NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542030 | 2lta | 18465 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -2.191 17.224 -8.009 2 H2 MET 1 2H MET 1 -2.867 18.647 -8.628 3 H3 MET 1 3H MET 1 -1.297 18.649 -8.009 4 HA MET 1 HA MET 1 -2.145 17.058 -10.331 5 HB2 MET 1 2HB MET 1 -2.344 19.516 -10.774 6 HB3 MET 1 3HB MET 1 -0.655 19.723 -10.328 7 HG2 MET 1 2HG MET 1 -0.931 19.718 -12.764 8 HG3 MET 1 3HG MET 1 0.027 18.331 -12.244 9 HE1 MET 1 3HE MET 1 -3.938 18.777 -12.047 10 HE2 MET 1 1HE MET 1 -4.406 18.034 -13.575 11 HE3 MET 1 2HE MET 1 -3.494 19.543 -13.574 12 H GLY 2 H GLY 2 -0.515 15.841 -11.230 13 HA2 GLY 2 2HA GLY 2 1.905 15.342 -11.405 14 HA3 GLY 2 3HA GLY 2 2.007 15.616 -9.669 15 H SER 3 H SER 3 1.276 13.376 -12.150 16 HA SER 3 HA SER 3 -0.174 11.421 -10.796 17 HB2 SER 3 2HB SER 3 1.889 11.104 -13.018 18 HB3 SER 3 3HB SER 3 0.744 9.855 -12.510 19 HG SER 3 HG SER 3 -0.945 11.347 -13.027 20 H LYS 4 H LYS 4 0.350 10.468 -8.998 21 HA LYS 4 HA LYS 4 2.968 9.233 -8.573 22 HB2 LYS 4 2HB LYS 4 3.343 11.225 -7.309 23 HB3 LYS 4 3HB LYS 4 1.691 11.291 -6.721 24 HG2 LYS 4 2HG LYS 4 2.083 9.723 -5.020 25 HG3 LYS 4 3HG LYS 4 3.459 9.002 -5.852 26 HD2 LYS 4 2HD LYS 4 4.025 10.351 -3.776 27 HD3 LYS 4 3HD LYS 4 4.906 10.795 -5.233 28 HE2 LYS 4 2HE LYS 4 3.343 12.721 -5.542 29 HE3 LYS 4 3HE LYS 4 2.565 12.289 -4.020 30 HZ1 LYS 4 3HZ LYS 4 4.682 12.620 -2.889 31 HZ2 LYS 4 1HZ LYS 4 4.204 14.029 -3.697 32 HZ3 LYS 4 2HZ LYS 4 5.419 13.051 -4.347 33 H ILE 5 H ILE 5 2.796 7.376 -7.252 34 HA ILE 5 HA ILE 5 0.136 6.704 -6.167 35 HB ILE 5 HB ILE 5 0.465 4.318 -6.688 36 HG12 ILE 5 2HG1 ILE 5 2.971 5.185 -8.207 37 HG13 ILE 5 3HG1 ILE 5 2.936 4.228 -6.730 38 HG21 ILE 5 1HG2 ILE 5 -0.003 4.369 -9.083 39 HG22 ILE 5 2HG2 ILE 5 0.706 5.982 -9.218 40 HG23 ILE 5 3HG2 ILE 5 -0.778 5.746 -8.295 41 HD11 ILE 5 3HD1 ILE 5 3.362 2.844 -8.652 42 HD12 ILE 5 1HD1 ILE 5 1.863 3.372 -9.414 43 HD13 ILE 5 2HD1 ILE 5 1.815 2.420 -7.927 44 H ILE 6 H ILE 6 0.182 5.591 -4.249 45 HA ILE 6 HA ILE 6 2.792 5.420 -2.846 46 HB ILE 6 HB ILE 6 0.023 5.718 -1.581 47 HG12 ILE 6 2HG1 ILE 6 0.687 7.836 -2.702 48 HG13 ILE 6 3HG1 ILE 6 0.642 8.020 -0.958 49 HG21 ILE 6 1HG2 ILE 6 2.776 5.785 -0.297 50 HG22 ILE 6 2HG2 ILE 6 1.611 4.463 -0.188 51 HG23 ILE 6 3HG2 ILE 6 1.236 6.026 0.527 52 HD11 ILE 6 3HD1 ILE 6 3.094 7.913 -0.900 53 HD12 ILE 6 1HD1 ILE 6 2.497 9.217 -1.927 54 HD13 ILE 6 2HD1 ILE 6 3.116 7.737 -2.658 55 H VAL 7 H VAL 7 3.247 3.494 -1.889 56 HA VAL 7 HA VAL 7 1.339 1.254 -2.202 57 HB VAL 7 HB VAL 7 4.391 1.073 -2.275 58 HG11 VAL 7 1HG1 VAL 7 2.289 -1.118 -2.490 59 HG12 VAL 7 2HG1 VAL 7 3.417 -0.876 -1.153 60 HG13 VAL 7 3HG1 VAL 7 4.022 -1.340 -2.742 61 HG21 VAL 7 3HG2 VAL 7 4.104 0.340 -4.622 62 HG22 VAL 7 1HG2 VAL 7 3.460 1.967 -4.386 63 HG23 VAL 7 2HG2 VAL 7 2.360 0.589 -4.497 64 H ILE 8 H ILE 8 0.568 0.682 -0.314 65 HA ILE 8 HA ILE 8 2.055 1.312 2.160 66 HB ILE 8 HB ILE 8 -0.968 1.207 1.722 67 HG12 ILE 8 2HG1 ILE 8 0.942 3.496 2.394 68 HG13 ILE 8 3HG1 ILE 8 0.038 