VAL 39 5.257 0.124 -7.969 293 3HG1 VAL 39 3HG1 VAL 39 3.510 0.208 -8.179 294 1HG2 VAL 39 1HG2 VAL 39 3.822 -1.802 -5.088 295 2HG2 VAL 39 2HG2 VAL 39 3.547 -1.858 -6.841 296 3HG2 VAL 39 3HG2 VAL 39 5.202 -1.766 -6.211 297 H ASN 40 H ASN 40 7.003 -0.894 -4.153 298 HA ASN 40 HA ASN 40 9.140 0.221 -5.936 299 1HB ASN 40 2HB ASN 40 9.445 0.753 -3.540 300 2HB ASN 40 3HB ASN 40 9.344 -0.964 -3.144 301 1HD2 ASN 40 1HD2 ASN 40 11.551 -0.286 -2.184 302 2HD2 ASN 40 2HD2 ASN 40 12.932 -0.456 -3.258 303 H LEU 41 H LEU 41 7.532 -1.388 -7.103 304 HA LEU 41 HA LEU 41 7.868 -4.174 -6.608 305 1HB LEU 41 2HB LEU 41 6.160 -2.550 -8.156 306 2HB LEU 41 3HB LEU 41 7.023 -3.496 -9.346 307 HG LEU 41 HG LEU 41 4.821 -4.386 -8.546 308 1HD1 LEU 41 1HD1 LEU 41 6.406 -5.871 -9.685 309 2HD1 LEU 41 2HD1 LEU 41 7.193 -6.251 -8.144 310 3HD1 LEU 41 3HD1 LEU 41 5.513 -6.743 -8.428 311 1HD2 LEU 41 1HD2 LEU 41 4.386 -5.226 -6.478 312 2HD2 LEU 41 2HD2 LEU 41 6.073 -5.542 -6.076 313 3HD2 LEU 41 3HD2 LEU 41 5.451 -3.895 -6.005 314 H ALA 42 H ALA 42 9.797 -1.878 -8.279 315 HA ALA 42 HA ALA 42 11.445 -3.316 -9.981 316 1HB ALA 42 1HB ALA 42 12.279 -1.406 -7.760 317 2HB ALA 42 2HB ALA 42 13.250 -1.854 -9.172 318 3HB ALA 42 3HB ALA 42 11.750 -0.919 -9.393 319 H THR 43 H THR 43 11.267 -3.502 -6.394 320 HA THR 43 HA THR 43 12.903 -5.977 -6.578 321 HB THR 43 HB THR 43 14.383 -4.304 -5.698 322 HG1 THR 43 1HG THR 43 13.354 -6.106 -3.790 323 1HG2 THR 43 1HG2 THR 43 12.274 -3.767 -3.565 324 2HG2 THR 43 2HG2 THR 43 13.941 -3.158 -3.550 325 3HG2 THR 43 3HG2 THR 43 12.827 -2.643 -4.826 326 H GLU 44 H GLU 44 10.086 -5.658 -6.775 327 HA GLU 44 HA GLU 44 8.143 -6.485 -6.028 328 1HB GLU 44 2HB GLU 44 10.094 -8.441 -4.751 329 2HB GLU 44 3HB GLU 44 8.354 -8.713 -4.909 330 1HG GLU 44 2HG GLU 44 8.476 -8.455 -7.357 331 2HG GLU 44 3HG GLU 44 10.228 -8.208 -7.252 332 H THR 45 H THR 45 9.213 -4.294 -4.272 333 HA THR 45 HA THR 45 7.989 -5.029 -1.659 334 HB THR 45 HB THR 45 10.125 -2.998 -2.437 335 HG1 THR 45 1HG THR 45 11.457 -4.541 -1.326 336 1HG2 THR 45 1HG2 THR 45 9.161 -3.920 0.297 337 2HG2 THR 45 2HG2 THR 45 10.597 -2.923 0.001 338 3HG2 THR 45 3HG2 THR 45 8.999 -2.272 -0.374 339 H VAL 46 H VAL 46 6.871 -3.189 -0.550 340 HA VAL 46 HA VAL 46 6.008 -0.926 -2.272 341 HB VAL 46 HB VAL 46 4.214 -2.529 -2.479 342 1HG1 VAL 46 1HG1 VAL 46 4.540 -3.995 -0.548 343 2HG1 VAL 46 2HG1 VAL 46 4.156 -2.660 0.563 344 3HG1 VAL 46 3HG1 VAL 46 2.909 -3.323 -0.507 345 1HG2 VAL 46 1HG2 VAL 46 3.688 -0.128 -2.166 346 2HG2 VAL 46 2HG2 VAL 46 2.372 -1.218 -1.684 347 3HG2 VAL 46 3HG2 VAL 46 3.371 -0.436 -0.443 348 H ASN 47 H ASN 47 5.665 0.998 -1.177 349 HA ASN 47 HA ASN 47 6.437 1.029 1.671 350 1HB ASN 47 2HB ASN 47 7.713 2.494 -0.683 351 2HB ASN 47 3HB ASN 47 7.752 3.182 0.941 352 1HD2 ASN 47 1HD2 ASN 47 8.527 1.604 2.730 353 2HD2 ASN 47 2HD2 ASN 47 10.079 0.896 2.317 354 H VAL 48 H VAL 48 5.045 2.475 2.823 355 HA VAL 48 HA VAL 48 3.277 4.159 1.175 356 HB VAL 48 HB VAL 48 2.031 2.138 1.533 357 1HG1 VAL 48 1HG1 VAL 48 3.150 1.198 3.500 358 2HG1 VAL 48 2HG1 VAL 48 2.487 2.495 4.526 359 3HG1 VAL 48 3HG1 VAL 48 1.407 1.323 3.754 360 1HG2 VAL 48 1HG2 VAL 48 0.118 3.117 2.774 361 2HG2 VAL 48 2HG2 VAL 48 1.143 4.463 3.295 362 3HG2 VAL 48 3HG2 VAL 48 0.811 4.222 1.569 363 H ILE 49 H ILE 49 3.097 6.133 2.023 364 HA ILE 49 HA ILE 49 4.626 6.640 4.462 365 HB ILE 49 HB ILE 49 3.859 8.696 2.339 366 1HG1 ILE 49 2HG1 ILE 49 5.064 7.063 1.102 367 2HG1 ILE 49 3HG1 ILE 49 6.056 8.496 1.350 368 1HG2 ILE 49 1HG2 ILE 49 5.968 8.669 4.526 369 2HG2 ILE 49 2HG2 ILE 49 5.797 9.921 3.276 370 3HG2 ILE 49 3HG2 ILE 49 4.502 9.655 4.449 371 1HD1 ILE 49 1HD1 ILE 49 6.315 5.868 2.868 372 2HD1 ILE 49 2HD1 ILE 49 7.427 6.510 1.646 373 3HD1 ILE 49 3HD1 ILE 49 7.253 7.340 3.202 374 H TYR 50 H TYR 50 3.069 6.634 6.130 375 HA TYR 50 HA TYR 50 0.616 8.296 5.752 376 1HB TYR 50 2HB TYR 50 -0.770 6.635 6.835 377 2HB TYR 50 3HB TYR 50 -0.154 6.102 5.291 378 HD1 TYR 50 HD1 TYR 50 0.927 5.833 8.932 379 HD2 TYR 50 HD2 TYR 50 0.091 3.803 5.226 380 HE1 TYR 50 HE1 TYR 50 1.255 3.683 10.044 381 HE2 TYR 50 HE2 TYR 50 0.380 1.633 6.370 382 HH TYR 50 HH TYR 50 1.427 1.412 9.776 383 H ASP 51 H ASP 51 -0.493 8.747 7.751 384 HA ASP 51 HA ASP 51 1.447 9.321 9.922 385 1HB ASP 51 2HB ASP 51 -0.011 11.117 9.585 386 2HB ASP 51 3HB ASP 51 -1.430 10.063 9.511 387 HA PRO 52 HA PRO 52 0.109 5.326 11.517 388 1HB PRO 52 2HB PRO 52 1.986 4.866 13.372 389 2HB PRO 52 3HB PRO 52 2.418 5.027 11.651 390 1HG PRO 52 2HG PRO 52 2.504 7.222 13.762 391 2HG PRO 52 3HG PRO 52 3.833 6.707 12.683 392 1HD PRO 52 2HD PRO 52 2.175 8.807 12.072 393 2HD PRO 52 3HD PRO 52 2.816 7.709 10.810 394 H ALA 53 H ALA 53 -0.901 8.161 12.799 395 HA ALA 53 HA ALA 53 -1.832 6.999 15.372 396 1HB ALA 53 1HB ALA 53 -2.506 9.233 15.936 397 2HB ALA 53 2HB ALA 53 -0.800 9.278 15.442 398 3HB ALA 53 3HB ALA 53 -2.068 9.855 14.342 399 H GLU 54 H GLU 54 -2.764 8.305 12.158 400 HA GLU 54 HA GLU 54 -5.617 7.792 12.738 401 1HB GLU 54 2HB GLU 54 -4.147 9.640 11.012 402 2HB GLU 54 3HB GLU 54 -5.220 8.626 10.040 403 1HG GLU 54 2HG GLU 54 -6.529 10.457 10.542 404 2HG GLU 54 3HG GLU 54 -7.102 9.223 11.666 405 H THR 55 H THR 55 -3.233 7.086 10.158 406 HA THR 55 HA THR 55 -4.334 4.420 9.892 407 HB THR 55 HB THR 55 -2.393 4.448 7.881 408 HG1 THR 55 1HG THR 55 -3.897 6.568 7.364 409 1HG2 THR 55 1HG2 THR 55 -5.390 5.160 7.899 410 2HG2 THR 55 2HG2 THR 55 -4.435 4.597 6.499 411 3HG2 THR 55 3HG2 THR 55 -4.719 3.499 7.877 412 H GLY 56 H GLY 56 -2.313 3.015 9.164 413 1HA GLY 56 2HA GLY 56 -0.598 1.983 11.041 414 2HA GLY 56 3HA GLY 56 -2.280 1.739 11.604 415 H THR 57 H THR 57 -1.944 -0.613 10.939 416 HA THR 57 HA THR 57 -1.329 -1.277 8.156 417 HB THR 57 HB THR 57 -1.733 -3.602 9.187 418 HG1 THR 57 1HG THR 57 -1.810 -3.556 11.488 419 1HG2 THR 57 1HG2 THR 57 0.543 -2.588 8.966 420 2HG2 THR 57 2HG2 THR 57 0.342 -1.768 10.524 421 3HG2 THR 57 3HG2 THR 57 0.410 -3.541 10.454 422 H ALA 58 H ALA 58 -3.968 -1.055 10.439 423 HA ALA 58 HA ALA 58 -5.877 -2.578 9.434 424 1HB ALA 58 1HB ALA 58 -7.537 -1.062 10.500 425 2HB ALA 58 2HB ALA 58 -6.100 -1.293 11.516 426 3HB ALA 58 3HB ALA 58 -6.296 0.209 10.587 427 H ALA 59 H ALA 59 -5.528 0.772 8.356 428 HA ALA 59 HA ALA 59 -8.006 0.468 6.772 429 1HB ALA 59 1HB ALA 59 -7.772 2.688 6.042 430 2HB ALA 59 2HB ALA 59 -7.186 2.701 7.720 431 3HB ALA 59 3HB ALA 59 -6.036 2.712 6.345 432 H ILE 60 H ILE 60 -4.562 0.560 6.191 433 HA ILE 60 HA ILE 60 -4.450 0.284 3.397 434 HB ILE 60 HB ILE 60 -2.644 -0.334 5.763 435 1HG1 ILE 60 2HG1 ILE 60 -1.119 1.067 4.281 436 2HG1 ILE 60 3HG1 ILE 60 -2.487 1.187 3.171 437 1HG2 ILE 60 1HG2 ILE 60 -0.885 -1.190 4.287 438 2HG2 ILE 60 2HG2 ILE 60 -2.211 -2.334 4.438 439 3HG2 ILE 60 3HG2 ILE 60 -2.054 -1.348 2.958 440 1HD1 ILE 60 1HD1 ILE 60 -2.170 3.185 4.711 441 2HD1 ILE 60 2HD1 ILE 60 -3.744 2.434 4.989 442 3HD1 ILE 60 3HD1 ILE 60 -2.399 2.122 6.102 443 H GLN 61 H GLN 61 -4.578 -2.317 5.893 444 HA GLN 61 HA GLN 61 -4.502 -4.307 3.891 445 1HB GLN 61 2HB GLN 61 -4.016 -4.352 6.412 446 2HB GLN 61 3HB GLN 61 -5.707 -4.835 6.603 447 1HG GLN 61 2HG GLN 61 -5.323 -6.864 5.354 448 2HG GLN 61 3HG GLN 61 -3.810 -6.260 4.666 449 1HE2 GLN 61 1HE2 GLN 61 -2.098 -5.561 6.399 450 2HE2 GLN 61 2HE2 GLN 61 -1.887 -6.726 7.697 451 H GLU 62 H GLU 62 -7.240 -2.826 5.627 452 HA GLU 62 HA GLU 62 -9.446 -4.161 4.574 453 1HB GLU 62 2HB GLU 62 -8.958 -1.818 6.036 454 2HB GLU 62 3HB GLU 62 -9.728 -1.187 4.603 455 1HG GLU 62 2HG GLU 62 -10.885 -3.447 6.305 456 2HG GLU 62 3HG GLU 62 -11.158 -1.737 6.639 457 H LYS 63 H LYS 63 -7.789 -1.295 3.141 458 HA LYS 63 HA LYS 63 -9.308 -1.375 0.705 459 1HB LYS 63 2HB LYS 63 -6.895 0.113 1.774 460 2HB LYS 63 3HB LYS 63 -7.555 0.356 0.184 461 1HG LYS 63 2HG LYS 63 -9.010 0.775 2.856 462 2HG LYS 63 3HG LYS 63 -8.424 2.012 1.762 463 1HD LYS 63 2HD LYS 63 -10.627 2.056 1.108 464 2HD LYS 63 3HD LYS 63 -10.029 0.822 0.005 465 1HE LYS 63 2HE LYS 63 -11.880 -0.316 0.807 466 2HE LYS 63 3HE LYS 63 -10.767 -0.792 2.088 467 1HZ LYS 63 1HZ LYS 63 -12.519 -0.144 3.167 468 2HZ LYS 63 2HZ LYS 63 -11.574 1.154 3.335 469 3HZ LYS 63 3HZ LYS 63 -12.855 1.217 2.272 470 H ILE 64 H ILE 64 -6.068 -2.578 1.516 471 HA ILE 64 HA ILE 64 -5.088 -3.160 -0.986 472 HB ILE 64 HB ILE 64 -4.750 -4.107 1.760 473 1HG1 ILE 64 2HG1 ILE 64 -3.437 -2.312 0.525 474 2HG1 ILE 64 3HG1 ILE 64 -2.521 -3.532 1.405 475 1HG2 ILE 64 1HG2 ILE 64 -3.977 -5.976 -0.434 476 2HG2 ILE 64 2HG2 ILE 64 -3.243 -5.930 1.191 477 3HG2 ILE 64 3HG2 ILE 64 -4.963 -6.266 1.028 478 1HD1 ILE 64 1HD1 ILE 64 -3.009 -3.633 -1.601 479 2HD1 ILE 64 2HD1 ILE 64 -1.536 -3.042 -0.809 480 3HD1 ILE 64 3HD1 ILE 64 -2.001 -4.741 -0.652 481 H GLU 65 H GLU 65 -7.150 -5.156 1.236 482 HA GLU 65 HA GLU 65 -7.766 -7.285 -0.530 483 1HB GLU 65 2HB GLU 65 -9.189 -6.092 1.881 484 2HB GLU 65 3HB GLU 65 -9.807 -7.509 1.029 485 1HG GLU 65 2HG GLU 65 -6.925 -7.565 1.903 486 2HG GLU 65 3HG GLU 65 -8.191 -7.740 3.125 487 H LYS 66 H LYS 66 -9.822 -4.425 0.299 488 HA LYS 66 HA LYS 66 -11.832 -5.084 -1.558 489 1HB LYS 66 2HB LYS 66 -11.101 -2.714 0.066 490 2HB LYS 66 3HB LYS 66 -12.042 -2.317 -1.367 491 1HG LYS 66 2HG LYS 66 -12.864 -4.597 0.460 492 2HG LYS 66 3HG LYS 66 -13.291 -2.948 0.880 493 1HD LYS 66 2HD LYS 66 -13.894 -3.993 -1.912 494 2HD LYS 66 3HD LYS 66 -14.957 -4.415 -0.561 495 1HE LYS 66 2HE LYS 66 -15.438 -2.097 -0.070 496 2HE LYS 66 3HE LYS 66 -14.216 -1.521 -1.216 497 1HZ LYS 66 1HZ LYS 66 -16.646 -3.005 -1.970 498 2HZ LYS 66 2HZ LYS 66 -16.442 -1.377 -2.091 499 3HZ LYS 66 3HZ LYS 66 -15.517 -2.389 -3.003 500 H LEU 67 H LEU 67 -8.848 -3.354 -2.203 501 HA LEU 67 HA LEU 67 -9.564 -2.512 -4.886 502 1HB LEU 67 2HB LEU 67 -6.951 -2.681 -3.375 503 2HB LEU 67 3HB LEU 67 -7.062 -2.102 -5.038 504 HG LEU 67 HG LEU 67 -8.835 -0.864 -2.905 505 1HD1 LEU 67 1HD1 LEU 67 -6.046 0.112 -3.577 506 2HD1 LEU 67 2HD1 LEU 67 -7.191 0.828 -2.435 507 3HD1 LEU 67 3HD1 LEU 67 -6.458 -0.749 -2.090 508 1HD2 LEU 67 1HD2 LEU 67 -8.702 1.097 -4.403 509 2HD2 LEU 67 2HD2 LEU 67 -7.609 0.216 -5.487 510 3HD2 LEU 67 3HD2 LEU 67 -9.292 -0.312 -5.296 511 H GLY 68 H GLY 68 -8.610 -5.526 -3.465 512 1HA GLY 68 2HA GLY 68 -8.837 -7.549 -4.543 513 2HA GLY 68 3HA GLY 68 -8.631 -6.791 -6.124 514 H TYR 69 H TYR 69 -6.560 -6.619 -3.149 515 HA TYR 69 HA TYR 69 -4.353 -8.052 -4.559 516 1HB TYR 69 2HB TYR 69 -4.570 -5.196 -3.891 517 2HB TYR 69 3HB TYR 69 -3.185 -5.933 -3.123 518 HD1 TYR 69 HD1 TYR 69 -1.234 -6.520 -4.339 519 HD2 TYR 69 HD2 TYR 69 -4.865 -5.523 -6.438 520 HE1 TYR 69 HE1 TYR 69 0.035 -6.265 -6.414 521 HE2 TYR 69 HE2 TYR 69 -3.628 -5.434 -8.547 522 HH TYR 69 HH TYR 69 -0.063 -5.835 -8.701 523 H HIS 70 H HIS 70 -2.485 -8.357 -2.884 524 HA HIS 70 HA HIS 70 -3.467 -8.486 -0.095 525 1HB HIS 70 2HB HIS 70 -3.857 -10.690 -1.341 526 2HB HIS 70 3HB HIS 70 -2.104 -10.878 -1.369 527 HD1 HIS 70 1HD HIS 70 -1.400 -10.101 1.666 528 HD2 HIS 70 2HD HIS 70 -4.745 -12.342 0.398 529 HE1 HIS 70 1HE HIS 70 -2.161 -11.459 3.653 530 H VAL 71 H VAL 71 -1.955 -7.638 1.210 531 HA VAL 71 HA VAL 71 0.823 -7.263 0.230 532 HB VAL 71 HB VAL 71 -0.494 -5.324 1.074 533 1HG1 VAL 71 1HG1 VAL 71 -0.208 -6.600 3.830 534 2HG1 VAL 71 2HG1 VAL 71 -0.886 -5.010 3.447 535 3HG1 VAL 71 3HG1 VAL 71 -1.735 -6.476 2.936 536 1HG2 VAL 71 1HG2 VAL 71 1.955 -5.976 2.733 537 2HG2 VAL 71 2HG2 VAL 71 1.967 -5.312 1.079 538 3HG2 VAL 71 3HG2 VAL 71 1.285 -4.367 2.409 539 H VAL 72 H VAL 72 2.608 -7.970 1.605 540 HA VAL 72 HA VAL 72 1.956 -10.074 3.611 541 HB VAL 72 HB VAL 72 4.112 -10.251 1.574 542 1HG1 VAL 72 1HG1 VAL 72 4.330 -12.591 2.400 543 2HG1 VAL 72 2HG1 VAL 72 