3.287 0.902 69 HG21 ILE 8 1HG2 ILE 8 -0.415 0.235 3.917 70 HG22 ILE 8 2HG2 ILE 8 -1.191 1.805 4.116 71 HG23 ILE 8 3HG2 ILE 8 0.556 1.655 4.319 72 HD11 ILE 8 3HD1 ILE 8 -0.925 5.015 2.264 73 HD12 ILE 8 1HD1 ILE 8 -1.132 3.897 3.613 74 HD13 ILE 8 2HD1 ILE 8 -2.043 3.664 2.119 75 H ILE 9 H ILE 9 2.483 -0.291 3.420 76 HA ILE 9 HA ILE 9 1.910 -3.040 2.553 77 HB ILE 9 HB ILE 9 4.299 -1.907 4.087 78 HG12 ILE 9 2HG1 ILE 9 5.606 -3.023 2.149 79 HG13 ILE 9 3HG1 ILE 9 4.067 -3.193 1.325 80 HG21 ILE 9 1HG2 ILE 9 3.696 -4.057 5.109 81 HG22 ILE 9 2HG2 ILE 9 5.209 -4.207 4.214 82 HG23 ILE 9 3HG2 ILE 9 3.712 -4.838 3.524 83 HD11 ILE 9 3HD1 ILE 9 3.852 -0.761 1.236 84 HD12 ILE 9 1HD1 ILE 9 5.367 -1.299 0.511 85 HD13 ILE 9 2HD1 ILE 9 5.366 -0.587 2.125 86 H SER 10 H SER 10 0.207 -3.712 3.710 87 HA SER 10 HA SER 10 -0.468 -2.707 6.325 88 HB2 SER 10 2HB SER 10 -2.296 -3.303 4.852 89 HB3 SER 10 3HB SER 10 -1.649 -4.927 4.610 90 HG SER 10 HG SER 10 -3.162 -3.917 6.678 91 H SER 11 H SER 11 -0.092 -3.713 8.273 92 HA SER 11 HA SER 11 1.441 -6.200 8.365 93 HB2 SER 11 2HB SER 11 3.174 -4.985 9.842 94 HB3 SER 11 3HB SER 11 3.245 -4.616 8.118 95 HG SER 11 HG SER 11 2.522 -2.634 8.485 96 H ASP 12 H ASP 12 -0.549 -6.875 9.227 97 HA ASP 12 HA ASP 12 -1.816 -7.723 10.868 98 HB2 ASP 12 2HB ASP 12 -0.002 -6.184 12.756 99 HB3 ASP 12 3HB ASP 12 -1.342 -7.171 13.330 100 H ASP 13 H ASP 13 -1.238 -4.300 11.732 101 HA ASP 13 HA ASP 13 -3.974 -3.958 12.649 102 HB2 ASP 13 2HB ASP 13 -1.888 -2.983 13.755 103 HB3 ASP 13 3HB ASP 13 -1.778 -1.856 12.409 104 H THR 14 H THR 14 -5.290 -2.034 11.895 105 HA THR 14 HA THR 14 -5.483 -2.230 8.958 106 HB THR 14 HB THR 14 -7.684 -1.411 10.903 107 HG1 THR 14 HG1 THR 14 -6.562 -3.875 10.402 108 HG21 THR 14 3HG2 THR 14 -9.214 -2.186 9.126 109 HG22 THR 14 1HG2 THR 14 -7.844 -2.570 8.090 110 HG23 THR 14 2HG2 THR 14 -8.175 -0.890 8.526 111 H THR 15 H THR 15 -4.673 0.148 11.336 112 HA THR 15 HA THR 15 -5.791 2.477 10.302 113 HB THR 15 HB THR 15 -3.092 2.266 11.698 114 HG1 THR 15 HG1 THR 15 -4.315 1.581 13.276 115 HG21 THR 15 3HG2 THR 15 -3.473 4.531 10.747 116 HG22 THR 15 1HG2 THR 15 -3.555 4.558 12.514 117 HG23 THR 15 2HG2 THR 15 -5.038 4.607 11.559 118 H LEU 16 H LEU 16 -3.181 0.647 9.034 119 HA LEU 16 HA LEU 16 -1.759 2.693 7.636 120 HB2 LEU 16 2HB LEU 16 -1.793 -0.308 7.090 121 HB3 LEU 16 3HB LEU 16 -0.640 0.837 6.432 122 HG LEU 16 HG LEU 16 -0.011 1.311 8.951 123 HD11 LEU 16 1HD1 LEU 16 -1.317 -1.407 9.273 124 HD12 LEU 16 2HD1 LEU 16 -1.825 0.104 10.028 125 HD13 LEU 16 3HD1 LEU 16 -0.278 -0.615 10.467 126 HD21 LEU 16 3HD2 LEU 16 1.521 0.291 7.349 127 HD22 LEU 16 1HD2 LEU 16 0.803 -1.296 7.638 128 HD23 LEU 16 2HD2 LEU 16 1.673 -0.466 8.931 129 H GLU 17 H GLU 17 -4.231 0.343 6.681 130 HA GLU 17 HA GLU 17 -4.339 1.257 3.917 131 HB2 GLU 17 2HB GLU 17 -6.087 -0.552 3.681 132 HB3 GLU 17 3HB GLU 17 -4.486 -1.094 4.151 133 HG2 GLU 17 2HG GLU 17 -6.270 -0.574 6.450 134 HG3 GLU 17 3HG GLU 17 -6.863 -1.823 5.376 135 H GLU 18 H GLU 18 -6.209 1.852 6.874 136 HA GLU 18 HA GLU 18 -8.476 2.965 5.453 137 HB2 GLU 18 2HB GLU 18 -9.256 3.862 7.558 138 HB3 GLU 18 3HB GLU 18 -8.639 2.243 7.862 139 HG2 GLU 18 2HG GLU 18 -6.576 3.176 8.784 140 HG3 GLU 18 3HG GLU 18 -7.118 4.806 8.417 141 H LEU 19 H LEU 19 -5.409 4.231 6.733 142 HA LEU 19 HA LEU 19 -5.793 6.960 6.097 143 HB2 LEU 19 2HB LEU 19 -3.290 5.267 6.406 144 HB3 LEU 19 3HB LEU 19 -3.188 6.973 5.989 145 HG LEU 19 HG LEU 19 -4.528 5.917 8.515 146 HD11 LEU 19 1HD1 LEU 19 -1.769 7.150 8.236 147 HD12 LEU 19 2HD1 LEU 19 -2.131 5.464 8.612 148 HD13 LEU 19 3HD1 LEU 19 -2.575 6.729 9.754 149 HD21 LEU 19 3HD2 LEU 19 -4.492 8.262 9.253 150 HD22 LEU 19 1HD2 LEU 19 -5.453 8.053 7.791 151 HD23 LEU 19 2HD2 LEU 19 -3.835 8.753 7.690 152 H ALA 20 H ALA 20 -4.769 4.205 4.154 153 HA ALA 20 HA ALA 20 -3.806 5.375 1.845 154 HB1 ALA 20 3HB ALA 20 -3.771 2.961 2.270 155 HB2 ALA 20 1HB ALA 20 -4.488 3.308 0.696 156 HB3 ALA 20 2HB ALA 20 -5.522 2.884 2.061 157 H ARG 21 H ARG 21 -7.177 5.053 2.867 158 HA ARG 21 HA ARG 21 -8.459 5.835 0.461 159 HB2 ARG 21 2HB ARG 21 -9.577 4.717 2.418 160 HB3 ARG 21 3HB ARG 21 -9.438 6.215 3.328 161 HG2 ARG 21 2HG ARG 21 -10.907 7.342 1.681 162 HG3 ARG 21 3HG ARG 21 -11.032 5.835 0.771 163 HD2 ARG 21 2HD ARG 21 -12.073 4.759 2.773 164 HD3 ARG 21 3HD ARG 21 -12.023 6.322 3.600 165 HE ARG 21 HE ARG 21 -13.364 6.681 1.164 166 HH11 ARG 21 1HH1 ARG 21 -13.902 4.979 4.201 167 HH12 ARG 21 2HH1 ARG 21 -15.630 5.065 4.082 168 HH21 ARG 21 1HH2 ARG 21 -15.634 6.784 1.023 169 HH22 ARG 21 2HH2 ARG 21 -16.613 6.091 2.277 170 H LYS 22 H LYS 22 -7.205 7.654 3.217 171 HA LYS 22 HA LYS 22 -8.149 10.239 2.442 172 HB2 LYS 22 2HB LYS 22 -5.831 9.538 4.298 173 HB3 LYS 22 3HB LYS 22 -6.656 11.090 4.215 174 HG2 LYS 22 2HG LYS 22 -7.887 8.473 5.151 175 HG3 LYS 22 3HG LYS 22 -7.333 9.781 6.194 176 HD2 LYS 22 2HD LYS 22 -9.594 9.991 4.169 177 HD3 LYS 22 3HD LYS 22 -9.804 9.761 5.904 178 HE2 LYS 22 2HE LYS 22 -8.434 12.169 4.658 179 HE3 LYS 22 3HE LYS 22 -10.125 12.127 5.147 180 HZ1 LYS 22 3HZ LYS 22 -9.500 11.850 7.400 181 HZ2 LYS 22 1HZ LYS 22 -8.607 13.140 6.787 182 HZ3 LYS 22 2HZ LYS 22 -7.871 11.636 7.010 183 H ILE 23 H ILE 23 -5.120 8.441 1.942 184 HA ILE 23 HA ILE 23 -3.607 10.437 0.669 185 HB ILE 23 HB ILE 23 -3.462 7.415 0.695 186 HG12 ILE 23 2HG1 ILE 23 -1.113 7.919 1.531 187 HG13 ILE 23 3HG1 ILE 23 -1.526 9.625 1.504 188 HG21 ILE 23 1HG2 ILE 23 -2.905 7.911 -1.644 189 HG22 ILE 23 2HG2 ILE 23 -1.472 7.380 -0.768 190 HG23 ILE 23 3HG2 ILE 23 -1.701 9.092 -1.129 191 HD11 ILE 23 3HD1 ILE 23 -1.647 8.732 3.729 192 HD12 ILE 23 1HD1 ILE 23 -2.792 7.496 3.209 193 HD13 ILE 23 2HD1 ILE 23 -3.259 9.197 3.185 194 H LYS 24 H LYS 24 -5.598 7.817 -0.847 195 HA LYS 24 HA LYS 24 -5.135 8.762 -3.486 196 HB2 LYS 24 2HB LYS 24 -6.932 7.235 -4.211 197 HB3 LYS 24 3HB LYS 24 -5.739 6.457 -3.195 198 HG2 LYS 24 2HG LYS 24 -7.248 6.299 -1.359 199 HG3 LYS 24 3HG LYS 24 -8.394 7.419 -2.107 200 HD2 LYS 24 2HD LYS 24 -9.142 5.049 -2.278 201 HD3 LYS 24 3HD LYS 24 -8.911 5.802 -3.856 