4.686 -11.412 3.660 544 3HG1 VAL 72 3HG1 VAL 72 3.117 -12.247 3.648 545 1HG2 VAL 72 1HG2 VAL 72 2.776 -12.156 0.626 546 2HG2 VAL 72 2HG2 VAL 72 1.443 -11.724 1.717 547 3HG2 VAL 72 3HG2 VAL 72 1.959 -10.601 0.438 548 H ILE 73 H ILE 73 3.338 -10.130 5.336 549 HA ILE 73 HA ILE 73 5.065 -7.728 5.688 550 HB ILE 73 HB ILE 73 3.279 -9.041 7.739 551 1HG1 ILE 73 2HG1 ILE 73 2.446 -6.515 7.707 552 2HG1 ILE 73 3HG1 ILE 73 3.097 -6.530 6.065 553 1HG2 ILE 73 1HG2 ILE 73 3.946 -7.214 9.190 554 2HG2 ILE 73 2HG2 ILE 73 5.392 -8.121 8.749 555 3HG2 ILE 73 3HG2 ILE 73 5.048 -6.577 7.943 556 1HD1 ILE 73 1HD1 ILE 73 0.661 -7.032 6.264 557 2HD1 ILE 73 2HD1 ILE 73 1.575 -8.335 5.484 558 3HD1 ILE 73 3HD1 ILE 73 1.083 -8.494 7.193 559 H GLU 74 H GLU 74 6.848 -9.238 4.835 560 HA GLU 74 HA GLU 74 7.703 -11.261 6.559 561 1HB GLU 74 2HB GLU 74 8.928 -9.880 4.161 562 2HB GLU 74 3HB GLU 74 9.728 -11.156 5.059 563 1HG GLU 74 2HG GLU 74 7.700 -12.636 4.681 564 2HG GLU 74 3HG GLU 74 7.082 -11.396 3.572 565 H GLY 75 H GLY 75 7.773 -8.103 7.002 566 1HA GLY 75 2HA GLY 75 8.660 -6.844 8.762 567 2HA GLY 75 3HA GLY 75 9.578 -8.264 9.274 568 H ARG 76 H ARG 76 9.486 -5.799 6.692 569 HA ARG 76 HA ARG 76 10.989 -4.639 5.554 570 1HB ARG 76 2HB ARG 76 11.149 -3.845 7.940 571 2HB ARG 76 3HB ARG 76 12.537 -4.893 8.113 572 1HG ARG 76 2HG ARG 76 13.047 -3.267 5.801 573 2HG ARG 76 3HG ARG 76 12.249 -2.185 6.947 574 1HD ARG 76 2HD ARG 76 14.635 -2.028 7.282 575 2HD ARG 76 3HD ARG 76 13.954 -2.890 8.690 576 HE ARG 76 HE ARG 76 14.536 -4.837 6.789 577 1HH1 ARG 76 2HH2 ARG 76 16.431 -2.596 8.709 578 2HH1 ARG 76 1HH2 ARG 76 17.934 -3.459 8.535 579 1HH2 ARG 76 2HH1 ARG 76 16.383 -5.969 6.488 580 2HH2 ARG 76 1HH1 ARG 76 17.913 -5.496 7.190 Start of MODEL 28 1 1H MET 1 H1 MET 1 3.396 19.249 14.869 2 2H MET 1 H2 MET 1 4.304 18.434 15.979 3 3H MET 1 H3 MET 1 3.299 17.611 14.965 4 HA MET 1 HA MET 1 2.319 17.750 17.147 5 1HB MET 1 2HB MET 1 2.824 20.709 16.677 6 2HB MET 1 3HB MET 1 1.552 20.159 17.775 7 1HG MET 1 2HG MET 1 3.092 18.955 19.153 8 2HG MET 1 3HG MET 1 4.466 19.409 18.126 9 1HE MET 1 1HE MET 1 5.432 20.102 20.642 10 2HE MET 1 2HE MET 1 4.706 21.419 21.598 11 3HE MET 1 3HE MET 1 3.836 19.880 21.411 12 H LEU 2 H LEU 2 1.146 16.649 15.260 13 HA LEU 2 HA LEU 2 -1.473 17.424 15.375 14 1HB LEU 2 2HB LEU 2 -0.363 19.092 13.435 15 2HB LEU 2 3HB LEU 2 -0.881 17.751 12.442 16 HG LEU 2 HG LEU 2 -2.650 19.233 14.430 17 1HD1 LEU 2 1HD1 LEU 2 -1.947 20.661 12.551 18 2HD1 LEU 2 2HD1 LEU 2 -2.484 19.423 11.393 19 3HD1 LEU 2 3HD1 LEU 2 -3.667 20.250 12.430 20 1HD2 LEU 2 1HD2 LEU 2 -3.451 16.923 14.048 21 2HD2 LEU 2 2HD2 LEU 2 -4.505 18.076 13.223 22 3HD2 LEU 2 3HD2 LEU 2 -3.313 17.148 12.291 23 H SER 3 H SER 3 0.621 16.212 12.762 24 HA SER 3 HA SER 3 -0.116 13.382 13.219 25 1HB SER 3 2HB SER 3 -0.333 15.036 10.645 26 2HB SER 3 3HB SER 3 -0.177 13.276 10.640 27 HG SER 3 HG SER 3 -2.045 13.051 11.676 28 H GLU 4 H GLU 4 1.795 12.170 13.062 29 HA GLU 4 HA GLU 4 4.265 13.452 12.056 30 1HB GLU 4 2HB GLU 4 3.610 11.145 13.806 31 2HB GLU 4 3HB GLU 4 5.009 10.982 12.776 32 1HG GLU 4 2HG GLU 4 5.739 13.215 13.674 33 2HG GLU 4 3HG GLU 4 4.478 13.005 14.890 34 H GLN 5 H GLN 5 5.493 11.508 10.763 35 HA GLN 5 HA GLN 5 3.622 10.096 8.991 36 1HB GLN 5 2HB GLN 5 6.031 11.751 8.217 37 2HB GLN 5 3HB GLN 5 5.330 10.584 7.109 38 1HG GLN 5 2HG GLN 5 3.519 12.739 8.266 39 2HG GLN 5 3HG GLN 5 4.723 13.174 7.069 40 1HE2 GLN 5 1HE2 GLN 5 3.095 9.967 7.072 41 2HE2 GLN 5 2HE2 GLN 5 2.235 10.267 5.579 42 H LYS 6 H LYS 6 4.451 8.056 8.436 43 HA LYS 6 HA LYS 6 7.292 7.603 8.715 44 1HB LYS 6 2HB LYS 6 5.340 5.787 10.175 45 2HB LYS 6 3HB LYS 6 6.999 5.345 9.752 46 1HG LYS 6 2HG LYS 6 7.813 7.403 10.911 47 2HG LYS 6 3HG LYS 6 6.192 7.646 11.574 48 1HD LYS 6 2HD LYS 6 6.252 5.596 12.802 49 2HD LYS 6 3HD LYS 6 7.718 5.036 11.993 50 1HE LYS 6 2HE LYS 6 7.570 7.554 13.737 51 2HE LYS 6 3HE LYS 6 8.071 5.965 14.339 52 1HZ LYS 6 1HZ LYS 6 9.429 7.468 12.195 53 2HZ LYS 6 2HZ LYS 6 9.943 7.325 13.745 54 3HZ LYS 6 3HZ LYS 6 9.887 5.998 12.771 55 H GLU 7 H GLU 7 8.056 5.889 7.617 56 HA GLU 7 HA GLU 7 6.630 5.420 5.084 57 1HB GLU 7 2HB GLU 7 9.624 5.217 5.500 58 2HB GLU 7 3HB GLU 7 8.657 5.579 4.074 59 1HG GLU 7 2HG GLU 7 9.679 7.607 4.626 60 2HG GLU 7 3HG GLU 7 8.094 7.819 5.382 61 H ILE 8 H ILE 8 5.609 3.447 5.674 62 HA ILE 8 HA ILE 8 7.209 1.386 7.013 63 HB ILE 8 HB ILE 8 4.431 1.370 5.997 64 1HG1 ILE 8 2HG1 ILE 8 4.346 3.193 7.478 65 2HG1 ILE 8 3HG1 ILE 8 3.661 1.793 8.320 66 1HG2 ILE 8 1HG2 ILE 8 5.954 -0.340 7.897 67 2HG2 ILE 8 2HG2 ILE 8 4.167 -0.374 7.805 68 3HG2 ILE 8 3HG2 ILE 8 5.133 -0.804 6.381 69 1HD1 ILE 8 1HD1 ILE 8 5.157 2.963 9.805 70 2HD1 ILE 8 2HD1 ILE 8 5.841 1.372 9.364 71 3HD1 ILE 8 3HD1 ILE 8 6.463 2.853 8.598 72 H ALA 9 H ALA 9 7.263 -0.764 5.984 73 HA ALA 9 HA ALA 9 7.448 -0.753 3.031 74 1HB ALA 9 1HB ALA 9 9.752 -0.364 3.959 75 2HB ALA 9 2HB ALA 9 9.581 -1.841 4.926 76 3HB ALA 9 3HB ALA 9 9.586 -1.938 3.154 77 H MET 10 H MET 10 6.598 -2.725 2.221 78 HA MET 10 HA MET 10 6.739 -5.096 3.856 79 1HB MET 10 2HB MET 10 4.352 -5.598 3.961 80 2HB MET 10 3HB MET 10 4.777 -4.217 4.950 81 1HG MET 10 2HG MET 10 3.499 -4.007 2.197 82 2HG MET 10 3HG MET 10 2.641 -4.057 3.736 83 1HE MET 10 1HE MET 10 1.244 -2.085 3.313 84 2HE MET 10 2HE MET 10 1.841 -0.462 2.927 85 3HE MET 10 3HE MET 10 1.970 -1.765 1.720 86 H GLN 11 H GLN 11 5.304 -6.909 2.660 87 HA GLN 11 HA GLN 11 6.388 -6.899 -0.107 88 1HB GLN 11 2HB GLN 11 5.578 -9.074 1.882 89 2HB GLN 11 3HB GLN 11 5.900 -9.422 0.187 90 1HG GLN 11 2HG GLN 11 7.842 -8.270 2.252 91 2HG GLN 11 3HG GLN 11 7.854 -9.899 1.553 92 1HE2 GLN 11 1HE2 GLN 11 7.612 -9.716 -1.056 93 2HE2 GLN 11 2HE2 GLN 11 8.543 -8.429 -1.801 94 H VAL 12 H VAL 12 5.082 -7.946 -1.752 95 HA VAL 12 HA VAL 12 2.189 -7.211 -1.516 96 HB VAL 12 HB VAL 12 4.078 -7.145 -3.914 97 1HG1 VAL 12 1HG1 VAL 12 1.163 -6.298 -3.613 98 2HG1 VAL 12 2HG1 VAL 12 2.202 -5.892 -4.996 99 3HG1 VAL 12 3HG1 VAL 12 1.799 -7.579 -4.676 100 1HG2 VAL 12 1HG2 VAL 12 2.892 -4.920 -2.207 101 2HG2 VAL 12 2HG2 VAL 12 4.619 -5.326 -2.367 102 3HG2 VAL 12 3HG2 VAL 12 3.738 -4.659 -3.741 103 H SER 13 H SER 13 0.673 -8.642 -2.672 104 HA SER 13 HA SER 13 1.762 -10.936 -4.098 105 1HB SER 13 2HB SER 13 0.120 -11.238 -1.557 106 2HB SER 13 3HB SER 13 0.190 -12.507 -2.789 107 HG SER 13 HG SER 13 2.623 -11.429 -1.941 108 H GLY 14 H GLY 14 -0.046 -12.139 -5.155 109 1HA GLY 14 2HA GLY 14 -1.756 -12.054 -6.693 110 2HA GLY 14 3HA GLY 14 -2.575 -10.865 -5.663 111 H MET 15 H MET 15 0.568 -10.874 -7.407 112 HA MET 15 HA MET 15 -0.270 -8.507 -8.987 113 1HB MET 15 2HB MET 15 1.918 -7.525 -8.774 114 2HB MET 15 3HB MET 15 1.261 -7.832 -7.166 115 1HG MET 15 2HG MET 15 3.452 -8.432 -6.929 116 2HG MET 15 3HG MET 15 2.687 -10.000 -7.181 117 1HE MET 15 1HE MET 15 6.321 -10.266 -8.721 118 2HE MET 15 2HE MET 15 5.836 -9.309 -7.310 119 3HE MET 15 3HE MET 15 5.185 -10.948 -7.540 120 H THR 16 H THR 16 0.980 -8.334 -10.948 121 HA THR 16 HA THR 16 2.739 -10.078 -12.113 122 HB THR 16 HB THR 16 0.884 -11.101 -13.857 123 HG1 THR 16 1HG THR 16 -0.125 -11.544 -11.265 124 1HG2 THR 16 1HG2 THR 16 1.253 -13.295 -12.761 125 2HG2 THR 16 2HG2 THR 16 2.744 -12.391 -13.051 126 3HG2 THR 16 3HG2 THR 16 2.096 -12.506 -11.418 127 H CYS 17 H CYS 17 -0.214 -8.226 -12.786 128 HA CYS 17 HA CYS 17 0.323 -7.129 -15.267 129 1HB CYS 17 2HB CYS 17 -1.718 -6.740 -13.910 130 2HB CYS 17 3HB CYS 17 -0.781 -5.754 -12.771 131 H ALA 18 H ALA 18 1.732 -6.257 -12.129 132 HA ALA 18 HA ALA 18 3.491 -5.009 -11.487 133 1HB ALA 18 1HB ALA 18 5.448 -4.861 -12.885 134 2HB ALA 18 2HB ALA 18 4.713 -6.461 -13.103 135 3HB ALA 18 3HB ALA 18 4.515 -5.208 -14.348 136 H ALA 19 H ALA 19 1.045 -3.806 -12.896 137 HA ALA 19 HA ALA 19 2.027 -0.991 -12.803 138 1HB ALA 19 1HB ALA 19 1.680 -1.661 -15.156 139 2HB ALA 19 2HB ALA 19 0.014 -2.134 -14.780 140 3HB ALA 19 3HB ALA 19 0.506 -0.433 -14.632 141 H CYS 20 H CYS 20 -0.875 -3.167 -12.659 142 HA CYS 20 HA CYS 20 -2.563 -1.615 -11.148 143 1HB CYS 20 2HB CYS 20 -1.907 -4.602 -11.117 144 2HB CYS 20 3HB CYS 20 -3.105 -3.966 -10.017 145 H ALA 21 H ALA 21 0.297 -3.319 -9.945 146 HA ALA 21 HA ALA 21 0.049 -2.934 -7.212 147 1HB ALA 21 1HB ALA 21 2.619 -2.571 -8.797 148 2HB ALA 21 2HB ALA 21 2.430 -3.174 -7.133 149 3HB ALA 21 3HB ALA 21 1.861 -4.148 -8.481 150 H ALA 22 H ALA 22 0.741 -0.457 -9.680 151 HA ALA 22 HA ALA 22 1.361 1.664 -7.756 152 1HB ALA 22 1HB ALA 22 0.480 1.830 -10.668 153 2HB ALA 22 2HB ALA 22 1.215 3.117 -9.694 154 3HB ALA 22 3HB ALA 22 2.170 1.681 -10.129 155 H ARG 23 H ARG 23 -1.409 0.638 -9.749 156 HA ARG 23 HA ARG 23 -3.175 2.767 -9.177 157 1HB ARG 23 2HB ARG 23 -3.784 -0.167 -9.742 158 2HB ARG 23 3HB ARG 23 -4.987 1.103 -9.744 159 1HG ARG 23 2HG ARG 23 -2.524 1.280 -11.535 160 2HG ARG 23 3HG ARG 23 -3.922 0.317 -11.995 161 1HD ARG 23 2HD ARG 23 -4.048 3.283 -11.272 162 2HD ARG 23 3HD ARG 23 -3.925 2.696 -12.918 163 HE ARG 23 HE ARG 23 -6.271 2.758 -11.206 164 1HH1 ARG 23 2HH2 ARG 23 -4.814 1.000 -13.885 165 2HH1 ARG 23 1HH2 ARG 23 -6.309 0.430 -14.557 166 1HH2 ARG 23 2HH1 ARG 23 -8.296 1.995 -12.040 167 2HH2 ARG 23 1HH1 ARG 23 -8.335 1.014 -13.465 168 H ILE 24 H ILE 24 -2.801 -0.412 -7.527 169 HA ILE 24 HA ILE 24 -4.808 0.103 -5.630 170 HB ILE 24 HB ILE 24 -4.040 -1.677 -4.303 171 1HG1 ILE 24 2HG1 ILE 24 -1.491 -1.329 -5.831 172 2HG1 ILE 24 3HG1 ILE 24 -1.783 -1.273 -4.071 173 1HG2 ILE 24 1HG2 ILE 24 -3.489 -2.530 -7.164 174 2HG2 ILE 24 2HG2 ILE 24 -4.278 -3.420 -5.852 175 3HG2 ILE 24 3HG2 ILE 24 -5.107 -2.063 -6.616 176 1HD1 ILE 24 1HD1 ILE 24 -0.580 -3.291 -4.627 177 2HD1 ILE 24 2HD1 ILE 24 -2.223 -3.691 -4.074 178 3HD1 ILE 24 3HD1 ILE 24 -1.817 -3.720 -5.821 179 H GLU 25 H GLU 25 -1.233 0.587 -5.180 180 HA GLU 25 HA GLU 25 -1.413 1.833 -2.720 181 1HB GLU 25 2HB GLU 25 0.591 1.572 -4.837 182 2HB GLU 25 3HB GLU 25 0.705 3.152 -4.044 183 1HG GLU 25 2HG GLU 25 2.093 1.386 -2.958 184 2HG GLU 25 3HG GLU 25 0.917 2.115 -1.858 185 H LYS 26 H LYS 26 -2.007 3.308 -5.881 186 HA LYS 26 HA LYS 26 -2.009 6.010 -4.774 187 1HB LYS 26 2HB LYS 26 -2.970 4.957 -7.444 188 2HB LYS 26 3HB LYS 26 -2.878 6.673 -7.015 189 1HG LYS 26 2HG LYS 26 -0.478 4.797 -6.924 190 2HG LYS 26 3HG LYS 26 -0.921 5.731 -8.348 191 1HD LYS 26 2HD LYS 26 -0.582 7.821 -7.187 192 2HD LYS 26 3HD LYS 26 -0.292 7.029 -5.638 193 1HE LYS 26 2HE LYS 26 1.440 6.569 -8.106 194 2HE LYS 26 3HE LYS 26 1.792 7.793 -6.878 195 1HZ LYS 26 1HZ LYS 26 2.972 5.703 -6.554 196 2HZ LYS 26 2HZ LYS 26 2.104 6.126 -5.251 197 3HZ LYS 26 3HZ LYS 26 1.557 4.927 -6.242 198 H GLY 27 H GLY 27 -4.640 3.683 -5.616 199 1HA GLY 27 2HA GLY 27 -6.697 5.530 -4.656 200 2HA GLY 27 3HA GLY 27 -6.931 3.815 -4.903 201 H LEU 28 H LEU 28 -4.606 3.069 -3.194 202 HA LEU 28 HA LEU 28 -5.819 2.875 -0.604 203 1HB LEU 28 2HB LEU 28 -4.190 1.361 -1.490 204 2HB LEU 28 3HB LEU 28 -2.943 2.608 -1.444 205 HG LEU 28 HG LEU 28 -4.396 1.938 1.102 206 1HD1 LEU 28 1HD1 LEU 28 -3.984 -0.197 0.179 207 2HD1 LEU 28 2HD1 LEU 28 -2.301 0.214 -0.225 208 3HD1 LEU 28 3HD1 LEU 28 -2.805 0.073 1.470 209 1HD2 LEU 28 1HD2 LEU 28 -2.659 3.804 0.874 210 2HD2 LEU 28 2HD2 LEU 28 -2.240 2.583 2.059 211 3HD2 LEU 28 3HD2 LEU 28 -1.467 2.558 0.460 212 H LYS 29 H LYS 29 -3.263 5.048 -1.921 213 HA LYS 29 HA LYS 29 -2.953 6.708 0.260 214 1HB LYS 29 2HB LYS 29 -1.698 6.648 -1.997 215 2HB LYS 29 3HB LYS 29 -2.947 7.750 -2.569 216 1HG LYS 29 2HG LYS 29 -2.023 8.835 -0.078 217 2HG LYS 29 3HG LYS 29 -0.606 8.177 -0.850 218 1HD LYS 29 2HD LYS 29 -0.431 9.988 -2.138 219 2HD LYS 29 3HD LYS 29 -1.954 9.640 -2.928 220 1HE LYS 29 2HE LYS 29 -1.578 11.193 -0.325 221 2HE LYS 29 3HE LYS 29 -1.845 11.915 -1.912 222 1HZ LYS 29 1HZ LYS 29 -4.025 10.818 -1.892 223 2HZ LYS 29 2HZ LYS 29 -3.733 10.195 -0.403 224 3HZ LYS 29 3HZ LYS 29 -3.847 11.816 -0.591 225 H ARG 30 H ARG 30 -5.872 6.497 -1.673 226 HA ARG 30 HA ARG 30 -6.726 9.251 -1.066 227 1HB ARG 30 2HB ARG 30 -7.914 6.941 -2.602 228 2HB ARG 30 3HB ARG 30 -8.939 8.223 -2.061 229 1HG ARG 30 2HG ARG 30 -7.538 9.895 -3.190 230 2HG ARG 30 3HG ARG 30 -6.402 8.622 -3.701 231 1HD ARG 30 2HD ARG 30 -8.130 7.545 -5.028 232 2HD ARG 30 3HD ARG 30 -9.363 8.686 -4.430 233 HE ARG 30 HE ARG 30 -7.343 10.249 -5.573 234 1HH1 ARG 30 2HH2 ARG 30 -9.647 7.815 -6.639 235 2HH1 ARG 30 1HH2 ARG 30 -9.828 8.435 -8.251 236 1HH2 ARG 30 2HH1 ARG 30 -7.569 11.142 -7.702 237 2HH2 ARG 30 1HH1 ARG 30 -8.609 10.386 -8.862 238 H MET 31 H MET 31 -6.471 6.449 0.853 239 HA MET 31 HA MET 31 -8.897 6.843 2.347 240 1HB MET 31 2HB MET 31 -7.977 5.277 3.915 241 2HB MET 31 3HB MET 31 -7.494 4.791 2.291 242 1HG MET 31 2HG MET 31 -5.241 5.787 2.707 243 2HG MET 31 3HG MET 31 -5.726 6.266 4.305 244 1HE MET 31 1HE MET 31 -5.624 1.831 3.216 245 2HE MET 31 2HE MET 31 -7.131 2.753 3.341 246 3HE MET 31 3HE MET 31 -5.925 3.154 2.077 247 HA PRO 32 HA PRO 32 -7.482 10.163 5.155 248 1HB PRO 32 2HB PRO 32 -8.594 9.319 7.536 249 2HB PRO 32 3HB PRO 32 -9.532 10.092 6.231 250 1HG PRO 32 2HG PRO 32 -9.192 7.135 6.786 251 2HG PRO 32 3HG PRO 32 -10.723 8.025 6.526 252 1HD PRO 32 2HD PRO 32 -9.558 6.677 4.521 253 2HD PRO 32 3HD PRO 32 -10.261 8.282 4.194 254 H GLY 33 H GLY 33 -5.533 10.299 6.226 255 1HA GLY 33 2HA GLY 33 -4.016 9.653 7.839 256 2HA GLY 33 3HA GLY 33 -4.434 7.955 7.647 257 H VAL 34 H VAL 34 -4.115 8.019 4.645 258 HA VAL 34 HA VAL 34 -1.160 7.838 4.632 259 HB VAL 34 HB VAL 34 -3.178 6.999 2.552 260 1HG1 VAL 34 1HG1 VAL 34 -0.976 7.496 1.524 261 2HG1 VAL 34 2HG1 VAL 34 -0.156 6.578 2.789 262 3HG1 VAL 34 3HG1 VAL 34 -1.196 5.745 1.615 263 1HG2 VAL 34 1HG2 VAL 34 -2.720 4.738 3.285 264 2HG2 VAL 34 2HG2 VAL 34 -1.503 5.270 4.439 265 3HG2 VAL 34 3HG2 VAL 34 -3.195 5.672 4.723 266 H THR 35 H THR 35 0.168 9.272 3.717 267 HA THR 35 HA THR 35 -1.066 11.603 2.309 268 HB THR 35 HB THR 35 1.218 11.359 4.171 269 HG1 THR 35 1HG THR 35 -1.148 12.921 4.203 270 1HG2 THR 35 1HG2 THR 35 0.439 13.697 2.392 271 2HG2 THR 35 2HG2 THR 35 1.353 13.892 3.906 272 3HG2 THR 35 3HG2 THR 35 2.035 12.927 2.587 273 H ASP 36 H ASP 36 1.515 9.098 2.079 274 HA ASP 36 HA ASP 36 1.308 9.616 -0.720 275 1HB ASP 36 2HB ASP 36 3.508 10.879 0.402 276 2HB ASP 36 3HB ASP 36 4.195 9.329 -0.114 277 H ALA 37 H ALA 37 2.475 7.980 -1.989 278 HA ALA 37 HA ALA 37 2.899 5.401 -0.627 279 1HB ALA 37 1HB ALA 37 0.389 5.613 -0.633 280 2HB ALA 37 2HB ALA 37 0.442 5.683 -2.410 281 3HB ALA 37 3HB ALA 37 0.982 4.228 -1.551 282 H ASN 38 H ASN 38 4.105 3.912 -1.778 283 HA ASN 38 HA ASN 38 4.760 4.558 -4.595 284 1HB ASN 38 2HB ASN 38 7.259 4.370 -3.282 285 2HB ASN 38 3HB ASN 38 6.544 5.756 -4.087 286 1HD2 ASN 38 1HD2 ASN 38 5.916 4.190 -0.864 287 2HD2 ASN 38 2HD2 ASN 38 6.228 5.680 0.023 288 H VAL 39 H VAL 39 4.794 2.622 -5.565 289 HA VAL 39 HA VAL 39 5.233 0.218 -3.959 290 HB VAL 39 HB VAL 39 3.215 0.545 -5.269 291 1HG1 VAL 39 1HG1 VAL 39 3.148 0.242 -7.661 292 2HG1 VAL 39 2HG1 VAL 39 4.125 1.672 -7.306 293 3HG1 VAL 39 3HG1 VAL 39 4.880 0.140 -7.799 294 1HG2 VAL 39 1HG2 VAL 39 4.556 -1.831 -6.470 295 2HG2 VAL 39 2HG2 VAL 39 4.408 -1.730 -4.699 296 3HG2 VAL 39 3HG2 VAL 39 2.961 -1.648 -5.700 297 H ASN 40 H ASN 40 7.373 -0.220 -3.670 298 HA ASN 40 HA ASN 40 9.293 0.316 -5.843 299 1HB ASN 40 2HB ASN 40 9.733 0.880 -3.447 300 2HB ASN 40 3HB ASN 40 9.750 -0.850 -3.074 301 1HD2 ASN 40 1HD2 ASN 40 12.002 0.321 -2.379 302 2HD2 ASN 40 2HD2 ASN 40 13.279 0.103 -3.565 303 H LEU 41 H LEU 41 7.654 -1.291 -6.925 304 HA LEU 41 HA LEU 41 7.950 -4.082 -6.346 305 1HB LEU 41 2HB LEU 41 6.257 -2.451 -7.936 306 2HB LEU 41 3HB LEU 41 7.028 -3.524 -9.081 307 HG LEU 41 HG LEU 41 4.806 -4.216 -8.128 308 1HD1 LEU 41 1HD1 LEU 41 7.112 -6.177 -7.823 309 2HD1 LEU 41 2HD1 LEU 41 5.395 -6.610 -7.950 310 3HD1 LEU 41 3HD1 LEU 41 6.212 -5.817 -9.309 311 1HD2 LEU 41 1HD2 LEU 41 5.535 -3.660 -5.660 312 2HD2 LEU 41 2HD2 LEU 41 4.482 -5.047 -6.002 313 3HD2 LEU 41 3HD2 LEU 41 6.198 -5.297 -5.676 314 H ALA 42 H ALA 42 9.848 -1.852 -8.138 315 HA ALA 42 HA ALA 42 11.457 -3.434 -9.779 316 1HB ALA 42 1HB ALA 42 13.256 -1.868 -9.199 317 2HB ALA 42 2HB ALA 42 11.733 -0.985 -9.456 318 3HB ALA 42 3HB ALA 42 12.331 -1.289 -7.804 319 H THR 43 H THR 43 11.330 -3.319 -6.188 320 HA THR 43 HA THR 43 13.117 -5.697 -6.189 321 HB THR 43 HB THR 43 14.281 -3.703 -5.436 322 HG1 THR 43 1HG THR 43 15.107 -4.750 -3.556 323 1HG2 THR 43 1HG2 THR 43 12.304 -2.679 -4.166 324 2HG2 THR 43 2HG2 THR 43 12.655 -3.832 -2.868 325 3HG2 THR 43 3HG2 THR 43 13.872 -2.640 -3.341 326 H GLU 44 H GLU 44 10.347 -5.686 -6.577 327 HA GLU 44 HA GLU 44 8.319 -6.320 -5.782 328 1HB GLU 44 2HB GLU 44 10.214 -8.426 -4.682 329 2HB GLU 44 3HB GLU 44 8.456 -8.610 -4.807 330 1HG GLU 44 2HG GLU 44 8.601 -8.117 -7.274 331 2HG GLU 44 3HG GLU 44 10.366 -8.195 -7.132 332 H THR 45 H THR 45 9.166 -4.217 -4.088 333 HA THR 45 HA THR 45 8.045 -5.034 -1.441 334 HB THR 45 HB THR 45 10.232 -3.035 -2.191 335 HG1 THR 45 1HG THR 45 10.834 -5.286 -2.132 336 1HG2 THR 45 1HG2 THR 45 9.020 -3.743 0.504 337 2HG2 THR 45 2HG2 THR 45 10.538 -2.845 0.286 338 3HG2 THR 45 3HG2 THR 45 9.021 -2.141 -0.291 339 H VAL 46 H VAL 46 6.775 -3.250 -0.427 340 HA VAL 46 HA VAL 46 6.119 -0.992 -2.251 341 HB VAL 46 HB VAL 46 4.303 -2.532 -2.495 342 1HG1 VAL 46 1HG1 VAL 46 4.067 -2.473 0.542 343 2HG1 VAL 46 2HG1 VAL 46 2.838 -3.138 -0.546 344 3HG1 VAL 46 3HG1 VAL 46 4.433 -3.895 -0.456 345 1HG2 VAL 46 1HG2 VAL 46 3.827 -0.060 -2.284 346 2HG2 VAL 46 2HG2 VAL 46 2.513 -1.198 -1.944 347 3HG2 VAL 46 3HG2 VAL 46 3.326 -0.368 -0.606 348 H ASN 47 H ASN 47 5.695 1.017 -1.205 349 HA ASN 47 HA ASN 47 6.307 1.054 1.678 350 1HB ASN 47 2HB ASN 47 7.556 2.654 -0.600 351 2HB ASN 47 3HB ASN 47 7.452 3.327 1.029 352 1HD2 ASN 47 1HD2 ASN 47 8.269 1.805 2.845 353 2HD2 ASN 47 2HD2 ASN 47 9.887 1.214 2.500 354 H VAL 48 H VAL 48 5.085 2.646 2.829 355 HA VAL 48 HA VAL 48 3.244 4.296 1.233 356 HB VAL 48 HB VAL 48 2.258 2.460 3.450 357 1HG1 VAL 48 1HG1 VAL 48 0.827 4.370 1.538 358 2HG1 VAL 48 2HG1 VAL 48 0.040 3.329 2.734 359 3HG1 VAL 48 3HG1 VAL 48 1.075 4.659 3.269 360 1HG2 VAL 48 1HG2 VAL 48 2.662 1.132 1.399 361 2HG2 VAL 48 2HG2 VAL 48 0.926 1.387 1.614 362 3HG2 VAL 48 3HG2 VAL 48 1.817 2.351 0.425 363 H ILE 49 H ILE 49 3.132 6.257 2.066 364 HA ILE 49 HA ILE 49 4.753 6.787 4.453 365 HB ILE 49 HB ILE 49 3.941 8.759 2.284 366 1HG1 ILE 49 2HG1 ILE 49 5.098 7.079 1.056 367 2HG1 ILE 49 3HG1 ILE 49 6.115 8.500 1.237 368 1HG2 ILE 49 1HG2 ILE 49 5.940 9.990 3.105 369 2HG2 ILE 49 2HG2 ILE 49 4.675 9.799 4.327 370 3HG2 ILE 49 3HG2 ILE 49 6.124 8.784 4.397 371 1HD1 ILE 49 1HD1 ILE 49 7.377 7.371 3.062 372 2HD1 ILE 49 2HD1 ILE 49 6.409 5.899 2.791 373 3HD1 ILE 49 3HD1 ILE 49 7.472 6.518 1.519 374 H TYR 50 H TYR 50 3.275 6.860 6.190 375 HA TYR 50 HA TYR 50 0.772 8.466 5.835 376 1HB TYR 50 2HB TYR 50 -0.596 6.705 6.702 377 2HB TYR 50 3HB TYR 50 0.256 6.182 5.270 378 HD1 TYR 50 HD1 TYR 50 0.013 5.825 8.952 379 HD2 TYR 50 HD2 TYR 50 1.810 4.276 5.364 380 HE1 TYR 50 HE1 TYR 50 0.436 3.665 10.077 381 HE2 TYR 50 HE2 TYR 50 1.946 2.045 6.393 382 HH TYR 50 HH TYR 50 1.399 0.764 8.254 383 H ASP 51 H ASP 51 -0.408 8.723 7.813 384 HA ASP 51 HA ASP 51 1.460 9.444 10.007 385 1HB ASP 51 2HB ASP 51 -0.065 11.143 9.465 386 2HB ASP 51 3HB ASP 51 -1.446 10.047 9.545 387 HA PRO 52 HA PRO 52 0.234 5.420 11.675 388 1HB PRO 52 2HB PRO 52 2.146 5.027 13.525 389 2HB PRO 52 3HB PRO 52 2.495 4.990 11.776 390 1HG PRO 52 2HG PRO 52 2.813 7.361 13.662 391 2HG PRO 52 3HG PRO 52 4.049 6.685 12.559 392 1HD PRO 52 2HD PRO 52 2.486 8.805 11.867 393 2HD PRO 52 3HD PRO 52 2.960 7.566 10.665 394 H ALA 53 H ALA 53 -0.345 8.496 13.008 395 HA ALA 53 HA ALA 53 -1.401 7.454 15.571 396 1HB ALA 53 1HB ALA 53 -1.633 10.180 14.238 397 2HB ALA 53 2HB ALA 53 -2.104 9.754 15.893 398 3HB ALA 53 3HB ALA 53 -0.387 9.738 15.429 399 H GLU 54 H GLU 54 -2.226 8.022 12.198 400 HA GLU 54 HA GLU 54 -5.095 8.126 12.836 401 1HB GLU 54 2HB GLU 54 -3.613 9.877 11.462 402 2HB GLU 54 3HB GLU 54 -4.017 8.830 10.105 403 1HG GLU 54 2HG GLU 54 -6.181 9.897 11.981 404 2HG GLU 54 3HG GLU 54 -5.460 10.927 10.747 405 H THR 55 H THR 55 -2.796 6.785 10.501 406 HA THR 55 HA THR 55 -4.322 4.260 10.393 407 HB THR 55 HB THR 55 -2.710 3.834 8.263 408 HG1 THR 55 1HG THR 55 -3.061 6.613 8.443 409 1HG2 THR 55 1HG2 THR 55 -4.586 4.616 6.936 410 2HG2 THR 55 2HG2 THR 55 -5.112 3.681 8.362 411 3HG2 THR 55 3HG2 THR 55 -5.275 5.471 8.343 412 H GLY 56 H GLY 56 -2.474 2.550 9.710 413 1HA GLY 56 2HA GLY 56 -0.438 1.754 11.297 414 2HA GLY 56 3HA GLY 56 -1.789 1.965 12.440 415 H THR 57 H THR 57 -0.814 0.539 9.610 416 HA THR 57 HA THR 57 -1.654 -0.232 7.890 417 HB THR 57 HB THR 57 0.047 -1.551 7.929 418 HG1 THR 57 1HG THR 57 -1.928 -2.918 7.244 419 1HG2 THR 57 1HG2 THR 57 -1.005 -2.621 10.537 420 2HG2 THR 57 2HG2 THR 57 0.475 -3.236 9.747 421 3HG2 THR 57 3HG2 THR 57 0.383 -1.533 10.249 422 H ALA 58 H ALA 58 -3.754 -1.185 10.416 423 HA ALA 58 HA ALA 58 -5.859 -2.556 9.604 424 1HB ALA 58 1HB ALA 58 -5.730 0.332 10.486 425 2HB ALA 58 2HB ALA 58 -7.194 -0.690 10.594 426 3HB ALA 58 3HB ALA 58 -5.735 -1.086 11.538 427 H ALA 59 H ALA 59 -5.237 0.690 8.202 428 HA ALA 59 HA ALA 59 -7.832 0.416 6.765 429 1HB ALA 59 1HB ALA 59 -7.178 2.598 7.739 430 2HB ALA 59 2HB ALA 59 -5.801 2.632 6.604 431 3HB ALA 59 3HB ALA 59 -7.466 2.677 5.989 432 H ILE 60 H ILE 60 -4.414 0.578 6.159 433 HA ILE 60 HA ILE 60 -4.170 0.229 3.398 434 HB ILE 60 HB ILE 60 -2.573 -0.299 5.860 435 1HG1 ILE 60 2HG1 ILE 60 -1.735 0.855 3.265 436 2HG1 ILE 60 3HG1 ILE 60 -2.867 1.779 4.251 437 1HG2 ILE 60 1HG2 ILE 60 -1.770 -1.525 3.200 438 2HG2 ILE 60 2HG2 ILE 60 -0.699 -1.252 4.594 439 3HG2 ILE 60 3HG2 ILE 60 -2.042 -2.383 4.738 440 1HD1 ILE 60 1HD1 ILE 60 -1.332 1.724 6.190 441 2HD1 ILE 60 2HD1 ILE 60 -0.098 0.924 5.186 442 3HD1 ILE 60 3HD1 ILE 60 -0.648 2.570 4.800 443 H GLN 61 H GLN 61 -4.454 -2.433 5.846 444 HA GLN 61 HA GLN 61 -4.586 -4.400 3.822 445 1HB GLN 61 2HB GLN 61 -4.769 -4.355 6.649 446 2HB GLN 61 3HB GLN 61 -6.183 -5.220 6.051 447 1HG GLN 61 2HG GLN 61 -4.914 -7.042 5.941 448 2HG GLN 61 3HG GLN 61 -4.085 -6.362 4.551 449 1HE2 GLN 61 1HE2 GLN 61 -2.310 -4.602 5.324 450 2HE2 GLN 61 2HE2 GLN 61 -1.353 -5.084 6.719 451 H GLU 62 H GLU 62 -7.229 -2.615 5.470 452 HA GLU 62 HA GLU 62 -9.456 -3.811 4.341 453 1HB GLU 62 2HB GLU 62 -9.096 -1.768 6.025 454 2HB GLU 62 3HB GLU 62 -9.413 -0.783 4.606 455 1HG GLU 62 2HG GLU 62 -11.248 -2.978 5.675 456 2HG GLU 62 3HG GLU 62 -11.385 -1.274 6.099 457 H LYS 63 H LYS 63 -7.669 -0.991 2.961 458 HA LYS 63 HA LYS 63 -9.111 -1.013 0.446 459 1HB LYS 63 2HB LYS 63 -6.669 0.356 1.624 460 2HB LYS 63 3HB LYS 63 -7.132 0.534 -0.038 461 1HG LYS 63 2HG LYS 63 -8.775 1.375 2.396 462 2HG LYS 63 3HG LYS 63 -7.945 2.419 1.229 463 1HD LYS 63 2HD LYS 63 -10.075 2.660 0.451 464 2HD LYS 63 3HD LYS 63 -9.464 1.355 -0.557 465 1HE LYS 63 2HE LYS 63 -11.383 0.283 0.066 466 2HE LYS 63 3HE LYS 63 -10.504 -0.099 1.559 467 1HZ LYS 63 1HZ LYS 63 -12.612 1.800 1.304 468 2HZ LYS 63 2HZ LYS 63 -12.239 0.613 2.427 469 3HZ LYS 63 3HZ LYS 63 -11.423 2.014 2.444 470 H ILE 64 H ILE 64 -6.020 -2.450 1.469 471 HA ILE 64 HA ILE 64 -5.014 -3.114 -0.990 472 HB ILE 64 HB ILE 64 -4.827 -4.035 1.762 473 1HG1 ILE 64 2HG1 ILE 64 -3.350 -2.384 0.566 474 2HG1 ILE 64 3HG1 ILE 64 -2.554 -3.656 1.484 475 1HG2 ILE 64 1HG2 ILE 64 -5.174 -6.207 1.086 476 2HG2 ILE 64 2HG2 ILE 64 -4.146 -6.013 -0.359 477 3HG2 ILE 64 3HG2 ILE 64 -3.434 -6.000 1.278 478 1HD1 ILE 64 1HD1 ILE 64 -2.133 -4.944 -0.529 479 2HD1 ILE 64 2HD1 ILE 64 -2.985 -3.751 -1.529 480 3HD1 ILE 64 3HD1 ILE 64 -1.478 -3.300 -0.697 481 H GLU 65 H GLU 65 -7.250 -4.953 1.170 482 HA GLU 65 HA GLU 65 -7.966 -7.060 -0.579 483 1HB GLU 65 2HB GLU 65 -9.268 -5.762 1.839 484 2HB GLU 65 3HB GLU 65 -10.075 -7.069 0.971 485 1HG GLU 65 2HG GLU 65 -7.220 -7.415 1.896 486 2HG GLU 65 3HG GLU 65 -8.574 -7.662 3.003 487 H LYS 66 H LYS 66 -9.861 -4.060 0.161 488 HA LYS 66 HA LYS 66 -11.919 -4.621 -1.647 489 1HB LYS 66 2HB LYS 66 -11.022 -2.315 -0.134 490 2HB LYS 66 3HB LYS 66 -11.679 -1.798 -1.673 491 1HG LYS 66 2HG LYS 66 -13.817 -2.375 -1.167 492 2HG LYS 66 3HG LYS 66 -13.364 -3.863 -0.305 493 1HD LYS 66 2HD LYS 66 -12.483 -2.581 1.548 494 2HD LYS 66 3HD LYS 66 -12.965 -1.072 0.767 495 1HE LYS 66 2HE LYS 66 -14.703 -1.313 2.228 496 2HE LYS 66 3HE LYS 66 -15.401 -2.069 0.783 497 1HZ LYS 66 1HZ LYS 66 -15.710 -3.375 2.806 498 2HZ LYS 66 2HZ LYS 66 -14.684 -4.214 1.813 499 3HZ LYS 66 3HZ LYS 66 -14.092 -3.342 3.088 500 H LEU 67 H LEU 67 -8.850 -3.006 -2.341 501 HA LEU 67 HA LEU 67 -9.477 -2.277 -5.058 502 1HB LEU 67 2HB LEU 67 -6.911 -2.528 -3.467 503 2HB LEU 67 3HB LEU 67 -6.918 -2.051 -5.160 504 HG LEU 67 HG LEU 67 -8.705 -0.563 -3.208 505 1HD1 LEU 67 1HD1 LEU 67 -6.523 -0.451 -2.138 506 2HD1 LEU 67 2HD1 LEU 67 -5.750 -0.085 -3.667 507 3HD1 LEU 67 3HD1 LEU 67 -6.851 1.097 -2.928 508 1HD2 LEU 67 1HD2 LEU 67 -8.352 1.273 -4.820 509 2HD2 LEU 67 2HD2 LEU 67 -7.242 0.262 -5.763 510 3HD2 LEU 67 3HD2 LEU 67 -8.962 -0.156 -5.664 511 H GLY 68 H GLY 68 -8.724 -5.298 -3.561 512 1HA GLY 68 2HA GLY 68 -9.073 -7.324 -4.591 513 2HA GLY 68 3HA GLY 68 -8.799 -6.620 -6.190 514 H TYR 69 H TYR 69 -6.737 -6.417 -3.212 515 HA TYR 69 HA TYR 69 -4.602 -7.986 -4.577 516 1HB TYR 69 2HB TYR 69 -4.742 -5.115 -4.189 517 2HB TYR 69 3HB TYR 69 -3.485 -5.755 -3.155 518 HD1 TYR 69 HD1 TYR 69 -4.773 -5.828 -6.676 519 HD2 TYR 69 HD2 TYR 69 -1.399 -6.465 -4.072 520 HE1 TYR 69 HE1 TYR 69 -3.284 -5.887 -8.626 521 HE2 TYR 69 HE2 TYR 69 0.104 -6.297 -5.990 522 HH TYR 69 HH TYR 69 0.290 -6.046 -8.248 523 H HIS 70 H HIS 70 -2.691 -8.198 -2.906 524 HA HIS 70 HA HIS 70 -3.650 -8.315 -0.138 525 1HB HIS 70 2HB HIS 70 -4.126 -10.525 -1.310 526 2HB HIS 70 3HB HIS 70 -2.385 -10.730 -1.486 527 HD1 HIS 70 1HD HIS 70 -2.996 -13.010 -0.011 528 HD2 HIS 70 2HD HIS 70 -3.574 -9.314 1.912 529 HE1 HIS 70 1HE HIS 70 -3.288 -13.504 2.474 530 H VAL 71 H VAL 71 -1.893 -8.265 1.360 531 HA VAL 71 HA VAL 71 0.790 -7.608 0.268 532 HB VAL 71 HB VAL 71 -1.051 -6.040 1.977 533 1HG1 VAL 71 1HG1 VAL 71 1.829 -6.254 2.916 534 2HG1 VAL 71 2HG1 VAL 71 0.604 -5.084 3.452 535 3HG1 VAL 71 3HG1 VAL 71 0.390 -6.794 3.819 536 1HG2 VAL 71 1HG2 VAL 71 1.565 -5.208 0.673 537 2HG2 VAL 71 2HG2 VAL 71 0.046 -5.340 -0.215 538 3HG2 VAL 71 3HG2 VAL 71 0.194 -4.187 1.128 539 H VAL 72 H VAL 72 2.501 -8.237 1.696 540 HA VAL 72 HA VAL 72 1.809 -10.394 3.627 541 HB VAL 72 HB VAL 72 3.988 -10.495 1.600 542 1HG1 VAL 72 1HG1 VAL 72 4.686 -11.621 3.660 543 2HG1 VAL 72 2HG1 VAL 72 3.142 -12.502 3.725 544 3HG1 VAL 72 3HG1 VAL 72 4.310 -12.826 2.430 545 1HG2 VAL 72 1HG2 VAL 72 2.711 -12.454 0.698 546 2HG2 VAL 72 2HG2 VAL 72 1.392 -12.076 1.824 547 3HG2 VAL 72 3HG2 VAL 72 1.820 -10.936 0.532 548 H ILE 73 H ILE 73 3.180 -10.524 5.357 549 HA ILE 73 HA ILE 73 4.805 -8.067 5.921 550 HB ILE 73 HB ILE 73 3.146 -9.654 7.877 551 1HG1 ILE 73 2HG1 ILE 73 1.621 -8.504 6.381 552 2HG1 ILE 73 3HG1 ILE 73 1.690 -7.756 7.967 553 1HG2 ILE 73 1HG2 ILE 73 5.042 -8.608 8.985 554 2HG2 ILE 73 2HG2 ILE 73 4.793 -7.091 8.118 555 3HG2 ILE 73 3HG2 ILE 73 3.613 -7.638 9.328 556 1HD1 ILE 73 1HD1 ILE 73 1.549 -6.046 6.260 557 2HD1 ILE 73 2HD1 ILE 73 3.111 -5.922 7.081 558 3HD1 ILE 73 3HD1 ILE 73 3.003 -6.658 5.466 559 H GLU 74 H GLU 74 6.644 -9.428 4.969 560 HA GLU 74 HA GLU 74 7.564 -11.560 6.497 561 1HB GLU 74 2HB GLU 74 8.822 -9.760 4.413 562 2HB GLU 74 3HB GLU 74 9.702 -11.056 5.198 563 1HG GLU 74 2HG GLU 74 7.920 -12.682 4.461 564 2HG GLU 74 3HG GLU 74 7.226 -11.388 3.466 565 H GLY 75 H GLY 75 7.374 -8.485 7.377 566 1HA GLY 75 2HA GLY 75 8.280 -7.164 9.081 567 2HA GLY 75 3HA GLY 75 8.920 -8.668 9.764 568 H ARG 76 H ARG 76 9.579 -6.043 7.383 569 HA ARG 76 HA ARG 76 12.431 -6.737 7.289 570 1HB ARG 76 2HB ARG 76 10.876 -7.889 5.534 571 2HB ARG 76 3HB ARG 76 10.669 -6.286 4.838 572 1HG ARG 76 2HG ARG 76 13.298 -7.820 5.162 573 2HG ARG 76 3HG ARG 76 12.304 -7.749 3.704 574 1HD ARG 76 2HD ARG 76 13.811 -6.090 3.141 575 2HD ARG 76 3HD ARG 76 12.571 -5.138 3.937 576 HE ARG 76 HE ARG 76 13.898 -4.746 5.759 577 1HH1 ARG 76 2HH2 ARG 76 15.330 -7.349 3.920 578 2HH1 ARG 76 1HH2 ARG 76 16.918 -7.247 4.622 579 1HH2 ARG 76 2HH1 ARG 76 15.965 -4.488 6.699 580 2HH2 ARG 76 1HH1 ARG 76 17.293 -5.540 6.287 Start of MODEL 29 1 1H MET 1 H1 MET 1 4.277 16.143 15.448 2 2H MET 1 H2 MET 1 5.076 16.112 16.886 3 3H MET 1 H3 MET 1 3.833 15.148 16.612 4 HA MET 1 HA MET 1 3.052 17.020 17.981 5 1HB MET 1 2HB MET 1 4.694 18.557 15.971 6 2HB MET 1 3HB MET 1 3.252 19.344 16.621 7 1HG MET 1 2HG MET 1 4.010 19.075 18.893 8 2HG MET 1 3HG MET 1 5.519 18.323 18.337 9 1HE MET 1 1HE MET 1 6.662 20.273 19.935 10 2HE MET 1 2HE MET 1 6.427 22.010 19.625 11 3HE MET 1 3HE MET 1 5.075 21.031 20.236 12 H LEU 2 H LEU 2 2.756 18.393 14.729 13 HA LEU 2 HA LEU 2 -0.040 17.599 14.367 14 1HB LEU 2 2HB LEU 2 2.027 19.200 12.940 15 2HB LEU 2 3HB LEU 2 1.169 18.117 11.859 16 HG LEU 2 HG LEU 2 -1.007 19.013 12.659 17 1HD1 LEU 2 1HD1 LEU 2 -1.013 21.159 13.912 18 2HD1 LEU 2 2HD1 LEU 2 -0.327 19.858 14.896 19 3HD1 LEU 2 3HD1 LEU 2 0.747 21.044 14.127 20 1HD2 LEU 2 1HD2 LEU 2 -0.810 21.141 11.435 21 2HD2 LEU 2 2HD2 LEU 2 0.960 21.082 11.585 22 3HD2 LEU 2 3HD2 LEU 2 0.105 19.861 10.618 23 H SER 3 H SER 3 -0.450 16.210 12.249 24 HA SER 3 HA SER 3 0.128 13.644 12.421 25 1HB SER 3 2HB SER 3 0.090 15.212 9.797 26 2HB SER 3 3HB SER 3 -0.396 13.534 10.031 27 HG SER 3 HG SER 3 -2.102 14.223 11.286 28 H GLU 4 H GLU 4 2.068 12.698 12.796 29 HA GLU 4 HA GLU 4 4.520 13.588 11.435 30 1HB GLU 4 2HB GLU 4 3.832 11.556 13.500 31 2HB GLU 4 3HB GLU 4 5.403 11.646 12.768 32 1HG GLU 4 2HG GLU 4 5.817 13.782 13.565 33 2HG GLU 4 3HG GLU 4 4.128 14.045 13.981 34 H GLN 5 H GLN 5 5.614 11.864 10.114 35 HA GLN 5 HA GLN 5 3.682 10.066 8.729 36 1HB GLN 5 2HB GLN 5 5.673 12.009 7.554 37 2HB GLN 5 3HB GLN 5 4.966 10.696 6.621 38 1HG GLN 5 2HG GLN 5 3.146 12.662 8.101 39 2HG GLN 5 3HG GLN 5 3.858 13.065 6.552 40 1HE2 GLN 5 1HE2 GLN 5 3.598 11.348 4.832 41 2HE2 GLN 5 2HE2 GLN 5 2.147 10.356 4.764 42 H LYS 6 H LYS 6 4.586 8.146 7.960 43 HA LYS 6 HA LYS 6 7.455 7.717 8.242 44 1HB LYS 6 2HB LYS 6 6.566 7.096 10.401 45 2HB LYS 6 3HB LYS 6 5.348 6.024 9.658 46 1HG LYS 6 2HG LYS 6 7.113 4.606 8.800 47 2HG LYS 6 3HG LYS 6 8.360 5.758 9.353 48 1HD LYS 6 2HD LYS 6 7.579 5.354 11.716 49 2HD LYS 6 3HD LYS 6 6.444 4.144 11.093 50 1HE LYS 6 2HE LYS 6 8.617 3.073 9.981 51 2HE LYS 6 3HE LYS 6 9.495 4.125 11.092 52 1HZ LYS 6 1HZ LYS 6 9.269 2.138 12.205 53 2HZ LYS 6 2HZ LYS 6 8.043 3.025 12.852 54 3HZ LYS 6 3HZ LYS 6 7.722 1.879 11.712 55 H GLU 7 H GLU 7 8.128 5.906 7.201 56 HA GLU 7 HA GLU 7 6.647 5.200 4.745 57 1HB GLU 7 2HB GLU 7 9.609 4.929 4.815 58 2HB GLU 7 3HB GLU 7 8.522 5.525 3.585 59 1HG GLU 7 2HG GLU 7 9.825 7.364 4.150 60 2HG GLU 7 3HG GLU 7 8.382 7.687 5.110 61 H ILE 8 H ILE 8 5.721 3.258 5.502 62 HA ILE 8 HA ILE 8 7.434 1.322 6.910 63 HB ILE 8 HB ILE 8 4.601 1.186 6.039 64 1HG1 ILE 8 2HG1 ILE 8 4.753 3.054 7.617 65 2HG1 ILE 8 3HG1 ILE 8 3.834 1.673 8.232 66 1HG2 ILE 8 1HG2 ILE 8 6.338 -0.446 7.802 67 2HG2 ILE 8 2HG2 ILE 8 4.546 -0.560 7.864 68 3HG2 ILE 8 3HG2 ILE 8 5.410 -0.947 6.360 69 1HD1 ILE 8 1HD1 ILE 8 5.674 0.867 9.493 70 2HD1 ILE 8 2HD1 ILE 8 6.723 2.152 8.838 71 3HD1 ILE 8 3HD1 ILE 8 5.347 2.563 9.913 72 H ALA 9 H ALA 9 7.450 -0.898 5.909 73 HA ALA 9 HA ALA 9 7.475 -0.924 2.955 74 1HB ALA 9 1HB ALA 9 9.626 -2.097 2.968 75 2HB ALA 9 2HB ALA 9 9.824 -0.504 3.730 76 3HB ALA 9 3HB ALA 9 9.726 -1.959 4.736 77 H MET 10 H MET 10 6.584 -2.894 2.224 78 HA MET 10 HA MET 10 6.707 -5.270 3.889 79 1HB MET 10 2HB MET 10 4.265 -5.622 4.005 80 2HB MET 10 3HB MET 10 4.821 -4.300 5.013 81 1HG MET 10 2HG MET 10 3.691 -3.880 2.248 82 2HG MET 10 3HG MET 10 2.662 -3.996 3.668 83 1HE MET 10 1HE MET 10 1.979 -2.191 5.190 84 2HE MET 10 2HE MET 10 3.562 -2.458 5.959 85 3HE MET 10 3HE MET 10 3.005 -0.802 5.600 86 H GLN 11 H GLN 11 5.287 -7.075 2.674 87 HA GLN 11 HA GLN 11 6.455 -7.081 -0.071 88 1HB GLN 11 2HB GLN 11 6.031 -9.050 2.124 89 2HB GLN 11 3HB GLN 11 5.529 -9.641 0.548 90 1HG GLN 11 2HG GLN 11 8.222 -8.338 0.564 91 2HG GLN 11 3HG GLN 11 8.057 -9.808 1.517 92 1HE2 GLN 11 1HE2 GLN 11 8.176 -8.573 -1.791 93 2HE2 GLN 11 2HE2 GLN 11 7.997 -10.148 -2.540 94 H VAL 12 H VAL 12 5.120 -8.343 -1.727 95 HA VAL 12 HA VAL 12 2.239 -7.557 -1.503 96 HB VAL 12 HB VAL 12 4.063 -7.221 -3.917 97 1HG1 VAL 12 1HG1 VAL 12 1.724 -7.571 -4.568 98 2HG1 VAL 12 2HG1 VAL 12 1.180 -6.370 -3.373 99 3HG1 VAL 12 3HG1 VAL 12 2.139 -5.869 -4.780 100 1HG2 VAL 12 1HG2 VAL 12 2.996 -5.166 -1.937 101 2HG2 VAL 12 2HG2 VAL 12 4.707 -5.561 -2.229 102 3HG2 VAL 12 3HG2 VAL 12 3.761 -4.768 -3.487 103 H SER 13 H SER 13 0.754 -8.941 -2.519 104 HA SER 13 HA SER 13 1.811 -11.314 -3.988 105 1HB SER 13 2HB SER 13 -0.333 -11.219 -1.825 106 2HB SER 13 3HB SER 13 -0.094 -12.599 -2.915 107 HG SER 13 HG SER 13 2.194 -11.650 -1.680 108 H GLY 14 H GLY 14 -0.095 -12.284 -5.306 109 1HA GLY 14 2HA GLY 14 -1.874 -12.025 -6.750 110 2HA GLY 14 3HA GLY 14 -2.216 -10.426 -6.083 111 H MET 15 H MET 15 0.397 -9.289 -6.514 112 HA MET 15 HA MET 15 0.227 -8.098 -8.886 113 1HB MET 15 2HB MET 15 2.615 -7.532 -8.754 114 2HB MET 15 3HB MET 15 1.764 -7.378 -7.233 115 1HG MET 15 2HG MET 15 3.753 -8.363 -6.573 116 2HG MET 15 3HG MET 15 2.692 -9.764 -6.672 117 1HE MET 15 1HE MET 15 6.200 -11.209 -7.622 118 2HE MET 15 2HE MET 15 5.836 -9.961 -6.412 119 3HE MET 15 3HE MET 15 4.775 -11.382 -6.574 120 H THR 16 H THR 16 0.868 -8.168 -10.900 121 HA THR 16 HA THR 16 2.420 -10.351 -12.109 122 HB THR 16 HB THR 16 0.416 -10.434 -13.863 123 HG1 THR 16 1HG THR 16 -1.011 -10.017 -11.451 124 1HG2 THR 16 1HG2 THR 16 0.170 -11.984 -11.249 125 2HG2 THR 16 2HG2 THR 16 -0.525 -12.408 -12.821 126 3HG2 THR 16 3HG2 THR 16 1.234 -12.408 -12.607 127 H CYS 17 H CYS 17 0.070 -7.824 -12.986 128 HA CYS 17 HA CYS 17 1.418 -6.820 -15.209 129 1HB CYS 17 2HB CYS 17 -0.352 -5.187 -13.351 130 2HB CYS 17 3HB CYS 17 -0.082 -4.918 -15.079 131 H ALA 18 H ALA 18 2.071 -6.145 -11.858 132 HA ALA 18 HA ALA 18 3.439 -4.797 -10.717 133 1HB ALA 18 1HB ALA 18 5.382 -3.760 -11.676 134 2HB ALA 18 2HB ALA 18 5.208 -5.396 -12.334 135 3HB ALA 18 3HB ALA 18 4.786 -3.984 -13.325 136 H ALA 19 H ALA 19 2.621 -3.041 -13.742 137 HA ALA 19 HA ALA 19 2.373 -0.456 -12.742 138 1HB ALA 19 1HB ALA 19 0.655 -1.805 -14.870 139 2HB ALA 19 2HB ALA 19 0.860 -0.054 -14.649 140 3HB ALA 19 3HB ALA 19 2.243 -1.055 -15.126 141 H CYS 20 H CYS 20 -0.201 -2.972 -12.806 142 HA CYS 20 HA CYS 20 -2.219 -1.448 -11.625 143 1HB CYS 20 2HB CYS 20 -1.664 -4.437 -11.561 144 2HB CYS 20 3HB CYS 20 -3.166 -3.715 -10.961 145 H ALA 21 H ALA 21 0.570 -2.918 -10.045 146 HA ALA 21 HA ALA 21 -0.512 -2.723 -7.383 147 1HB ALA 21 1HB ALA 21 1.452 -4.175 -8.206 148 2HB ALA 21 2HB ALA 21 2.430 -2.698 -8.073 149 3HB ALA 21 3HB ALA 21 1.589 -3.366 -6.649 150 H ALA 22 H