202 HE2 LYS 24 2HE LYS 24 -6.560 4.693 -3.823 203 HE3 LYS 24 3HE LYS 24 -7.187 3.722 -2.492 204 HZ1 LYS 24 3HZ LYS 24 -7.473 2.578 -4.572 205 HZ2 LYS 24 1HZ LYS 24 -8.318 3.878 -5.236 206 HZ3 LYS 24 2HZ LYS 24 -8.989 2.993 -3.963 207 H ASP 25 H ASP 25 -7.412 9.693 -1.061 208 HA ASP 25 HA ASP 25 -9.391 10.980 -2.590 209 HB2 ASP 25 2HB ASP 25 -9.546 10.483 -0.143 210 HB3 ASP 25 3HB ASP 25 -8.363 11.744 0.182 211 H GLU 26 H GLU 26 -6.122 11.917 -1.775 212 HA GLU 26 HA GLU 26 -6.323 14.715 -2.357 213 HB2 GLU 26 2HB GLU 26 -3.870 12.911 -2.268 214 HB3 GLU 26 3HB GLU 26 -3.834 14.668 -2.279 215 HG2 GLU 26 2HG GLU 26 -5.031 12.954 -0.079 216 HG3 GLU 26 3HG GLU 26 -3.437 13.701 -0.034 217 H GLY 27 H GLY 27 -6.429 12.050 -4.432 218 HA2 GLY 27 2HA GLY 27 -7.069 12.399 -6.701 219 HA3 GLY 27 3HA GLY 27 -6.059 13.832 -6.769 220 H LEU 28 H LEU 28 -4.836 10.890 -5.366 221 HA LEU 28 HA LEU 28 -3.510 10.073 -7.889 222 HB2 LEU 28 2HB LEU 28 -1.534 9.377 -6.574 223 HB3 LEU 28 3HB LEU 28 -1.779 11.109 -6.558 224 HG LEU 28 HG LEU 28 -2.793 9.457 -4.224 225 HD11 LEU 28 1HD1 LEU 28 0.075 10.414 -4.491 226 HD12 LEU 28 2HD1 LEU 28 -0.458 8.732 -4.527 227 HD13 LEU 28 3HD1 LEU 28 -0.663 9.687 -3.059 228 HD21 LEU 28 3HD2 LEU 28 -1.709 12.292 -4.402 229 HD22 LEU 28 1HD2 LEU 28 -2.389 11.518 -2.968 230 HD23 LEU 28 2HD2 LEU 28 -3.417 11.842 -4.361 231 H GLU 29 H GLU 29 -2.621 7.667 -7.572 232 HA GLU 29 HA GLU 29 -4.812 6.055 -6.435 233 HB2 GLU 29 2HB GLU 29 -4.095 5.746 -8.818 234 HB3 GLU 29 3HB GLU 29 -2.511 5.240 -8.262 235 HG2 GLU 29 2HG GLU 29 -3.815 3.295 -8.890 236 HG3 GLU 29 3HG GLU 29 -3.536 3.272 -7.149 237 H VAL 30 H VAL 30 -4.375 4.161 -5.151 238 HA VAL 30 HA VAL 30 -1.724 3.968 -3.827 239 HB VAL 30 HB VAL 30 -4.418 3.281 -2.529 240 HG11 VAL 30 1HG1 VAL 30 -3.121 3.059 -0.429 241 HG12 VAL 30 2HG1 VAL 30 -1.626 3.368 -1.308 242 HG13 VAL 30 3HG1 VAL 30 -2.563 1.911 -1.644 243 HG21 VAL 30 3HG2 VAL 30 -4.122 5.251 -1.117 244 HG22 VAL 30 1HG2 VAL 30 -4.183 5.710 -2.819 245 HG23 VAL 30 2HG2 VAL 30 -2.636 5.668 -1.975 246 H TYR 31 H TYR 31 -0.972 1.885 -3.454 247 HA TYR 31 HA TYR 31 -2.527 -0.479 -4.325 248 HB2 TYR 31 2HB TYR 31 0.452 0.066 -4.794 249 HB3 TYR 31 3HB TYR 31 -0.294 -1.516 -5.003 250 HD1 TYR 31 HD2 TYR 31 0.023 1.885 -6.432 251 HD2 TYR 31 HD1 TYR 31 -1.750 -1.971 -6.941 252 HE1 TYR 31 HE2 TYR 31 -0.568 2.460 -8.747 253 HE2 TYR 31 HE1 TYR 31 -2.338 -1.389 -9.254 254 HH TYR 31 HH TYR 31 -2.726 0.605 -10.615 255 H ILE 32 H ILE 32 -2.573 -2.044 -2.729 256 HA ILE 32 HA ILE 32 -0.992 -1.518 -0.268 257 HB ILE 32 HB ILE 32 -3.480 -3.259 -0.564 258 HG12 ILE 32 2HG1 ILE 32 -3.996 -0.817 -0.964 259 HG13 ILE 32 3HG1 ILE 32 -4.825 -1.498 0.427 260 HG21 ILE 32 1HG2 ILE 32 -3.579 -3.190 1.915 261 HG22 ILE 32 2HG2 ILE 32 -2.056 -2.299 1.942 262 HG23 ILE 32 3HG2 ILE 32 -2.099 -3.952 1.327 263 HD11 ILE 32 3HD1 ILE 32 -2.363 0.236 0.550 264 HD12 ILE 32 1HD1 ILE 32 -3.281 -0.390 1.925 265 HD13 ILE 32 2HD1 ILE 32 -4.025 0.763 0.819 266 H LEU 33 H LEU 33 0.682 -2.940 0.166 