ALA 22 0.628 -0.320 -9.698 151 HA ALA 22 HA ALA 22 1.261 1.671 -7.645 152 1HB ALA 22 1HB ALA 22 1.244 3.261 -9.431 153 2HB ALA 22 2HB ALA 22 2.118 1.822 -9.997 154 3HB ALA 22 3HB ALA 22 0.452 2.133 -10.541 155 H ARG 23 H ARG 23 -1.539 0.659 -9.638 156 HA ARG 23 HA ARG 23 -3.269 2.809 -8.927 157 1HB ARG 23 2HB ARG 23 -3.900 -0.017 -9.847 158 2HB ARG 23 3HB ARG 23 -5.111 1.250 -9.643 159 1HG ARG 23 2HG ARG 23 -4.174 2.623 -11.361 160 2HG ARG 23 3HG ARG 23 -2.652 1.733 -11.350 161 1HD ARG 23 2HD ARG 23 -3.689 1.052 -13.313 162 2HD ARG 23 3HD ARG 23 -3.874 -0.302 -12.181 163 HE ARG 23 HE ARG 23 -6.190 1.347 -12.052 164 1HH1 ARG 23 2HH2 ARG 23 -4.565 -1.113 -14.014 165 2HH1 ARG 23 1HH2 ARG 23 -5.918 -1.437 -15.039 166 1HH2 ARG 23 2HH1 ARG 23 -8.068 0.867 -13.362 167 2HH2 ARG 23 1HH1 ARG 23 -7.977 -0.332 -14.610 168 H ILE 24 H ILE 24 -2.691 -0.401 -7.368 169 HA ILE 24 HA ILE 24 -4.657 0.051 -5.397 170 HB ILE 24 HB ILE 24 -3.898 -1.617 -4.072 171 1HG1 ILE 24 2HG1 ILE 24 -1.266 -1.258 -5.359 172 2HG1 ILE 24 3HG1 ILE 24 -1.689 -1.162 -3.640 173 1HG2 ILE 24 1HG2 ILE 24 -3.958 -3.403 -5.556 174 2HG2 ILE 24 2HG2 ILE 24 -4.760 -2.118 -6.452 175 3HG2 ILE 24 3HG2 ILE 24 -3.079 -2.544 -6.843 176 1HD1 ILE 24 1HD1 ILE 24 -1.454 -3.641 -5.371 177 2HD1 ILE 24 2HD1 ILE 24 -0.397 -3.169 -4.041 178 3HD1 ILE 24 3HD1 ILE 24 -2.073 -3.650 -3.694 179 H GLU 25 H GLU 25 -1.122 0.701 -5.001 180 HA GLU 25 HA GLU 25 -1.213 2.159 -2.668 181 1HB GLU 25 2HB GLU 25 0.523 2.195 -5.115 182 2HB GLU 25 3HB GLU 25 0.699 3.550 -3.995 183 1HG GLU 25 2HG GLU 25 2.246 1.590 -3.573 184 2HG GLU 25 3HG GLU 25 1.310 2.122 -2.182 185 H LYS 26 H LYS 26 -2.109 3.470 -5.879 186 HA LYS 26 HA LYS 26 -2.409 6.167 -4.750 187 1HB LYS 26 2HB LYS 26 -3.576 5.136 -7.345 188 2HB LYS 26 3HB LYS 26 -3.365 6.818 -6.854 189 1HG LYS 26 2HG LYS 26 -1.204 4.811 -7.523 190 2HG LYS 26 3HG LYS 26 -1.686 6.203 -8.474 191 1HD LYS 26 2HD LYS 26 -0.649 7.725 -6.904 192 2HD LYS 26 3HD LYS 26 -0.499 6.472 -5.667 193 1HE LYS 26 2HE LYS 26 1.670 6.909 -6.659 194 2HE LYS 26 3HE LYS 26 1.145 5.237 -6.868 195 1HZ LYS 26 1HZ LYS 26 2.118 6.129 -8.859 196 2HZ LYS 26 2HZ LYS 26 0.542 5.754 -9.126 197 3HZ LYS 26 3HZ LYS 26 0.998 7.328 -8.943 198 H GLY 27 H GLY 27 -4.769 3.574 -5.580 199 1HA GLY 27 2HA GLY 27 -7.077 5.038 -4.662 200 2HA GLY 27 3HA GLY 27 -6.933 3.285 -4.841 201 H LEU 28 H LEU 28 -4.584 3.147 -3.082 202 HA LEU 28 HA LEU 28 -5.816 2.783 -0.493 203 1HB LEU 28 2HB LEU 28 -4.096 1.397 -1.425 204 2HB LEU 28 3HB LEU 28 -2.931 2.720 -1.389 205 HG LEU 28 HG LEU 28 -4.316 1.791 1.131 206 1HD1 LEU 28 1HD1 LEU 28 -3.464 -0.192 0.039 207 2HD1 LEU 28 2HD1 LEU 28 -1.873 0.567 -0.186 208 3HD1 LEU 28 3HD1 LEU 28 -2.461 0.180 1.443 209 1HD2 LEU 28 1HD2 LEU 28 -2.192 2.632 2.144 210 2HD2 LEU 28 2HD2 LEU 28 -1.588 3.046 0.530 211 3HD2 LEU 28 3HD2 LEU 28 -2.990 3.890 1.220 212 H LYS 29 H LYS 29 -3.327 5.086 -1.745 213 HA LYS 29 HA LYS 29 -3.103 6.718 0.456 214 1HB LYS 29 2HB LYS 29 -1.726 6.904 -1.572 215 2HB LYS 29 3HB LYS 29 -3.104 7.570 -2.451 216 1HG LYS 29 2HG LYS 29 -2.849 9.238 -0.137 217 2HG LYS 29 3HG LYS 29 -1.228 8.857 -0.575 218 1HD LYS 29 2HD LYS 29 -3.207 9.789 -2.708 219 2HD LYS 29 3HD LYS 29 -2.477 10.949 -1.580 220 1HE LYS 29 2HE LYS 29 -0.306 10.484 -2.205 221 2HE LYS 29 3HE LYS 29 -0.695 9.014 -3.132 222 1HZ LYS 29 1HZ LYS 29 -0.045 10.924 -4.340 223 2HZ LYS 29 2HZ LYS 29 -1.613 10.542 -4.759 224 3HZ LYS 29 3HZ LYS 29 -1.288 11.831 -3.765 225 H ARG 30 H ARG 30 -5.796 6.691 -1.848 226 HA ARG 30 HA ARG 30 -6.958 9.123 -1.087 227 1HB ARG 30 2HB ARG 30 -7.729 6.787 -2.623 228 2HB ARG 30 3HB ARG 30 -9.103 7.295 -1.658 229 1HG ARG 30 2HG ARG 30 -7.447 9.122 -3.460 230 2HG ARG 30 3HG ARG 30 -8.937 8.299 -3.950 231 1HD ARG 30 2HD ARG 30 -10.191 9.453 -2.151 232 2HD ARG 30 3HD ARG 30 -8.722 10.338 -1.687 233 HE ARG 30 HE ARG 30 -9.181 10.709 -4.469 234 1HH1 ARG 30 2HH2 ARG 30 -10.528 11.631 -1.353 235 2HH1 ARG 30 1HH2 ARG 30 -11.237 13.120 -1.898 236 1HH2 ARG 30 2HH1 ARG 30 -10.107 12.684 -5.258 237 2HH2 ARG 30 1HH1 ARG 30 -10.981 13.729 -4.189 238 H MET 31 H MET 31 -6.626 6.390 1.001 239 HA MET 31 HA MET 31 -8.962 6.824 2.605 240 1HB MET 31 2HB MET 31 -7.937 5.284 4.147 241 2HB MET 31 3HB MET 31 -7.502 4.791 2.512 242 1HG MET 31 2HG MET 31 -5.271 5.798 2.795 243 2HG MET 31 3HG MET 31 -5.686 6.319 4.412 244 1HE MET 31 1HE MET 31 -5.457 1.879 3.338 245 2HE MET 31 2HE MET 31 -7.012 2.721 3.424 246 3HE MET 31 3HE MET 31 -5.787 3.180 2.193 247 HA PRO 32 HA PRO 32 -7.491 10.228 5.249 248 1HB PRO 32 2HB PRO 32 -8.404 9.473 7.727 249 2HB PRO 32 3HB PRO 32 -9.476 10.124 6.451 250 1HG PRO 32 2HG PRO 32 -8.956 7.209 7.106 251 2HG PRO 32 3HG PRO 32 -10.542 8.016 6.923 252 1HD PRO 32 2HD PRO 32 -9.460 6.642 4.889 253 2HD PRO 32 3HD PRO 32 -10.252 8.201 4.554 254 H GLY 33 H GLY 33 -5.527 10.502 6.317 255 1HA GLY 33 2HA GLY 33 -3.896 10.009 7.838 256 2HA GLY 33 3HA GLY 33 -4.379 8.320 7.893 257 H VAL 34 H VAL 34 -4.150 8.150 4.776 258 HA VAL 34 HA VAL 34 -1.174 7.984 4.675 259 HB VAL 34 HB VAL 34 -3.259 7.103 2.684 260 1HG1 VAL 34 1HG1 VAL 34 -1.113 7.591 1.569 261 2HG1 VAL 34 2HG1 VAL 34 -0.225 6.701 2.815 262 3HG1 VAL 34 3HG1 VAL 34 -1.296 5.838 1.701 263 1HG2 VAL 34 1HG2 VAL 34 -2.767 4.846 3.399 264 2HG2 VAL 34 2HG2 VAL 34 -1.543 5.377 4.535 265 3HG2 VAL 34 3HG2 VAL 34 -3.227 5.780 4.844 266 H THR 35 H THR 35 0.093 9.376 3.489 267 HA THR 35 HA THR 35 -1.377 11.584 2.107 268 HB THR 35 HB THR 35 0.455 11.781 4.201 269 HG1 THR 35 1HG THR 35 -0.530 13.681 2.361 270 1HG2 THR 35 1HG2 THR 35 1.690 12.917 1.647 271 2HG2 THR 35 2HG2 THR 35 2.228 13.191 3.313 272 3HG2 THR 35 3HG2 THR 35 2.365 11.573 2.603 273 H ASP 36 H ASP 36 1.400 9.278 1.776 274 HA ASP 36 HA ASP 36 0.829 9.268 -1.043 275 1HB ASP 36 2HB ASP 36 3.232 10.681 -0.105 276 2HB ASP 36 3HB ASP 36 3.611 9.342 -1.183 277 H ALA 37 H ALA 37 2.103 7.627 -2.180 278 HA ALA 37 HA ALA 37 3.017 5.431 -0.595 279 1HB ALA 37 1HB ALA 37 0.447 5.315 -0.331 280 2HB ALA 37 2HB ALA 37 0.392 4.927 -2.055 281 3HB ALA 37 3HB ALA 37 1.243 3.854 -0.912 282 H ASN 38 H ASN 38 3.942 3.690 -1.881 283 HA ASN 38 HA ASN 38 4.372 4.304 -4.737 284 1HB ASN 38 2HB ASN 38 6.997 4.253 -3.692 285 2HB ASN 38 3HB ASN 38 6.147 5.608 -4.411 286 1HD2 ASN 38 1HD2 ASN 38 5.892 4.013 -1.167 287 2HD2 ASN 38 2HD2 ASN 38 6.224 5.503 -0.284 288 H VAL 39 H VAL 39 4.449 2.331 -5.639 289 HA VAL 39 HA VAL 39 5.064 0.023 -3.974 290 HB VAL 39 HB VAL 39 3.052 0.211 -5.339 291 1HG1 VAL 39 1HG1 VAL 39 4.020 1.255 -7.410 292 2HG1 VAL 39 2HG1 VAL 39 4.755 -0.314 -7.811 293 3HG1 VAL 39 3HG1 VAL 39 3.022 -0.173 -7.698 294 1HG2 VAL 39 1HG2 VAL 39 4.470 -2.188 -6.380 295 2HG2 VAL 39 2HG2 VAL 39 4.345 -1.984 -4.617 296 3HG2 VAL 39 3HG2 VAL 39 2.886 -2.006 -5.598 297 H ASN 40 H ASN 40 7.236 -0.379 -3.690 298 HA ASN 40 HA ASN 40 9.123 0.193 -5.894 299 1HB ASN 40 2HB ASN 40 9.573 0.837 -3.513 300 2HB ASN 40 3HB ASN 40 9.663 -0.885 -3.103 301 1HD2 ASN 40 1HD2 ASN 40 11.881 0.353 -2.469 302 2HD2 ASN 40 2HD2 ASN 40 13.145 0.151 -3.674 303 H LEU 41 H LEU 41 7.505 -1.520 -6.892 304 HA LEU 41 HA LEU 41 7.919 -4.269 -6.186 305 1HB LEU 41 2HB LEU 41 6.137 -2.801 -7.820 306 2HB LEU 41 3HB LEU 41 6.955 -3.866 -8.939 307 HG LEU 41 HG LEU 41 4.783 -4.655 -7.939 308 1HD1 LEU 41 1HD1 LEU 41 5.516 -6.998 -7.700 309 2HD1 LEU 41 2HD1 LEU 41 6.317 -6.207 -9.068 310 3HD1 LEU 41 3HD1 LEU 41 7.202 -6.474 -7.551 311 1HD2 LEU 41 1HD2 LEU 41 6.259 -5.560 -5.463 312 2HD2 LEU 41 2HD2 LEU 41 5.489 -3.970 -5.502 313 3HD2 LEU 41 3HD2 LEU 41 4.528 -5.433 -5.783 314 H ALA 42 H ALA 42 9.719 -2.065 -8.104 315 HA ALA 42 HA ALA 42 11.359 -3.677 -9.679 316 1HB ALA 42 1HB ALA 42 12.170 -1.362 -7.875 317 2HB ALA 42 2HB ALA 42 13.103 -2.002 -9.239 318 3HB ALA 42 3HB ALA 42 11.536 -1.216 -9.535 319 H THR 43 H THR 43 11.334 -3.372 -6.084 320 HA THR 43 HA THR 43 13.330 -5.604 -6.027 321 HB THR 43 HB THR 43 14.277 -3.553 -5.154 322 HG1 THR 43 1HG THR 43 13.756 -5.661 -3.352 323 1HG2 THR 43 1HG2 THR 43 12.307 -3.804 -2.834 324 2HG2 THR 43 2HG2 THR 43 13.562 -2.576 -3.063 325 3HG2 THR 43 3HG2 THR 43 12.146 -2.614 -4.132 326 H GLU 44 H GLU 44 10.329 -5.625 -6.293 327 HA GLU 44 HA GLU 44 8.519 -6.590 -5.446 328 1HB GLU 44 2HB GLU 44 10.557 -8.410 -5.510 329 2HB GLU 44 3HB GLU 44 10.014 -8.586 -3.847 330 1HG GLU 44 2HG GLU 44 7.618 -8.754 -4.869 331 2HG GLU 44 3HG GLU 44 8.429 -8.915 -6.443 332 H THR 45 H THR 45 9.000 -4.331 -3.940 333 HA THR 45 HA THR 45 7.761 -5.156 -1.390 334 HB THR 45 HB THR 45 9.971 -3.059 -1.676 335 HG1 THR 45 1HG THR 45 10.150 -5.842 -1.415 336 1HG2 THR 45 1HG2 THR 45 8.531 -2.986 0.321 337 2HG2 THR 45 2HG2 THR 45 8.887 -4.719 0.607 338 3HG2 THR 45 3HG2 THR 45 10.187 -3.502 0.739 339 H VAL 46 H VAL 46 6.448 -3.440 -0.439 340 HA VAL 46 HA VAL 46 5.859 -1.156 -2.279 341 HB VAL 46 HB VAL 46 3.981 -2.669 -2.341 342 1HG1 VAL 46 1HG1 VAL 46 3.842 -2.372 0.674 343 2HG1 VAL 46 2HG1 VAL 46 2.643 -3.192 -0.341 344 3HG1 VAL 46 3HG1 VAL 46 4.262 -3.876 -0.191 345 1HG2 VAL 46 1HG2 VAL 46 3.461 -0.275 -2.359 346 2HG2 VAL 46 2HG2 VAL 46 2.220 -1.228 -1.516 347 3HG2 VAL 46 3HG2 VAL 46 3.353 -0.254 -0.583 348 H ASN 47 H ASN 47 5.647 0.888 -1.302 349 HA ASN 47 HA ASN 47 6.290 1.019 1.582 350 1HB ASN 47 2HB ASN 47 7.480 2.583 -0.753 351 2HB ASN 47 3HB ASN 47 7.470 3.225 0.893 352 1HD2 ASN 47 1HD2 ASN 47 8.340 1.603 2.630 353 2HD2 ASN 47 2HD2 ASN 47 9.913 0.966 2.174 354 H VAL 48 H VAL 48 5.164 2.724 2.689 355 HA VAL 48 HA VAL 48 3.175 4.209 1.122 356 HB VAL 48 HB VAL 48 2.024 2.174 1.534 357 1HG1 VAL 48 1HG1 VAL 48 2.841 2.441 4.440 358 2HG1 VAL 48 2HG1 VAL 48 1.584 1.338 3.847 359 3HG1 VAL 48 3HG1 VAL 48 3.259 1.146 3.313 360 1HG2 VAL 48 1HG2 VAL 48 0.771 4.267 1.741 361 2HG2 VAL 48 2HG2 VAL 48 0.107 2.986 2.758 362 3HG2 VAL 48 3HG2 VAL 48 1.055 4.296 3.485 363 H ILE 49 H ILE 49 2.926 6.197 1.915 364 HA ILE 49 HA ILE 49 4.737 6.919 4.113 365 HB ILE 49 HB ILE 49 3.778 8.704 1.848 366 1HG1 ILE 49 2HG1 ILE 49 4.913 6.902 0.734 367 2HG1 ILE 49 3HG1 ILE 49 5.884 8.365 0.711 368 1HG2 ILE 49 1HG2 ILE 49 4.619 9.909 3.758 369 2HG2 ILE 49 2HG2 ILE 49 6.078 8.918 3.830 370 3HG2 ILE 49 3HG2 ILE 49 5.802 10.008 2.452 371 1HD1 ILE 49 1HD1 ILE 49 7.273 7.461 2.598 372 2HD1 ILE 49 2HD1 ILE 49 6.337 5.950 2.507 373 3HD1 ILE 49 3HD1 ILE 49 7.332 6.472 1.139 374 H TYR 50 H TYR 50 3.271 6.847 5.871 375 HA TYR 50 HA TYR 50 0.801 8.528 5.702 376 1HB TYR 50 2HB TYR 50 -0.591 6.752 6.439 377 2HB TYR 50 3HB TYR 50 0.345 6.164 5.075 378 HD1 TYR 50 HD1 TYR 50 2.095 4.407 5.454 379 HD2 TYR 50 HD2 TYR 50 -0.340 5.878 8.672 380 HE1 TYR 50 HE1 TYR 50 2.298 2.227 6.614 381 HE2 TYR 50 HE2 TYR 50 0.149 3.835 9.966 382 HH TYR 50 HH TYR 50 1.675 0.984 8.463 383 H ASP 51 H ASP 51 -0.357 8.514 7.777 384 HA ASP 51 HA ASP 51 1.580 9.284 9.858 385 1HB ASP 51 2HB ASP 51 -0.139 10.890 9.220 386 2HB ASP 51 3HB ASP 51 -1.416 9.749 9.672 387 HA PRO 52 HA PRO 52 0.425 5.287 11.646 388 1HB PRO 52 2HB PRO 52 2.483 4.811 13.286 389 2HB PRO 52 3HB PRO 52 2.643 4.722 11.515 390 1HG PRO 52 2HG PRO 52 3.299 7.109 13.305 391 2HG PRO 52 3HG PRO 52 4.370 6.359 12.085 392 1HD PRO 52 2HD PRO 52 2.836 8.559 11.543 393 2HD PRO 52 3HD PRO 52 3.137 7.292 10.315 394 H ALA 53 H ALA 53 0.156 8.451 12.960 395 HA ALA 53 HA ALA 53 -0.701 7.506 15.613 396 1HB ALA 53 1HB ALA 53 -1.073 10.179 14.213 397 2HB ALA 53 2HB ALA 53 -1.304 9.815 15.929 398 3HB ALA 53 3HB ALA 53 0.332 9.780 15.233 399 H GLU 54 H GLU 54 -1.850 7.956 12.277 400 HA GLU 54 HA GLU 54 -4.611 8.139 13.283 401 1HB GLU 54 2HB GLU 54 -3.509 10.059 11.884 402 2HB GLU 54 3HB GLU 54 -3.879 9.022 