267 HA LEU 33 HA LEU 33 0.594 -5.660 -0.999 268 HB2 LEU 33 2HB LEU 33 2.925 -4.146 0.261 269 HB3 LEU 33 3HB LEU 33 3.005 -5.802 -0.328 270 HG LEU 33 HG LEU 33 2.603 -3.287 -1.978 271 HD11 LEU 33 1HD1 LEU 33 4.835 -5.334 -2.026 272 HD12 LEU 33 2HD1 LEU 33 4.918 -3.705 -1.352 273 HD13 LEU 33 3HD1 LEU 33 4.686 -3.924 -3.082 274 HD21 LEU 33 3HD2 LEU 33 2.450 -6.155 -2.937 275 HD22 LEU 33 1HD2 LEU 33 2.503 -4.724 -3.970 276 HD23 LEU 33 2HD2 LEU 33 1.134 -4.979 -2.896 277 H LEU 34 H LEU 34 -0.364 -7.056 0.281 278 HA LEU 34 HA LEU 34 -0.662 -6.507 3.129 279 HB2 LEU 34 2HB LEU 34 -2.307 -7.711 1.156 280 HB3 LEU 34 3HB LEU 34 -1.832 -9.049 2.166 281 HG LEU 34 HG LEU 34 -3.941 -8.252 2.978 282 HD11 LEU 34 1HD1 LEU 34 -1.800 -7.250 4.880 283 HD12 LEU 34 2HD1 LEU 34 -2.456 -8.886 4.785 284 HD13 LEU 34 3HD1 LEU 34 -3.489 -7.560 5.294 285 HD21 LEU 34 3HD2 LEU 34 -4.348 -5.920 3.675 286 HD22 LEU 34 1HD2 LEU 34 -3.983 -6.060 1.958 287 HD23 LEU 34 2HD2 LEU 34 -2.751 -5.469 3.072 288 H LYS 35 H LYS 35 0.605 -7.418 4.659 289 HA LYS 35 HA LYS 35 1.651 -10.151 4.253 290 HB2 LYS 35 2HB LYS 35 3.662 -9.574 5.636 291 HB3 LYS 35 3HB LYS 35 3.629 -8.750 4.085 292 HG2 LYS 35 2HG LYS 35 3.184 -6.650 5.067 293 HG3 LYS 35 3HG LYS 35 2.648 -7.371 6.582 294 HD2 LYS 35 2HD LYS 35 4.836 -6.331 6.886 295 HD3 LYS 35 3HD LYS 35 4.971 -8.077 7.078 296 HE2 LYS 35 2HE LYS 35 5.918 -8.260 4.812 297 HE3 LYS 35 3HE LYS 35 5.740 -6.518 4.582 298 HZ1 LYS 35 3HZ LYS 35 7.996 -7.033 5.203 299 HZ2 LYS 35 1HZ LYS 35 7.487 -7.861 6.591 300 HZ3 LYS 35 2HZ LYS 35 7.268 -6.186 6.469 301 H ASP 36 H ASP 36 0.856 -11.489 5.719 302 HA ASP 36 HA ASP 36 0.170 -10.597 8.455 303 HB2 ASP 36 2HB ASP 36 -1.892 -10.618 7.000 304 HB3 ASP 36 3HB ASP 36 -1.613 -12.319 6.668 305 H LYS 37 H LYS 37 0.008 -12.484 9.972 306 HA LYS 37 HA LYS 37 2.228 -14.256 9.758 307 HB2 LYS 37 2HB LYS 37 1.456 -13.434 11.929 308 HB3 LYS 37 3HB LYS 37 -0.105 -14.210 11.717 309 HG2 LYS 37 2HG LYS 37 1.237 -15.472 13.294 310 HG3 LYS 37 3HG LYS 37 0.990 -16.431 11.835 311 HD2 LYS 37 2HD LYS 37 3.287 -15.801 11.073 312 HD3 LYS 37 3HD LYS 37 3.521 -14.902 12.575 313 HE2 LYS 37 2HE LYS 37 3.247 -16.997 13.862 314 HE3 LYS 37 3HE LYS 37 3.013 -17.891 12.358 315 HZ1 LYS 37 3HZ LYS 37 5.255 -17.255 11.685 316 HZ2 LYS 37 1HZ LYS 37 5.277 -18.107 13.142 317 HZ3 LYS 37 2HZ LYS 37 5.484 -16.426 13.140 318 H ASP 38 H ASP 38 -1.214 -14.653 9.186 319 HA ASP 38 HA ASP 38 -0.850 -17.484 8.372 320 HB2 ASP 38 2HB ASP 38 -2.276 -17.331 10.353 321 HB3 ASP 38 3HB ASP 38 -3.272 -16.084 9.609 322 H GLU 39 H GLU 39 -0.907 -17.658 6.229 323 HA GLU 39 HA GLU 39 -1.501 -15.583 4.466 324 HB2 GLU 39 2HB GLU 39 -1.091 -18.543 3.902 325 HB3 GLU 39 3HB GLU 39 -1.161 -17.296 2.661 326 HG2 GLU 39 2HG GLU 39 0.815 -16.182 3.680 327 HG3 GLU 39 3HG GLU 39 0.908 -17.477 4.872 328 H LYS 40 H LYS 40 -3.747 -17.764 5.866 329 HA LYS 40 HA LYS 40 -5.683 -17.702 3.685 330 HB2 LYS 40 2HB LYS 40 -5.921 -18.705 6.559 331 HB3 LYS 40 3HB LYS 40 -7.220 -18.804 5.380 332 HG2 