10.497 403 1HG GLU 54 2HG GLU 54 -6.278 8.903 11.366 404 2HG GLU 54 3HG GLU 54 -5.815 10.072 12.614 405 H THR 55 H THR 55 -2.677 6.836 10.608 406 HA THR 55 HA THR 55 -4.409 4.460 10.520 407 HB THR 55 HB THR 55 -2.812 3.976 8.339 408 HG1 THR 55 1HG THR 55 -3.294 6.738 8.518 409 1HG2 THR 55 1HG2 THR 55 -4.764 4.715 7.061 410 2HG2 THR 55 2HG2 THR 55 -5.223 3.726 8.464 411 3HG2 THR 55 3HG2 THR 55 -5.452 5.514 8.503 412 H GLY 56 H GLY 56 -3.075 2.612 9.749 413 1HA GLY 56 2HA GLY 56 -0.589 2.027 11.040 414 2HA GLY 56 3HA GLY 56 -1.990 1.283 11.845 415 H THR 57 H THR 57 -2.160 -0.741 11.044 416 HA THR 57 HA THR 57 -1.396 -1.581 8.353 417 HB THR 57 HB THR 57 -1.966 -3.801 9.511 418 HG1 THR 57 1HG THR 57 -2.261 -3.591 11.784 419 1HG2 THR 57 1HG2 THR 57 0.371 -2.867 9.455 420 2HG2 THR 57 2HG2 THR 57 0.058 -1.941 10.930 421 3HG2 THR 57 3HG2 THR 57 0.057 -3.713 10.981 422 H ALA 58 H ALA 58 -4.113 -1.043 10.485 423 HA ALA 58 HA ALA 58 -6.062 -2.534 9.532 424 1HB ALA 58 1HB ALA 58 -6.401 0.304 10.541 425 2HB ALA 58 2HB ALA 58 -7.674 -0.935 10.487 426 3HB ALA 58 3HB ALA 58 -6.258 -1.162 11.532 427 H ALA 59 H ALA 59 -5.605 0.723 8.317 428 HA ALA 59 HA ALA 59 -8.060 0.437 6.662 429 1HB ALA 59 1HB ALA 59 -7.603 2.715 5.915 430 2HB ALA 59 2HB ALA 59 -7.481 2.615 7.683 431 3HB ALA 59 3HB ALA 59 -6.005 2.656 6.691 432 H ILE 60 H ILE 60 -4.607 0.373 6.341 433 HA ILE 60 HA ILE 60 -4.267 0.123 3.536 434 HB ILE 60 HB ILE 60 -2.709 -0.327 6.061 435 1HG1 ILE 60 2HG1 ILE 60 -1.992 0.907 3.448 436 2HG1 ILE 60 3HG1 ILE 60 -3.115 1.768 4.482 437 1HG2 ILE 60 1HG2 ILE 60 -1.826 -1.445 3.371 438 2HG2 ILE 60 2HG2 ILE 60 -0.772 -1.142 4.774 439 3HG2 ILE 60 3HG2 ILE 60 -2.054 -2.347 4.890 440 1HD1 ILE 60 1HD1 ILE 60 -0.805 2.593 4.835 441 2HD1 ILE 60 2HD1 ILE 60 -1.555 1.955 6.293 442 3HD1 ILE 60 3HD1 ILE 60 -0.327 0.992 5.441 443 H GLN 61 H GLN 61 -4.612 -2.545 5.979 444 HA GLN 61 HA GLN 61 -4.551 -4.510 3.889 445 1HB GLN 61 2HB GLN 61 -5.055 -4.520 6.768 446 2HB GLN 61 3HB GLN 61 -6.198 -5.534 5.880 447 1HG GLN 61 2HG GLN 61 -4.645 -7.095 6.254 448 2HG GLN 61 3HG GLN 61 -4.091 -6.539 4.681 449 1HE2 GLN 61 1HE2 GLN 61 -2.924 -3.990 5.842 450 2HE2 GLN 61 2HE2 GLN 61 -1.478 -4.533 6.683 451 H GLU 62 H GLU 62 -7.297 -2.811 5.515 452 HA GLU 62 HA GLU 62 -9.452 -3.984 4.195 453 1HB GLU 62 2HB GLU 62 -8.886 -1.267 5.371 454 2HB GLU 62 3HB GLU 62 -10.304 -1.426 4.351 455 1HG GLU 62 2HG GLU 62 -11.114 -3.301 5.773 456 2HG GLU 62 3HG GLU 62 -9.708 -3.073 6.834 457 H LYS 63 H LYS 63 -7.708 -1.020 3.039 458 HA LYS 63 HA LYS 63 -9.140 -0.934 0.589 459 1HB LYS 63 2HB LYS 63 -6.659 0.329 1.754 460 2HB LYS 63 3HB LYS 63 -7.030 0.520 0.073 461 1HG LYS 63 2HG LYS 63 -8.877 1.331 2.360 462 2HG LYS 63 3HG LYS 63 -7.821 2.386 1.414 463 1HD LYS 63 2HD LYS 63 -9.589 2.900 0.283 464 2HD LYS 63 3HD LYS 63 -9.171 1.477 -0.670 465 1HE LYS 63 2HE LYS 63 -10.948 0.179 0.397 466 2HE LYS 63 3HE LYS 63 -11.102 1.347 1.714 467 1HZ LYS 63 1HZ LYS 63 -12.863 1.511 0.117 468 2HZ LYS 63 2HZ LYS 63 -12.002 2.907 0.173 469 3HZ LYS 63 3HZ LYS 63 -11.804 1.871 -1.092 470 H ILE 64 H ILE 64 -6.042 -2.513 1.526 471 HA ILE 64 HA ILE 64 -5.007 -3.090 -0.944 472 HB ILE 64 HB ILE 64 -4.885 -4.149 1.784 473 1HG1 ILE 64 2HG1 ILE 64 -3.398 -2.400 0.758 474 2HG1 ILE 64 3HG1 ILE 64 -2.613 -3.744 1.579 475 1HG2 ILE 64 1HG2 ILE 64 -3.459 -6.047 1.212 476 2HG2 ILE 64 2HG2 ILE 64 -5.191 -6.265 0.976 477 3HG2 ILE 64 3HG2 ILE 64 -4.141 -5.977 -0.438 478 1HD1 ILE 64 1HD1 ILE 64 -2.936 -3.477 -1.434 479 2HD1 ILE 64 2HD1 ILE 64 -1.448 -3.264 -0.482 480 3HD1 ILE 64 3HD1 ILE 64 -2.216 -4.860 -0.598 481 H GLU 65 H GLU 65 -7.269 -5.012 1.118 482 HA GLU 65 HA GLU 65 -7.959 -7.038 -0.741 483 1HB GLU 65 2HB GLU 65 -9.333 -5.838 1.693 484 2HB GLU 65 3HB GLU 65 -10.087 -7.132 0.760 485 1HG GLU 65 2HG GLU 65 -7.257 -7.429 1.780 486 2HG GLU 65 3HG GLU 65 -8.647 -7.773 2.809 487 H LYS 66 H LYS 66 -9.769 -4.025 0.077 488 HA LYS 66 HA LYS 66 -11.829 -4.526 -1.745 489 1HB LYS 66 2HB LYS 66 -11.005 -2.308 -0.061 490 2HB LYS 66 3HB LYS 66 -11.545 -1.666 -1.608 491 1HG LYS 66 2HG LYS 66 -13.124 -3.663 0.067 492 2HG LYS 66 3HG LYS 66 -13.330 -1.910 0.161 493 1HD LYS 66 2HD LYS 66 -13.916 -1.820 -2.254 494 2HD LYS 66 3HD LYS 66 -13.739 -3.577 -2.374 495 1HE LYS 66 2HE LYS 66 -15.526 -3.865 -0.640 496 2HE LYS 66 3HE LYS 66 -15.745 -2.108 -0.593 497 1HZ LYS 66 1HZ LYS 66 -17.349 -3.167 -2.008 498 2HZ LYS 66 2HZ LYS 66 -16.380 -2.204 -2.920 499 3HZ LYS 66 3HZ LYS 66 -16.177 -3.838 -2.944 500 H LEU 67 H LEU 67 -8.730 -2.988 -2.391 501 HA LEU 67 HA LEU 67 -9.343 -2.194 -5.113 502 1HB LEU 67 2HB LEU 67 -6.812 -2.433 -3.459 503 2HB LEU 67 3HB LEU 67 -6.763 -1.990 -5.165 504 HG LEU 67 HG LEU 67 -8.653 -0.472 -3.355 505 1HD1 LEU 67 1HD1 LEU 67 -5.655 -0.049 -3.489 506 2HD1 LEU 67 2HD1 LEU 67 -6.808 1.195 -2.969 507 3HD1 LEU 67 3HD1 LEU 67 -6.638 -0.309 -2.064 508 1HD2 LEU 67 1HD2 LEU 67 -8.659 -0.143 -5.850 509 2HD2 LEU 67 2HD2 LEU 67 -8.230 1.318 -4.955 510 3HD2 LEU 67 3HD2 LEU 67 -6.966 0.367 -5.758 511 H GLY 68 H GLY 68 -8.627 -5.233 -3.641 512 1HA GLY 68 2HA GLY 68 -8.926 -7.246 -4.726 513 2HA GLY 68 3HA GLY 68 -8.595 -6.510 -6.298 514 H TYR 69 H TYR 69 -6.624 -6.306 -3.264 515 HA TYR 69 HA TYR 69 -4.470 -7.924 -4.544 516 1HB TYR 69 2HB TYR 69 -4.532 -5.051 -3.958 517 2HB TYR 69 3HB TYR 69 -3.257 -5.849 -3.067 518 HD1 TYR 69 HD1 TYR 69 -4.721 -5.576 -6.508 519 HD2 TYR 69 HD2 TYR 69 -1.254 -6.542 -4.139 520 HE1 TYR 69 HE1 TYR 69 -3.341 -5.470 -8.512 521 HE2 TYR 69 HE2 TYR 69 0.151 -6.352 -6.131 522 HH TYR 69 HH TYR 69 -1.182 -5.433 -9.337 523 H HIS 70 H HIS 70 -2.684 -8.228 -2.799 524 HA HIS 70 HA HIS 70 -3.702 -8.313 -0.059 525 1HB HIS 70 2HB HIS 70 -4.341 -10.492 -1.025 526 2HB HIS 70 3HB HIS 70 -2.663 -10.788 -1.484 527 HD1 HIS 70 1HD HIS 70 -2.731 -12.991 0.082 528 HD2 HIS 70 2HD HIS 70 -3.484 -9.343 2.040 529 HE1 HIS 70 1HE HIS 70 -2.665 -13.469 2.587 530 H VAL 71 H VAL 71 -2.062 -7.820 1.336 531 HA VAL 71 HA VAL 71 0.674 -7.441 0.239 532 HB VAL 71 HB VAL 71 -0.706 -5.406 0.867 533 1HG1 VAL 71 1HG1 VAL 71 -1.758 -6.299 2.959 534 2HG1 VAL 71 2HG1 VAL 71 -0.162 -6.249 3.738 535 3HG1 VAL 71 3HG1 VAL 71 -0.923 -4.753 3.179 536 1HG2 VAL 71 1HG2 VAL 71 1.129 -4.236 1.917 537 2HG2 VAL 71 2HG2 VAL 71 1.922 -5.790 2.293 538 3HG2 VAL 71 3HG2 VAL 71 1.676 -5.277 0.602 539 H VAL 72 H VAL 72 2.375 -8.291 1.506 540 HA VAL 72 HA VAL 72 1.539 -10.192 3.659 541 HB VAL 72 HB VAL 72 3.845 -10.359 1.816 542 1HG1 VAL 72 1HG1 VAL 72 4.515 -11.288 3.945 543 2HG1 VAL 72 2HG1 VAL 72 3.009 -12.226 4.055 544 3HG1 VAL 72 3HG1 VAL 72 4.225 -12.611 2.819 545 1HG2 VAL 72 1HG2 VAL 72 1.347 -12.104 2.064 546 2HG2 VAL 72 2HG2 VAL 72 1.667 -10.970 0.736 547 3HG2 VAL 72 3HG2 VAL 72 2.692 -12.398 0.944 548 H ILE 73 H ILE 73 2.605 -10.160 5.482 549 HA ILE 73 HA ILE 73 4.056 -7.636 6.141 550 HB ILE 73 HB ILE 73 2.358 -9.400 7.916 551 1HG1 ILE 73 2HG1 ILE 73 0.916 -8.338 6.272 552 2HG1 ILE 73 3HG1 ILE 73 0.736 -7.584 7.848 553 1HG2 ILE 73 1HG2 ILE 73 3.780 -6.745 8.368 554 2HG2 ILE 73 2HG2 ILE 73 2.469 -7.350 9.412 555 3HG2 ILE 73 3HG2 ILE 73 3.971 -8.253 9.269 556 1HD1 ILE 73 1HD1 ILE 73 2.250 -6.410 5.483 557 2HD1 ILE 73 2HD1 ILE 73 0.699 -5.881 6.146 558 3HD1 ILE 73 3HD1 ILE 73 2.171 -5.675 7.104 559 H GLU 74 H GLU 74 6.032 -8.801 5.310 560 HA GLU 74 HA GLU 74 7.183 -10.798 6.900 561 1HB GLU 74 2HB GLU 74 8.094 -8.969 4.696 562 2HB GLU 74 3HB GLU 74 9.264 -9.917 5.605 563 1HG GLU 74 2HG GLU 74 6.847 -11.283 4.382 564 2HG GLU 74 3HG GLU 74 8.318 -10.976 3.445 565 H GLY 75 H GLY 75 6.471 -7.880 7.866 566 1HA GLY 75 2HA GLY 75 9.031 -7.131 9.224 567 2HA GLY 75 3HA GLY 75 7.683 -6.066 8.783 568 H ARG 76 H ARG 76 6.018 -8.499 10.006 569 HA ARG 76 HA ARG 76 6.272 -8.156 12.841 570 1HB ARG 76 2HB ARG 76 5.351 -5.872 11.878 571 2HB ARG 76 3HB ARG 76 3.953 -6.821 11.434 572 1HG ARG 76 2HG ARG 76 3.197 -6.053 13.414 573 2HG ARG 76 3HG ARG 76 3.997 -7.473 14.068 574 1HD ARG 76 2HD ARG 76 5.575 -4.861 13.861 575 2HD ARG 76 3HD ARG 76 4.298 -5.010 15.050 576 HE ARG 76 HE ARG 76 5.414 -6.513 16.290 577 1HH1 ARG 76 2HH2 ARG 76 7.316 -6.233 13.234 578 2HH1 ARG 76 1HH2 ARG 76 8.762 -6.731 13.987 579 1HH2 ARG 76 2HH1 ARG 76 7.359 -7.271 17.196 580 2HH2 ARG 76 1HH1 ARG 76 8.785 -7.422 16.223 Start of MODEL 30 1 1H MET 1 H1 MET 1 4.277 16.143 15.448 2 2H MET 1 H2 MET 1 5.076 16.112 16.886 3 3H MET 1 H3 MET 1 3.833 15.148 16.612 4 HA MET 1 HA MET 1 3.052 17.020 17.981 5 1HB MET 1 2HB MET 1 4.694 18.557 15.971 6 2HB MET 1 3HB MET 1 3.252 19.344 16.621 7 1HG MET 1 2HG MET 1 4.010 19.075 18.893 8 2HG MET 1 3HG MET 1 5.519 18.323 18.337 9 1HE MET 1 1HE MET 1 6.662 20.273 19.935 10 2HE MET 1 2HE MET 1 6.427 22.010 19.625 11 3HE MET 1 3HE MET 1 5.075 21.031 20.236 12 H LEU 2 H LEU 2 2.756 18.393 14.729 13 HA LEU 2 HA LEU 2 -0.040 17.599 14.367 14 1HB LEU 2 2HB LEU 2 2.027 19.200 12.940 15 2HB LEU 2 3HB LEU 2 1.169 18.117 11.859 16 HG LEU 2 HG LEU 2 -1.007 19.013 12.659 17 1HD1 LEU 2 1HD1 LEU 2 -1.013 21.159 13.912 18 2HD1 LEU 2 2HD1 LEU 2 -0.327 19.858 14.896 19 3HD1 LEU 2 3HD1 LEU 2 0.747 21.044 14.127 20 1HD2 LEU 2 1HD2 LEU 2 -0.810 21.141 11.435 21 2HD2 LEU 2 2HD2 LEU 2 0.960 21.082 11.585 22 3HD2 LEU 2 3HD2 LEU 2 0.105 19.861 10.618 23 H SER 3 H SER 3 -0.450 16.210 12.249 24 HA SER 3 HA SER 3 0.128 13.644 12.421 25 1HB SER 3 2HB SER 3 0.090 15.212 9.797 26 2HB SER 3 3HB SER 3 -0.396 13.534 10.031 27 HG SER 3 HG SER 3 -2.102 14.223 11.286 28 H GLU 4 H GLU 4 2.068 12.698 12.796 29 HA GLU 4 HA GLU 4 4.520 13.588 11.435 30 1HB GLU 4 2HB GLU 4 3.832 11.556 13.500 31 2HB GLU 4 3HB GLU 4 5.403 11.646 12.768 32 1HG GLU 4 2HG GLU 4 5.817 13.782 13.565 33 2HG GLU 4 3HG GLU 4 4.128 14.045 13.981 34 H GLN 5 H GLN 5 5.614 11.864 10.114 35 HA GLN 5 HA GLN 5 3.682 10.066 8.729 36 1HB GLN 5 2HB GLN 5 5.673 12.009 7.554 37 2HB GLN 5 3HB GLN 5 4.966 10.696 6.621 38 1HG GLN 5 2HG GLN 5 3.146 12.662 8.101 39 2HG GLN 5 3HG GLN 5 3.858 13.065 6.552 40 1HE2 GLN 5 1HE2 GLN 5 3.598 11.348 4.832 41 2HE2 GLN 5 2HE2 GLN 5 2.147 10.356 4.764 42 H LYS 6 H LYS 6 4.586 8.146 7.960 43 HA LYS 6 HA LYS 6 7.455 7.717 8.242 44 1HB LYS 6 2HB LYS 6 6.566 7.096 10.401 45 2HB LYS 6 3HB LYS 6 5.348 6.024 9.658 46 1HG LYS 6 2HG LYS 6 7.113 4.606 8.800 47 2HG LYS 6 3HG LYS 6 8.360 5.758 9.353 48 1HD LYS 6 2HD LYS 6 7.579 5.354 11.716 49 2HD LYS 6 3HD LYS 6 6.444 4.144 11.093 50 1HE LYS 6 2HE LYS 6 8.617 3.073 9.981 51 2HE LYS 6 3HE LYS 6 9.495 4.125 11.092 52 1HZ LYS 6 1HZ LYS 6 9.269 2.138 12.205 53 2HZ LYS 6 2HZ LYS 6 8.043 3.025 12.852 54 3HZ LYS 6 3HZ LYS 6 7.722 1.879 11.712 55 H GLU 7 H GLU 7 8.128 5.906 7.201 56 HA GLU 7 HA GLU 7 6.647 5.200 4.745 57 1HB GLU 7 2HB GLU 7 9.609 4.929 4.815 58 2HB GLU 7 3HB GLU 7 8.522 5.525 3.585 59 1HG GLU 7 2HG GLU 7 9.825 7.364 4.150 60 2HG GLU 7 3HG GLU 7 8.382 7.687 5.110 61 H ILE 8 H ILE 8 5.721 3.258 5.502 62 HA ILE 8 HA ILE 8 7.434 1.322 6.910 63 HB ILE 8 HB ILE 8 4.601 1.186 6.039 64 1HG1 ILE 8 2HG1 ILE 8 4.753 3.054 7.617 65 2HG1 ILE 8 3HG1 ILE 8 3.834 1.673 8.232 66 1HG2 ILE 8 1HG2 ILE 8 6.338 -0.446 7.802 67 2HG2 ILE 8 2HG2 ILE 8 4.546 -0.560 7.864 68 3HG2 ILE 8 3HG2 ILE 8 5.410 -0.947 6.360 69 1HD1 ILE 8 1HD1 ILE 8 5.674 0.867 9.493 70 2HD1 ILE 8 2HD1 ILE 8 6.723 2.152 8.838 71 3HD1 ILE 8 3HD1 ILE 8 5.347 2.563 9.913 72 H ALA 9 H ALA 9 7.450 -0.898 5.909 73 HA ALA 9 HA ALA 9 7.475 -0.924 2.955 74 1HB ALA 9 1HB ALA 9 9.626 -2.097 2.968 75 2HB ALA 9 2HB ALA 9 9.824 -0.504 3.730 76 3HB ALA 9 3HB ALA 9 9.726 -1.959 4.736 77 H MET 10 H MET 10 6.584 -2.894 2.224 78 HA MET 10 HA MET 10 6.707 -5.270 3.889 79 1HB MET 10 2HB MET 10 4.265 -5.622 4.005 80 2HB MET 10 3HB MET 10 4.821 -4.300 5.013 81 1HG MET 10 2HG MET 10 3.691 -3.880 2.248 82 2HG MET 10 3HG MET 10 2.662 -3.996 3.668 83 1HE MET 10 1HE MET 10 1.979 -2.191 5.190 84 2HE MET 10 2HE MET 10 3.562 -2.458 5.959 85 3HE MET 10 3HE MET 10 3.005 -0.802 5.600 86 H GLN 11 H GLN 11 5.287 -7.075 2.674 87 HA GLN 11 HA GLN 11 6.455 -7.081 -0.071 88 1HB GLN 11 2HB GLN 11 6.031 -9.050 2.124 89 2HB GLN 11 3HB GLN 11 5.529 -9.641 0.548 90 1HG GLN 11 2HG GLN 11 8.222 -8.338 0.564 91 2HG GLN 11 3HG GLN 11 8.057 -9.808 1.517 92 1HE2 GLN 11 1HE2 GLN 11 8.176 -8.573 -1.791 93 2HE2 GLN 11 2HE2 GLN 11 7.997 -10.148 -2.540 94 H VAL 12 H VAL 12 5.120 -8.343 -1.727 95 HA VAL 12 HA VAL 12 2.239 -7.557 -1.503 96 HB VAL 12 HB VAL 12 4.063 -7.221 -3.917 97 1HG1 VAL 12 1HG1 VAL 12 1.724 -7.571 -4.568 98 2HG1 VAL 12 2HG1 VAL 12 1.180 -6.370 -3.373 99 3HG1 VAL 12 3HG1 VAL 12 2.139 -5.869 -4.780 100 1HG2 VAL 12 1HG2 VAL 12 2.996 -5.166 -1.937 101 2HG2 VAL 12 2HG2 VAL 12 4.707 -5.561 -2.229 102 3HG2 VAL 12 3HG2 VAL 12 3.761 -4.768 -3.487 103 H SER 13 H SER 13 0.754 -8.941 -2.519 104 HA SER 13 HA SER 13 1.811 -11.314 -3.988 105 1HB SER 13 2HB SER 13 -0.333 -11.219 -1.825 106 2HB SER 13 3HB SER 13 -0.094 -12.599 -2.915 107 HG SER 13 HG SER 13 2.194 -11.650 -1.680 108 H GLY 14 H GLY 14 -0.095 -12.284 -5.306 109 1HA GLY 14 2HA GLY 14 -1.874 -12.025 -6.750 110 2HA GLY 14 3HA GLY 14 -2.216 -10.426 -6.083 111 H MET 15 H MET 15 0.397 -9.289 -6.514 112 HA MET 15 HA MET 15 0.227 -8.098 -8.886 113 1HB MET 15 2HB MET 15 2.615 -7.532 -8.754 114 2HB MET 15 3HB MET 15 1.764 -7.378 -7.233 115 1HG MET 15 2HG MET 15 3.753 -8.363 -6.573 116 2HG MET 15 3HG MET 15 2.692 -9.764 -6.672 117 1HE MET 15 1HE MET 15 6.200 -11.209 -7.622 118 2HE MET 15 2HE MET 15 5.836 -9.961 -6.412 119 3HE MET 15 3HE MET 15 4.775 -11.382 -6.574 120 H THR 16 H THR 16 0.868 -8.168 -10.900 121 HA THR 16 HA THR 16 2.420 -10.351 -12.109 122 HB THR 16 HB THR 16 0.416 -10.434 -13.863 123 HG1 THR 16 1HG THR 16 -1.011 -10.017 -11.451 124 1HG2 THR 16 1HG2 THR 16 0.170 -11.984 -11.249 125 2HG2 THR 16 2HG2 THR 16 -0.525 -12.408 -12.821 126 3HG2 THR 16 3HG2 THR 16 1.234 -12.408 -12.607 127 H CYS 17 H CYS 17 0.070 -7.824 -12.986 128 HA CYS 17 HA CYS 17 1.418 -6.820 -15.209 129 1HB CYS 17 2HB CYS 17 -0.352 -5.187 -13.351 130 2HB CYS 17 3HB CYS 17 -0.082 -4.918 -15.079 131 H ALA 18 H ALA 18 2.071 -6.145 -11.858 132 HA ALA 18 HA ALA 18 3.439 -4.797 -10.717 133 1HB ALA 18 1HB ALA 18 5.382 -3.760 -11.676 134 2HB ALA 18 2HB ALA 18 5.208 -5.396 -12.334 135 3HB ALA 18 3HB ALA 18 4.786 -3.984 -13.325 136 H ALA 19 H ALA 19 2.621 -3.041 -13.742 137 HA ALA 19 HA ALA 19 2.373 -0.456 -12.742 138 1HB ALA 19 1HB ALA 19 0.655 -1.805 -14.870 139 2HB ALA 19 2HB ALA 19 0.860 -0.054 -14.649 140 3HB ALA 19 3HB ALA 19 2.243 -1.055 -15.126 141 H CYS 20 H CYS 20 -0.201 -2.972 -12.806 142 HA CYS 20 HA CYS 20 -2.219 -1.448 -11.625 143 1HB CYS 20 2HB CYS 20 -1.664 -4.437 -11.561 144 2HB CYS 20 3HB CYS 20 -3.166 -3.715 -10.961 145 H ALA 21 H ALA 21 0.570 -2.918 -10.045 146 HA ALA 21 HA ALA 21 -0.512 -2.723 -7.383 147 1HB ALA 21 1HB ALA 21 1.452 -4.175 -8.206 148 2HB ALA 21 2HB ALA 21 2.430 -2.698 -8.073 149 3HB ALA 21 3HB ALA 21 1.589 -3.366 -6.649 150 H ALA 22 H ALA 22 0.628 -0.320 -9.698 151 HA ALA 22 HA ALA 22 1.261 1.671 -7.645 152 1HB ALA 22 1HB ALA 22 1.244 3.261 -9.431 153 2HB ALA 22 2HB ALA 22 2.118 1.822 -9.997 154 3HB ALA 22 3HB ALA 22 0.452 2.133 -10.541 155 H ARG 23 H ARG 23 -1.539 0.659 -9.638 156 HA ARG 23 HA ARG 23 -3.269 2.809 -8.927 157 1HB ARG 23 2HB ARG 23 -3.900 -0.017 -9.847 158 2HB ARG 23 3HB ARG 23 -5.111 1.250 -9.643 159 1HG ARG 23 2HG ARG 23 -4.174 2.623 -11.361 160 2HG ARG 23 3HG ARG 23 -2.652 1.733 -11.350 161 1HD ARG 23 2HD ARG 23 -3.689 1.052 -13.313 162 2HD ARG 23 3HD ARG 23 -3.874 -0.302 -12.181 163 HE ARG 23 HE ARG 23 -6.190 1.347 -12.052 164 1HH1 ARG 23 2HH2 ARG 23 -4.565 -1.113 -14.014 165 2HH1 ARG 23 1HH2 ARG 23 -5.918 -1.437 -15.039 166 1HH2 ARG 23 2HH1 ARG 23 -8.068 0.867 -13.362 167 2HH2 ARG 23 1HH1 ARG 23 -7.977 -0.332 -14.610 168 H ILE 24 H ILE 24 -2.691 -0.401 -7.368 169 HA ILE 24 HA ILE 24 -4.657 0.051 -5.397 170 HB ILE 24 HB ILE 24 -3.898 -1.617 -4.072 171 1HG1 ILE 24 2HG1 ILE 24 -1.266 -1.258 -5.359 172 2HG1 ILE 24 3HG1 ILE 24 -1.689 -1.162 -3.640 173 1HG2 ILE 24 1HG2 ILE 24 -3.958 -3.403 -5.556 174 2HG2 ILE 24 2HG2 ILE 24 -4.760 -2.118 -6.452 175 3HG2 ILE 24 3HG2 ILE 24 -3.079 -2.544 -6.843 176 1HD1 ILE 24 1HD1 ILE 24 -1.454 -3.641 -5.371 177 2HD1 ILE 24 2HD1 ILE 24 -0.397 -3.169 -4.041 178 3HD1 ILE 24 3HD1 ILE 24 -2.073 -3.650 -3.694 179 H GLU 25 H GLU 25 -1.122 0.701 -5.001 180 HA GLU 25 HA GLU 25 -1.213 2.159 -2.668 181 1HB GLU 25 2HB GLU 25 0.523 2.195 -5.115 182 2HB GLU 25 3HB GLU 25 0.699 3.550 -3.995 183 1HG GLU 25 2HG GLU 25 2.246 1.590 -3.573 184 2HG GLU 25 3HG GLU 25 1.310 2.122 -2.182 185 H LYS 26 H LYS 26 -2.109 3.470 -5.879 186 HA LYS 26 HA LYS 26 -2.409 6.167 -4.750 187 1HB LYS 26 2HB LYS 26 -3.576 5.136 -7.345 188 2HB LYS 26 3HB LYS 26 -3.365 6.818 -6.854 189 1HG LYS 26 2HG LYS 26 -1.204 4.811 -7.523 190 2HG LYS 26 3HG LYS 26 -1.686 6.203 -8.474 191 1HD LYS 26 2HD LYS 26 -0.649 7.725 -6.904 192 2HD LYS 26 3HD LYS 26 -0.499 6.472 -5.667 193 1HE LYS 26 2HE LYS 26 1.670 6.909 -6.659 194 2HE LYS 26 3HE LYS 26 1.145 5.237 -6.868 195 1HZ LYS 26 1HZ LYS 26 2.118 6.129 -8.859 196 2HZ LYS 26 2HZ LYS 26 0.542 5.754 -9.126 197 3HZ LYS 26 3HZ LYS 26 0.998 7.328 -8.943 198 H GLY 27 H GLY 27 -4.769 3.574 -5.580 199 1HA GLY 27 2HA GLY 27 -7.077 5.038 -4.662 200 2HA GLY 27 3HA GLY 27 -6.933 3.285 -4.841 201 H LEU 28 H LEU 28 -4.584 3.147 -3.082 202 HA LEU 28 HA LEU 28 -5.816 2.783 -0.493 203 1HB LEU 28 2HB LEU 28 -4.096 1.397 -1.425 204 2HB LEU 28 3HB LEU 28 -2.931 2.720 -1.389 205 HG LEU 28 HG LEU 28 -4.316 1.791 1.131 206 1HD1 LEU 28 1HD1 LEU 28 -3.464 -0.192 0.039 207 2HD1 LEU 28 2HD1 LEU 28 -1.873 0.567 -0.186 208 3HD1 LEU 28 3HD1 LEU 28 -2.461 0.180 1.443 209 1HD2 LEU 28 1HD2 LEU 28 -2.192 2.632 2.144 210 2HD2 LEU 28 2HD2 LEU 28 -1.588 3.046 0.530 211 3HD2 LEU 28 3HD2 LEU 28 -2.990 3.890 1.220 212 H LYS 29 H LYS 29 -3.327 5.086 -1.745 213 HA LYS 29 HA LYS 29 -3.103 6.718 0.456 214 1HB LYS 29 2HB LYS 29 -1.726 6.904 -1.572 215 2HB LYS 29 3HB LYS 29 -3.104 7.570 -2.451 216 1HG LYS 29 2HG LYS 29 -2.849 9.238 -0.137 217 2HG LYS 29 3HG LYS 29 -1.228 8.857 -0.575 218 1HD LYS 29 2HD LYS 29 -3.207 9.789 -2.708 219 2HD LYS 29 3HD LYS 29 -2.477 10.949 -1.580 220 1HE LYS 29 2HE LYS 29 -0.306 10.484 -2.205 221 2HE LYS 29 3HE LYS 29 -0.695 9.014 -3.132 222 1HZ LYS 29 1HZ LYS 29 -0.045 10.924 -4.340 223 2HZ LYS 29 2HZ LYS 29 -1.613 10.542 -4.759 224 3HZ LYS 29 3HZ LYS 29 -1.288 11.831 -3.765 225 H ARG 30 H ARG 30 -5.796 6.691 -1.848 226 HA ARG 30 HA ARG 30 -6.958 9.123 -1.087 227 1HB ARG 30 2HB ARG 30 -7.729 6.787 -2.623 228 2HB ARG 30 3HB ARG 30 -9.103 7.295 -1.658 229 1HG ARG 30 2HG ARG 30 -7.447 9.122 -3.460 230 2HG ARG 30 3HG ARG 30 -8.937 8.299 -3.950 231 1HD ARG 30 2HD ARG 30 -10.191 9.453 -2.151 232 2HD ARG 30 3HD ARG 30 -8.722 10.338 -1.687 233 HE ARG 30 HE ARG 30 -9.181 10.709 -4.469 234 1HH1 ARG 30 2HH2 ARG 30 -10.528 11.631 -1.353 235 2HH1 ARG 30 1HH2 ARG 30 -11.237 13.120 -1.898 236 1HH2 ARG 30 2HH1 ARG 30 -10.107 12.684 -5.258 237 2HH2 ARG 30 1HH1 ARG 30 -10.981 13.729 -4.189 238 H MET 31 H MET 31 -6.626 6.390 1.001 239 HA MET 31 HA MET 31 -8.962 6.824 2.605 240 1HB MET 31 2HB MET 31 -7.937 5.284 4.147 241 2HB MET 31 3HB MET 31 -7.502 4.791 2.512 242 1HG MET 31 2HG MET 31 -5.271 5.798 2.795 243 2HG MET 31 3HG MET 31 -5.686 6.319 4.412 244 1HE MET 31 1HE MET 31 -5.457 1.879 3.338 245 2HE MET 31 2HE MET 31 -7.012 2.721 3.424 246 3HE MET 31 3HE MET 31 -5.787 3.180 2.193 247 HA PRO 32 HA PRO 32 -7.491 10.228 5.249 248 1HB PRO 32 2HB PRO 32 -8.404 9.473 7.727 249 2HB PRO 32 3HB PRO 32 -9.476 10.124 6.451 250 1HG PRO 32 2HG PRO 32 -8.956 7.209 7.106 251 2HG PRO 32 3HG PRO 32 -10.542 8.016 6.923 252 1HD PRO 32 2HD PRO 32 -9.460 6.642 4.889 253 2HD PRO 32 3HD PRO 32 -10.252 8.201 4.554 254 H GLY 33 H GLY 33 -5.527 10.502 6.317 255 1HA GLY 33 2HA GLY 33 -3.896 10.009 7.838 256 2HA GLY 33 3HA GLY 33 -4.379 8.320 7.893 257 H VAL 34 H VAL 34 -4.150 8.150 4.776 258 HA VAL 34 HA VAL 34 -1.174 7.984 4.675 259 HB VAL 34 HB VAL 34 -3.259 7.103 2.684 260 1HG1 VAL 34 1HG1 VAL 34 -1.113 7.591 1.569 261 2HG1 VAL 34 2HG1 VAL 34 -0.225 6.701 2.815 262 3HG1 VAL 34 3HG1 VAL 34 -1.296 5.838 1.701 263 1HG2 VAL 34 1HG2 VAL 34 -2.767 4.846 3.399 264 2HG2 VAL 34 2HG2 VAL 34 -1.543 5.377 4.535 265 3HG2 VAL 34 3HG2 VAL 34 -3.227 5.780 4.844 266 H THR 35 H THR 35 0.093 9.376 3.489 267 HA THR 35 HA THR 35 -1.377 11.584 2.107 268 HB THR 35 HB THR 35 0.455 11.781 4.201 269 HG1 THR 35 1HG THR 35 -0.530 13.681 2.361 270 1HG2 THR 35 1HG2 THR 35 1.690 12.917 1.647 271 2HG2 THR 35 2HG2 THR 35 2.228 13.191 3.313 272 3HG2 THR 35 3HG2 THR 35 2.365 11.573 2.603 273 H ASP 36 H ASP 36 1.400 9.278 1.776 274 HA ASP 36 HA ASP 36 0.829 9.268 -1.043 275 1HB ASP 36 2HB ASP 36 3.232 10.681 -0.105 276 2HB ASP 36 3HB ASP 36 3.611 9.342 -1.183 277 H ALA 37 H ALA 37 2.103 7.627 -2.180 278 HA ALA 37 HA ALA 37 3.017 5.431 -0.595 279 1HB ALA 37 1HB ALA 37 0.447 5.315 -0.331 280 2HB ALA 37 2HB ALA 37 0.392 4.927 -2.055 281 3HB ALA 37 3HB ALA 37 1.243 3.854 -0.912 282 H ASN 38 H ASN 38 3.942 3.690 -1.881 283 HA ASN 38 HA ASN 38 4.372 4.304 -4.737 284 1HB ASN 38 2HB ASN 38 6.997 4.253 -3.692 285 2HB ASN 38 3HB ASN 38 6.147 5.608 -4.411 286 1HD2 ASN 38 1HD2 ASN 38 5.892 4.013 -1.167 287 2HD2 ASN 38 2HD2 ASN 38 6.224 5.503 -0.284 288 H VAL 39 H VAL 39 4.449 2.331 -5.639 289 HA VAL 39 HA VAL 39 5.064 0.023 -3.974 290 HB VAL 39 HB VAL 39 3.052 0.211 -5.339 291 1HG1 VAL 39 1HG1 VAL 39 4.020 1.255 -7.410 292 2HG1 VAL 39 2HG1 VAL 39 4.755 -0.314 -7.811 293 3HG1 VAL 39 3HG1 VAL 39 3.022 -0.173 -7.698 294 1HG2 VAL 39 1HG2 VAL 39 4.470 -2.188 -6.380 295 2HG2 VAL 39 2HG2 VAL 39 4.345 -1.984 -4.617 296 3HG2 VAL 39 3HG2 VAL 39 2.886 -2.006 -5.598 297 H ASN 40 H ASN 40 7.236 -0.379 -3.690 298 HA ASN 40 HA ASN 40 9.123 0.193 -5.894 299 1HB ASN 40 2HB ASN 40 9.573 0.837 -3.513 300 2HB ASN 40 3HB ASN 40 9.663 -0.885 -3.103 301 1HD2 ASN 40 1HD2 ASN 40 11.881 0.353 -2.469 302 2HD2 ASN 40 2HD2 ASN 40 13.145 0.151 -3.674 303 H LEU 41 H LEU 41 7.505 -1.520 -6.892 304 HA LEU 41 HA LEU 41 7.919 -4.269 -6.186 305 1HB LEU 41 2HB LEU 41 6.137 -2.801 -7.820 306 2HB LEU 41 3HB LEU 41 6.955 -3.866 -8.939 307 HG LEU 41 HG LEU 41 4.783 -4.655 -7.939 308 1HD1 LEU 41 1HD1 LEU 41 5.516 -6.998 -7.700 309 2HD1 LEU 41 2HD1 LEU 41 6.317 -6.207 -9.068 310 3HD1 LEU 41 3HD1 LEU 41 7.202 -6.474 -7.551 311 1HD2 LEU 41 1HD2 LEU 41 6.259 -5.560 -5.463 312 2HD2 LEU 41 2HD2 LEU 41 5.489 -3.970 -5.502 313 3HD2 LEU 41 3HD2 LEU 41 4.528 -5.433 -5.783 314 H ALA 42 H ALA 42 9.719 -2.065 -8.104 315 HA ALA 42 HA ALA 42 11.359 -3.677 -9.679 316 1HB ALA 42 1HB ALA 42 12.170 -1.362 -7.875 317 2HB ALA 42 2HB ALA 42 13.103 -2.002 -9.239 318 3HB ALA 42 3HB ALA 42 11.536 -1.216 -9.535 319 H THR 43 H THR 43 11.334 -3.372 -6.084 320 HA THR 43 HA THR 43 13.330 -5.604 -6.027 321 HB THR 43 HB THR 43 14.277 -3.553 -5.154 322 HG1 THR 43 1HG THR 43 13.756 -5.661 -3.352 323 1HG2 THR 43 1HG2 THR 43 12.307 -3.804 -2.834 324 2HG2 THR 43 2HG2 THR 43 13.562 -2.576 -3.063 325 3HG2 THR 43 3HG2 THR 43 12.146 -2.614 -4.132 326 H GLU 44 H GLU 44 10.329 -5.625 -6.293 327 HA GLU 44 HA GLU 44 8.519 -6.590 -5.446 328 1HB GLU 44 2HB GLU 44 10.557 -8.410 -5.510 329 2HB GLU 44 3HB GLU 44 10.014 -8.586 -3.847 330 1HG GLU 44 2HG GLU 