LYS 40 2HG LYS 40 -6.204 -20.966 5.514 333 HG3 LYS 40 3HG LYS 40 -5.748 -20.269 3.960 334 HD2 LYS 40 2HD LYS 40 -3.512 -19.709 4.859 335 HD3 LYS 40 3HD LYS 40 -3.976 -20.346 6.439 336 HE2 LYS 40 2HE LYS 40 -3.889 -22.016 3.899 337 HE3 LYS 40 3HE LYS 40 -2.566 -21.912 5.059 338 HZ1 LYS 40 3HZ LYS 40 -3.908 -22.904 6.726 339 HZ2 LYS 40 1HZ LYS 40 -4.028 -23.869 5.346 340 HZ3 LYS 40 2HZ LYS 40 -5.295 -22.831 5.764 341 H ARG 41 H ARG 41 -5.304 -16.272 6.913 342 HA ARG 41 HA ARG 41 -7.582 -14.527 6.813 343 HB2 ARG 41 2HB ARG 41 -6.560 -15.337 8.923 344 HB3 ARG 41 3HB ARG 41 -5.080 -14.458 8.556 345 HG2 ARG 41 2HG ARG 41 -6.340 -12.314 8.716 346 HG3 ARG 41 3HG ARG 41 -7.800 -13.223 9.134 347 HD2 ARG 41 2HD ARG 41 -6.666 -12.306 11.137 348 HD3 ARG 41 3HD ARG 41 -6.720 -14.074 11.163 349 HE ARG 41 HE ARG 41 -4.315 -12.615 10.229 350 HH11 ARG 41 1HH1 ARG 41 -5.722 -15.007 12.397 351 HH12 ARG 41 2HH1 ARG 41 -4.180 -15.527 13.002 352 HH21 ARG 41 1HH2 ARG 41 -2.337 -13.316 11.005 353 HH22 ARG 41 2HH2 ARG 41 -2.259 -14.564 12.209 354 H LEU 42 H LEU 42 -4.235 -14.306 5.873 355 HA LEU 42 HA LEU 42 -3.942 -11.632 5.138 356 HB2 LEU 42 2HB LEU 42 -2.138 -13.296 5.247 357 HB3 LEU 42 3HB LEU 42 -2.872 -14.218 3.955 358 HG LEU 42 HG LEU 42 -2.322 -12.410 2.342 359 HD11 LEU 42 1HD1 LEU 42 -0.865 -10.583 2.992 360 HD12 LEU 42 2HD1 LEU 42 -0.940 -11.093 4.680 361 HD13 LEU 42 3HD1 LEU 42 -2.393 -10.511 3.862 362 HD21 LEU 42 3HD2 LEU 42 0.111 -12.765 2.306 363 HD22 LEU 42 1HD2 LEU 42 -0.744 -14.266 2.663 364 HD23 LEU 42 2HD2 LEU 42 0.061 -13.379 3.961 365 H GLU 43 H GLU 43 -5.120 -14.449 3.278 366 HA GLU 43 HA GLU 43 -5.432 -13.155 0.802 367 HB2 GLU 43 2HB GLU 43 -5.128 -15.570 0.976 368 HB3 GLU 43 3HB GLU 43 -6.636 -15.740 1.867 369 HG2 GLU 43 2HG GLU 43 -7.918 -15.097 -0.110 370 HG3 GLU 43 3HG GLU 43 -6.435 -14.776 -1.003 371 H GLU 44 H GLU 44 -7.781 -13.759 3.446 372 HA GLU 44 HA GLU 44 -10.066 -12.823 2.009 373 HB2 GLU 44 2HB GLU 44 -11.218 -12.693 4.190 374 HB3 GLU 44 3HB GLU 44 -10.364 -14.221 4.012 375 HG2 GLU 44 2HG GLU 44 -8.560 -13.402 5.456 376 HG3 GLU 44 3HG GLU 44 -9.362 -11.844 5.597 377 H LYS 45 H LYS 45 -7.661 -11.254 4.110 378 HA LYS 45 HA LYS 45 -8.807 -8.721 4.472 379 HB2 LYS 45 2HB LYS 45 -6.783 -9.561 5.670 380 HB3 LYS 45 3HB LYS 45 -5.855 -9.411 4.186 381 HG2 LYS 45 2HG LYS 45 -5.257 -7.406 5.151 382 HG3 LYS 45 3HG LYS 45 -6.706 -6.858 4.322 383 HD2 LYS 45 2HD LYS 45 -6.630 -6.006 6.614 384 HD3 LYS 45 3HD LYS 45 -7.993 -7.120 6.422 385 HE2 LYS 45 2HE LYS 45 -6.754 -8.902 7.518 386 HE3 LYS 45 3HE LYS 45 -5.289 -7.918 7.557 387 HZ1 LYS 45 3HZ LYS 45 -6.452 -6.369 9.018 388 HZ2 LYS 45 1HZ LYS 45 -6.330 -7.918 9.686 389 HZ3 LYS 45 2HZ LYS 45 -7.792 -7.390 9.038 390 H ILE 46 H ILE 46 -6.704 -9.970 1.924 391 HA ILE 46 HA ILE 46 -6.260 -7.754 0.313 392 HB ILE 46 HB ILE 46 -6.708 -10.673 -0.483 393 HG12 ILE 46 2HG1 ILE 46 -4.084 -9.152 -0.088 394 HG13 ILE 46 3HG1 ILE 46 -4.781 -10.272 1.073 395 HG21 ILE 46 1HG2 ILE 46 -5.481 -8.493 -2.203 396 HG22 