44 7.618 -8.754 -4.869 331 2HG GLU 44 3HG GLU 44 8.429 -8.915 -6.443 332 H THR 45 H THR 45 9.000 -4.331 -3.940 333 HA THR 45 HA THR 45 7.761 -5.156 -1.390 334 HB THR 45 HB THR 45 9.971 -3.059 -1.676 335 HG1 THR 45 1HG THR 45 10.150 -5.842 -1.415 336 1HG2 THR 45 1HG2 THR 45 8.531 -2.986 0.321 337 2HG2 THR 45 2HG2 THR 45 8.887 -4.719 0.607 338 3HG2 THR 45 3HG2 THR 45 10.187 -3.502 0.739 339 H VAL 46 H VAL 46 6.448 -3.440 -0.439 340 HA VAL 46 HA VAL 46 5.859 -1.156 -2.279 341 HB VAL 46 HB VAL 46 3.981 -2.669 -2.341 342 1HG1 VAL 46 1HG1 VAL 46 3.842 -2.372 0.674 343 2HG1 VAL 46 2HG1 VAL 46 2.643 -3.192 -0.341 344 3HG1 VAL 46 3HG1 VAL 46 4.262 -3.876 -0.191 345 1HG2 VAL 46 1HG2 VAL 46 3.461 -0.275 -2.359 346 2HG2 VAL 46 2HG2 VAL 46 2.220 -1.228 -1.516 347 3HG2 VAL 46 3HG2 VAL 46 3.353 -0.254 -0.583 348 H ASN 47 H ASN 47 5.647 0.888 -1.302 349 HA ASN 47 HA ASN 47 6.290 1.019 1.582 350 1HB ASN 47 2HB ASN 47 7.480 2.583 -0.753 351 2HB ASN 47 3HB ASN 47 7.470 3.225 0.893 352 1HD2 ASN 47 1HD2 ASN 47 8.340 1.603 2.630 353 2HD2 ASN 47 2HD2 ASN 47 9.913 0.966 2.174 354 H VAL 48 H VAL 48 5.164 2.724 2.689 355 HA VAL 48 HA VAL 48 3.175 4.209 1.122 356 HB VAL 48 HB VAL 48 2.024 2.174 1.534 357 1HG1 VAL 48 1HG1 VAL 48 2.841 2.441 4.440 358 2HG1 VAL 48 2HG1 VAL 48 1.584 1.338 3.847 359 3HG1 VAL 48 3HG1 VAL 48 3.259 1.146 3.313 360 1HG2 VAL 48 1HG2 VAL 48 0.771 4.267 1.741 361 2HG2 VAL 48 2HG2 VAL 48 0.107 2.986 2.758 362 3HG2 VAL 48 3HG2 VAL 48 1.055 4.296 3.485 363 H ILE 49 H ILE 49 2.926 6.197 1.915 364 HA ILE 49 HA ILE 49 4.737 6.919 4.113 365 HB ILE 49 HB ILE 49 3.778 8.704 1.848 366 1HG1 ILE 49 2HG1 ILE 49 4.913 6.902 0.734 367 2HG1 ILE 49 3HG1 ILE 49 5.884 8.365 0.711 368 1HG2 ILE 49 1HG2 ILE 49 4.619 9.909 3.758 369 2HG2 ILE 49 2HG2 ILE 49 6.078 8.918 3.830 370 3HG2 ILE 49 3HG2 ILE 49 5.802 10.008 2.452 371 1HD1 ILE 49 1HD1 ILE 49 7.273 7.461 2.598 372 2HD1 ILE 49 2HD1 ILE 49 6.337 5.950 2.507 373 3HD1 ILE 49 3HD1 ILE 49 7.332 6.472 1.139 374 H TYR 50 H TYR 50 3.271 6.847 5.871 375 HA TYR 50 HA TYR 50 0.801 8.528 5.702 376 1HB TYR 50 2HB TYR 50 -0.591 6.752 6.439 377 2HB TYR 50 3HB TYR 50 0.345 6.164 5.075 378 HD1 TYR 50 HD1 TYR 50 2.095 4.407 5.454 379 HD2 TYR 50 HD2 TYR 50 -0.340 5.878 8.672 380 HE1 TYR 50 HE1 TYR 50 2.298 2.227 6.614 381 HE2 TYR 50 HE2 TYR 50 0.149 3.835 9.966 382 HH TYR 50 HH TYR 50 1.675 0.984 8.463 383 H ASP 51 H ASP 51 -0.357 8.514 7.777 384 HA ASP 51 HA ASP 51 1.580 9.284 9.858 385 1HB ASP 51 2HB ASP 51 -0.139 10.890 9.220 386 2HB ASP 51 3HB ASP 51 -1.416 9.749 9.672 387 HA PRO 52 HA PRO 52 0.425 5.287 11.646 388 1HB PRO 52 2HB PRO 52 2.483 4.811 13.286 389 2HB PRO 52 3HB PRO 52 2.643 4.722 11.515 390 1HG PRO 52 2HG PRO 52 3.299 7.109 13.305 391 2HG PRO 52 3HG PRO 52 4.370 6.359 12.085 392 1HD PRO 52 2HD PRO 52 2.836 8.559 11.543 393 2HD PRO 52 3HD PRO 52 3.137 7.292 10.315 394 H ALA 53 H ALA 53 0.156 8.451 12.960 395 HA ALA 53 HA ALA 53 -0.701 7.506 15.613 396 1HB ALA 53 1HB ALA 53 -1.073 10.179 14.213 397 2HB ALA 53 2HB ALA 53 -1.304 9.815 15.929 398 3HB ALA 53 3HB ALA 53 0.332 9.780 15.233 399 H GLU 54 H GLU 54 -1.850 7.956 12.277 400 HA GLU 54 HA GLU 54 -4.611 8.139 13.283 401 1HB GLU 54 2HB GLU 54 -3.509 10.059 11.884 402 2HB GLU 54 3HB GLU 54 -3.879 9.022 10.497 403 1HG GLU 54 2HG GLU 54 -6.278 8.903 11.366 404 2HG GLU 54 3HG GLU 54 -5.815 10.072 12.614 405 H THR 55 H THR 55 -2.677 6.836 10.608 406 HA THR 55 HA THR 55 -4.409 4.460 10.520 407 HB THR 55 HB THR 55 -2.812 3.976 8.339 408 HG1 THR 55 1HG THR 55 -3.294 6.738 8.518 409 1HG2 THR 55 1HG2 THR 55 -4.764 4.715 7.061 410 2HG2 THR 55 2HG2 THR 55 -5.223 3.726 8.464 411 3HG2 THR 55 3HG2 THR 55 -5.452 5.514 8.503 412 H GLY 56 H GLY 56 -3.075 2.612 9.749 413 1HA GLY 56 2HA GLY 56 -0.589 2.027 11.040 414 2HA GLY 56 3HA GLY 56 -1.990 1.283 11.845 415 H THR 57 H THR 57 -2.160 -0.741 11.044 416 HA THR 57 HA THR 57 -1.396 -1.581 8.353 417 HB THR 57 HB THR 57 -1.966 -3.801 9.511 418 HG1 THR 57 1HG THR 57 -2.261 -3.591 11.784 419 1HG2 THR 57 1HG2 THR 57 0.371 -2.867 9.455 420 2HG2 THR 57 2HG2 THR 57 0.058 -1.941 10.930 421 3HG2 THR 57 3HG2 THR 57 0.057 -3.713 10.981 422 H ALA 58 H ALA 58 -4.113 -1.043 10.485 423 HA ALA 58 HA ALA 58 -6.062 -2.534 9.532 424 1HB ALA 58 1HB ALA 58 -6.401 0.304 10.541 425 2HB ALA 58 2HB ALA 58 -7.674 -0.935 10.487 426 3HB ALA 58 3HB ALA 58 -6.258 -1.162 11.532 427 H ALA 59 H ALA 59 -5.605 0.723 8.317 428 HA ALA 59 HA ALA 59 -8.060 0.437 6.662 429 1HB ALA 59 1HB ALA 59 -7.603 2.715 5.915 430 2HB ALA 59 2HB ALA 59 -7.481 2.615 7.683 431 3HB ALA 59 3HB ALA 59 -6.005 2.656 6.691 432 H ILE 60 H ILE 60 -4.607 0.373 6.341 433 HA ILE 60 HA ILE 60 -4.267 0.123 3.536 434 HB ILE 60 HB ILE 60 -2.709 -0.327 6.061 435 1HG1 ILE 60 2HG1 ILE 60 -1.992 0.907 3.448 436 2HG1 ILE 60 3HG1 ILE 60 -3.115 1.768 4.482 437 1HG2 ILE 60 1HG2 ILE 60 -1.826 -1.445 3.371 438 2HG2 ILE 60 2HG2 ILE 60 -0.772 -1.142 4.774 439 3HG2 ILE 60 3HG2 ILE 60 -2.054 -2.347 4.890 440 1HD1 ILE 60 1HD1 ILE 60 -0.805 2.593 4.835 441 2HD1 ILE 60 2HD1 ILE 60 -1.555 1.955 6.293 442 3HD1 ILE 60 3HD1 ILE 60 -0.327 0.992 5.441 443 H GLN 61 H GLN 61 -4.612 -2.545 5.979 444 HA GLN 61 HA GLN 61 -4.551 -4.510 3.889 445 1HB GLN 61 2HB GLN 61 -5.055 -4.520 6.768 446 2HB GLN 61 3HB GLN 61 -6.198 -5.534 5.880 447 1HG GLN 61 2HG GLN 61 -4.645 -7.095 6.254 448 2HG GLN 61 3HG GLN 61 -4.091 -6.539 4.681 449 1HE2 GLN 61 1HE2 GLN 61 -2.924 -3.990 5.842 450 2HE2 GLN 61 2HE2 GLN 61 -1.478 -4.533 6.683 451 H GLU 62 H GLU 62 -7.297 -2.811 5.515 452 HA GLU 62 HA GLU 62 -9.452 -3.984 4.195 453 1HB GLU 62 2HB GLU 62 -8.886 -1.267 5.371 454 2HB GLU 62 3HB GLU 62 -10.304 -1.426 4.351 455 1HG GLU 62 2HG GLU 62 -11.114 -3.301 5.773 456 2HG GLU 62 3HG GLU 62 -9.708 -3.073 6.834 457 H LYS 63 H LYS 63 -7.708 -1.020 3.039 458 HA LYS 63 HA LYS 63 -9.140 -0.934 0.589 459 1HB LYS 63 2HB LYS 63 -6.659 0.329 1.754 460 2HB LYS 63 3HB LYS 63 -7.030 0.520 0.073 461 1HG LYS 63 2HG LYS 63 -8.877 1.331 2.360 462 2HG LYS 63 3HG LYS 63 -7.821 2.386 1.414 463 1HD LYS 63 2HD LYS 63 -9.589 2.900 0.283 464 2HD LYS 63 3HD LYS 63 -9.171 1.477 -0.670 465 1HE LYS 63 2HE LYS 63 -10.948 0.179 0.397 466 2HE LYS 63 3HE LYS 63 -11.102 1.347 1.714 467 1HZ LYS 63 1HZ LYS 63 -12.863 1.511 0.117 468 2HZ LYS 63 2HZ LYS 63 -12.002 2.907 0.173 469 3HZ LYS 63 3HZ LYS 63 -11.804 1.871 -1.092 470 H ILE 64 H ILE 64 -6.042 -2.513 1.526 471 HA ILE 64 HA ILE 64 -5.007 -3.090 -0.944 472 HB ILE 64 HB ILE 64 -4.885 -4.149 1.784 473 1HG1 ILE 64 2HG1 ILE 64 -3.398 -2.400 0.758 474 2HG1 ILE 64 3HG1 ILE 64 -2.613 -3.744 1.579 475 1HG2 ILE 64 1HG2 ILE 64 -3.459 -6.047 1.212 476 2HG2 ILE 64 2HG2 ILE 64 -5.191 -6.265 0.976 477 3HG2 ILE 64 3HG2 ILE 64 -4.141 -5.977 -0.438 478 1HD1 ILE 64 1HD1 ILE 64 -2.936 -3.477 -1.434 479 2HD1 ILE 64 2HD1 ILE 64 -1.448 -3.264 -0.482 480 3HD1 ILE 64 3HD1 ILE 64 -2.216 -4.860 -0.598 481 H GLU 65 H GLU 65 -7.269 -5.012 1.118 482 HA GLU 65 HA GLU 65 -7.959 -7.038 -0.741 483 1HB GLU 65 2HB GLU 65 -9.333 -5.838 1.693 484 2HB GLU 65 3HB GLU 65 -10.087 -7.132 0.760 485 1HG GLU 65 2HG GLU 65 -7.257 -7.429 1.780 486 2HG GLU 65 3HG GLU 65 -8.647 -7.773 2.809 487 H LYS 66 H LYS 66 -9.769 -4.025 0.077 488 HA LYS 66 HA LYS 66 -11.829 -4.526 -1.745 489 1HB LYS 66 2HB LYS 66 -11.005 -2.308 -0.061 490 2HB LYS 66 3HB LYS 66 -11.545 -1.666 -1.608 491 1HG LYS 66 2HG LYS 66 -13.124 -3.663 0.067 492 2HG LYS 66 3HG LYS 66 -13.330 -1.910 0.161 493 1HD LYS 66 2HD LYS 66 -13.916 -1.820 -2.254 494 2HD LYS 66 3HD LYS 66 -13.739 -3.577 -2.374 495 1HE LYS 66 2HE LYS 66 -15.526 -3.865 -0.640 496 2HE LYS 66 3HE LYS 66 -15.745 -2.108 -0.593 497 1HZ LYS 66 1HZ LYS 66 -17.349 -3.167 -2.008 498 2HZ LYS 66 2HZ LYS 66 -16.380 -2.204 -2.920 499 3HZ LYS 66 3HZ LYS 66 -16.177 -3.838 -2.944 500 H LEU 67 H LEU 67 -8.730 -2.988 -2.391 501 HA LEU 67 HA LEU 67 -9.343 -2.194 -5.113 502 1HB LEU 67 2HB LEU 67 -6.812 -2.433 -3.459 503 2HB LEU 67 3HB LEU 67 -6.763 -1.990 -5.165 504 HG LEU 67 HG LEU 67 -8.653 -0.472 -3.355 505 1HD1 LEU 67 1HD1 LEU 67 -5.655 -0.049 -3.489 506 2HD1 LEU 67 2HD1 LEU 67 -6.808 1.195 -2.969 507 3HD1 LEU 67 3HD1 LEU 67 -6.638 -0.309 -2.064 508 1HD2 LEU 67 1HD2 LEU 67 -8.659 -0.143 -5.850 509 2HD2 LEU 67 2HD2 LEU 67 -8.230 1.318 -4.955 510 3HD2 LEU 67 3HD2 LEU 67 -6.966 0.367 -5.758 511 H GLY 68 H GLY 68 -8.627 -5.233 -3.641 512 1HA GLY 68 2HA GLY 68 -8.926 -7.246 -4.726 513 2HA GLY 68 3HA GLY 68 -8.595 -6.510 -6.298 514 H TYR 69 H TYR 69 -6.624 -6.306 -3.264 515 HA TYR 69 HA TYR 69 -4.470 -7.924 -4.544 516 1HB TYR 69 2HB TYR 69 -4.532 -5.051 -3.958 517 2HB TYR 69 3HB TYR 69 -3.257 -5.849 -3.067 518 HD1 TYR 69 HD1 TYR 69 -4.721 -5.576 -6.508 519 HD2 TYR 69 HD2 TYR 69 -1.254 -6.542 -4.139 520 HE1 TYR 69 HE1 TYR 69 -3.341 -5.470 -8.512 521 HE2 TYR 69 HE2 TYR 69 0.151 -6.352 -6.131 522 HH TYR 69 HH TYR 69 -1.182 -5.433 -9.337 523 H HIS 70 H HIS 70 -2.684 -8.228 -2.799 524 HA HIS 70 HA HIS 70 -3.702 -8.313 -0.059 525 1HB HIS 70 2HB HIS 70 -4.341 -10.492 -1.025 526 2HB HIS 70 3HB HIS 70 -2.663 -10.788 -1.484 527 HD1 HIS 70 1HD HIS 70 -2.731 -12.991 0.082 528 HD2 HIS 70 2HD HIS 70 -3.484 -9.343 2.040 529 HE1 HIS 70 1HE HIS 70 -2.665 -13.469 2.587 530 H VAL 71 H VAL 71 -2.062 -7.820 1.336 531 HA VAL 71 HA VAL 71 0.674 -7.441 0.239 532 HB VAL 71 HB VAL 71 -0.706 -5.406 0.867 533 1HG1 VAL 71 1HG1 VAL 71 -1.758 -6.299 2.959 534 2HG1 VAL 71 2HG1 VAL 71 -0.162 -6.249 3.738 535 3HG1 VAL 71 3HG1 VAL 71 -0.923 -4.753 3.179 536 1HG2 VAL 71 1HG2 VAL 71 1.129 -4.236 1.917 537 2HG2 VAL 71 2HG2 VAL 71 1.922 -5.790 2.293 538 3HG2 VAL 71 3HG2 VAL 71 1.676 -5.277 0.602 539 H VAL 72 H VAL 72 2.375 -8.291 1.506 540 HA VAL 72 HA VAL 72 1.539 -10.192 3.659 541 HB VAL 72 HB VAL 72 3.845 -10.359 1.816 542 1HG1 VAL 72 1HG1 VAL 72 4.515 -11.288 3.945 543 2HG1 VAL 72 2HG1 VAL 72 3.009 -12.226 4.055 544 3HG1 VAL 72 3HG1 VAL 72 4.225 -12.611 2.819 545 1HG2 VAL 72 1HG2 VAL 72 1.347 -12.104 2.064 546 2HG2 VAL 72 2HG2 VAL 72 1.667 -10.970 0.736 547 3HG2 VAL 72 3HG2 VAL 72 2.692 -12.398 0.944 548 H ILE 73 H ILE 73 2.605 -10.160 5.482 549 HA ILE 73 HA ILE 73 4.056 -7.636 6.141 550 HB ILE 73 HB ILE 73 2.358 -9.400 7.916 551 1HG1 ILE 73 2HG1 ILE 73 0.916 -8.338 6.272 552 2HG1 ILE 73 3HG1 ILE 73 0.736 -7.584 7.848 553 1HG2 ILE 73 1HG2 ILE 73 3.780 -6.745 8.368 554 2HG2 ILE 73 2HG2 ILE 73 2.469 -7.350 9.412 555 3HG2 ILE 73 3HG2 ILE 73 3.971 -8.253 9.269 556 1HD1 ILE 73 1HD1 ILE 73 2.250 -6.410 5.483 557 2HD1 ILE 73 2HD1 ILE 73 0.699 -5.881 6.146 558 3HD1 ILE 73 3HD1 ILE 73 2.171 -5.675 7.104 559 H GLU 74 H GLU 74 6.032 -8.801 5.310 560 HA GLU 74 HA GLU 74 7.183 -10.798 6.900 561 1HB GLU 74 2HB GLU 74 8.094 -8.969 4.696 562 2HB GLU 74 3HB GLU 74 9.264 -9.917 5.605 563 1HG GLU 74 2HG GLU 74 6.847 -11.283 4.382 564 2HG GLU 74 3HG GLU 74 8.318 -10.976 3.445 565 H GLY 75 H GLY 75 6.471 -7.880 7.866 566 1HA GLY 75 2HA GLY 75 9.031 -7.131 9.224 567 2HA GLY 75 3HA GLY 75 7.683 -6.066 8.783 568 H ARG 76 H ARG 76 6.018 -8.499 10.006 569 HA ARG 76 HA ARG 76 6.272 -8.156 12.841 570 1HB ARG 76 2HB ARG 76 5.351 -5.872 11.878 571 2HB ARG 76 3HB ARG 76 3.953 -6.821 11.434 572 1HG ARG 76 2HG ARG 76 3.197 -6.053 13.414 573 2HG ARG 76 3HG ARG 76 3.997 -7.473 14.068 574 1HD ARG 76 2HD ARG 76 5.575 -4.861 13.861 575 2HD ARG 76 3HD ARG 76 4.298 -5.010 15.050 576 HE ARG 76 HE ARG 76 5.414 -6.513 16.290 577 1HH1 ARG 76 2HH2 ARG 76 7.316 -6.233 13.234 578 2HH1 ARG 76 1HH2 ARG 76 8.762 -6.731 13.987 579 1HH2 ARG 76 2HH1 ARG 76 7.359 -7.271 17.196 580 2HH2 ARG 76 1HH1 ARG 76 8.785 -7.422 16.223
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