ILE 46 2HG2 ILE 46 -7.052 -9.247 -2.461 397 HG23 ILE 46 3HG2 ILE 46 -5.580 -10.204 -2.620 398 HD11 ILE 46 3HD1 ILE 46 -4.527 -12.092 -0.569 399 HD12 ILE 46 1HD1 ILE 46 -2.999 -11.330 -0.135 400 HD13 ILE 46 2HD1 ILE 46 -3.758 -10.956 -1.681 401 H GLN 47 H GLN 47 -8.975 -10.073 0.267 402 HA GLN 47 HA GLN 47 -10.413 -8.877 -1.892 403 HB2 GLN 47 2HB GLN 47 -11.438 -10.790 0.258 404 HB3 GLN 47 3HB GLN 47 -12.216 -10.457 -1.287 405 HG2 GLN 47 2HG GLN 47 -9.534 -11.820 -0.901 406 HG3 GLN 47 3HG GLN 47 -11.053 -12.619 -1.294 407 HE21 GLN 47 1HE2 GLN 47 -8.459 -10.624 -2.510 408 HE22 GLN 47 2HE2 GLN 47 -8.844 -10.784 -4.184 409 H LYS 48 H LYS 48 -10.473 -8.421 1.626 410 HA LYS 48 HA LYS 48 -12.970 -7.066 1.853 411 HB2 LYS 48 2HB LYS 48 -10.511 -6.765 3.641 412 HB3 LYS 48 3HB LYS 48 -12.143 -6.261 4.059 413 HG2 LYS 48 2HG LYS 48 -11.109 -9.085 3.736 414 HG3 LYS 48 3HG LYS 48 -11.622 -8.305 5.226 415 HD2 LYS 48 2HD LYS 48 -13.440 -8.992 2.885 416 HD3 LYS 48 3HD LYS 48 -13.278 -9.941 4.361 417 HE2 LYS 48 2HE LYS 48 -14.199 -8.127 5.692 418 HE3 LYS 48 3HE LYS 48 -14.238 -7.062 4.282 419 HZ1 LYS 48 3HZ LYS 48 -15.789 -9.580 4.572 420 HZ2 LYS 48 1HZ LYS 48 -15.842 -8.526 3.249 421 HZ3 LYS 48 2HZ LYS 48 -16.409 -8.021 4.757 422 H LEU 49 H LEU 49 -9.641 -5.953 1.426 423 HA LEU 49 HA LEU 49 -10.276 -3.154 1.431 424 HB2 LEU 49 2HB LEU 49 -7.745 -4.630 0.637 425 HB3 LEU 49 3HB LEU 49 -7.873 -2.881 0.749 426 HG LEU 49 HG LEU 49 -8.202 -4.815 3.081 427 HD11 LEU 49 1HD1 LEU 49 -5.887 -4.728 2.292 428 HD12 LEU 49 2HD1 LEU 49 -6.050 -3.966 3.872 429 HD13 LEU 49 3HD1 LEU 49 -5.889 -2.966 2.425 430 HD21 LEU 49 3HD2 LEU 49 -9.553 -2.785 3.371 431 HD22 LEU 49 1HD2 LEU 49 -8.125 -1.782 3.079 432 HD23 LEU 49 2HD2 LEU 49 -8.205 -2.826 4.503 433 H LYS 50 H LYS 50 -9.776 -5.640 -1.124 434 HA LYS 50 HA LYS 50 -9.756 -3.812 -3.315 435 HB2 LYS 50 2HB LYS 50 -10.378 -6.798 -3.233 436 HB3 LYS 50 3HB LYS 50 -10.316 -5.863 -4.723 437 HG2 LYS 50 2HG LYS 50 -7.902 -5.231 -4.012 438 HG3 LYS 50 3HG LYS 50 -8.043 -6.535 -2.839 439 HD2 LYS 50 2HD LYS 50 -6.896 -7.342 -4.837 440 HD3 LYS 50 3HD LYS 50 -8.466 -8.139 -4.703 441 HE2 LYS 50 2HE LYS 50 -9.402 -6.758 -6.440 442 HE3 LYS 50 3HE LYS 50 -7.997 -5.689 -6.435 443 HZ1 LYS 50 3HZ LYS 50 -6.650 -7.424 -7.335 444 HZ2 LYS 50 1HZ LYS 50 -8.020 -7.257 -8.313 445 HZ3 LYS 50 2HZ LYS 50 -7.909 -8.553 -7.229 446 H SER 51 H SER 51 -12.340 -5.504 -1.576 447 HA SER 51 HA SER 51 -14.559 -4.647 -3.039 448 HB2 SER 51 2HB SER 51 -14.681 -6.303 -1.202 449 HB3 SER 51 3HB SER 51 -14.309 -5.044 -0.022 450 HG SER 51 HG SER 51 -16.278 -4.055 -0.515 451 H GLN 52 H GLN 52 -12.759 -3.014 -0.425 452 HA GLN 52 HA GLN 52 -14.320 -0.614 -0.383 453 HB2 GLN 52 2HB GLN 52 -11.462 -1.048 0.593 454 HB3 GLN 52 3HB GLN 52 -12.455 0.361 0.956 455 HG2 GLN 52 2HG GLN 52 -14.080 -1.164 2.111 456 HG3 GLN 52 3HG GLN 52 -12.947 -2.488 1.856 457 HE21 GLN 52 1HE2 GLN 52 -10.565 -0.765 2.400 458 HE22 GLN 52 2HE2 GLN 52 -10.571 -0.520 4.109 459 H GLY 53 H GLY 53 -11.732 -1.703 -2.443 460 HA2 GLY 53 2HA GLY 53 -11.597 -0.717 -4.656 461 HA3 GLY 53 3HA GLY 53 -11.819 0.869 -3.933 462 H PHE 54 H PHE 54 -9.684 -1.577 -2.601 463 HA PHE 54 HA PHE 54 -7.298 0.020 -3.337 464 HB2 PHE 54 2HB PHE 54 -7.733 -1.817 -0.926 465 HB3 PHE 54 3HB PHE 54 -6.229 -0.981 -1.299 466 HD1 PHE 54 HD2 PHE 54 -6.311 1.604 -1.429 467 HD2 PHE 54 HD1 PHE 54 -9.354 -0.749 0.449 468 HE1 PHE 54 HE2 PHE 54 -7.088 3.576 -0.193 469 HE2 PHE 54 HE1 PHE 54 -10.122 1.242 1.682 470 HZ PHE 54 HZ PHE 54 -8.984 3.405 1.343 471 H GLU 55 H GLU 55 -6.221 -0.982 -4.979 472 HA GLU 55 HA GLU 55 -6.487 -3.751 -5.588 473 HB2 GLU 55 2HB GLU 55 -6.008 -2.113 -7.374 474 HB3 GLU 55 3HB GLU 55 -4.466 -1.713 -6.625 475 HG2 GLU 55 2HG GLU 55 -4.240 -3.219 -8.601 476 HG3 GLU 55 3HG GLU 55 -3.569 -3.911 -7.126 477 H VAL 56 H VAL 56 -5.849 -5.038 -3.975 478 HA VAL 56 HA VAL 56 -3.282 -4.654 -2.618 479 HB VAL 56 HB VAL 56 -5.425 -6.733 -1.994 480 HG11 VAL 56 1HG1 VAL 56 -3.090 -5.702 -0.348 481 HG12 VAL 56 2HG1 VAL 56 -3.191 -7.280 -1.133 482 HG13 VAL 56 3HG1 VAL 56 -4.288 -6.883 0.191 483 HG21 VAL 56 3HG2 VAL 56 -6.409 -4.501 -1.733 484 HG22 VAL 56 1HG2 VAL 56 -5.066 -4.011 -0.702 485 HG23 VAL 56 2HG2 VAL 56 -6.177 -5.268 -0.161 486 H ARG 57 H ARG 57 -1.614 -5.992 -2.887 487 HA ARG 57 HA ARG 57 -1.827 -8.381 -4.624 488 HB2 ARG 57 2HB ARG 57 -0.063 -6.031 -4.858 489 HB3 ARG 57 3HB ARG 57 0.903 -7.467 -4.604 490 HG2 ARG 57 2HG ARG 57 0.760 -7.075 -6.944 491 HG3 ARG 57 3HG ARG 57 -0.184 -8.517 -6.590 492 HD2 ARG 57 2HD ARG 57 -1.484 -5.796 -6.880 493 HD3 ARG 57 3HD ARG 57 -1.146 -6.812 -8.279 494 HE ARG 57 HE ARG 57 -3.115 -7.297 -6.174 495 HH11 ARG 57 1HH1 ARG 57 -1.684 -8.407 -9.207 496 HH12 ARG 57 2HH1 ARG 57 -2.954 -9.546 -9.514 497 HH21 ARG 57 1HH2 ARG 57 -4.732 -8.835 -6.587 498 HH22 ARG 57 2HH2 ARG 57 -4.667 -9.788 -8.038 499 H LYS 58 H LYS 58 -0.684 -10.198 -3.885 500 HA LYS 58 HA LYS 58 0.010 -10.237 -1.022 501 HB2 LYS 58 2HB LYS 58 -1.629 -11.905 -2.070 502 HB3 LYS 58 3HB LYS 58 -0.282 -12.595 -2.953 503 HG2 LYS 58 2HG LYS 58 -0.357 -12.474 0.081 504 HG3 LYS 58 3HG LYS 58 -1.048 -13.816 -0.829 505 HD2 LYS 58 2HD LYS 58 1.168 -14.341 -1.776 506 HD3 LYS 58 3HD LYS 58 1.870 -12.953 -0.947 507 HE2 LYS 58 2HE LYS 58 1.224 -14.036 1.235 508 HE3 LYS 58 3HE LYS 58 0.755 -15.472 0.322 509 HZ1 LYS 58 3HZ LYS 58 2.975 -15.727 1.144 510 HZ2 LYS 58 1HZ LYS 58 3.463 -14.258 0.456 511 HZ3 LYS 58 2HZ LYS 58 3.046 -15.563 -0.539 512 H VAL 59 H VAL 59 2.103 -10.260 -0.420 513 HA VAL 59 HA VAL 59 4.236 -10.910 -2.387 514 HB VAL 59 HB VAL 59 5.685 -9.221 -1.146 515 HG11 VAL 59 1HG1 VAL 59 4.776 -7.232 -2.290 516 HG12 VAL 59 2HG1 VAL 59 3.234 -8.059 -2.526 517 HG13 VAL 59 3HG1 VAL 59 4.688 -8.657 -3.329 518 HG21 VAL 59 3HG2 VAL 59 4.552 -7.468 0.221 519 HG22 VAL 59 1HG2 VAL 59 4.412 -9.068 0.956 520 HG23 VAL 59 2HG2 VAL 59 3.037 -8.365 0.102 521 H LYS 60 H LYS 60 6.384 -11.346 -1.086 522 HA LYS 60 HA LYS 60 5.890 -13.287 1.037 523 HB2 LYS 60 2HB LYS 60 8.529 -12.347 -0.179 524 HB3 LYS 60 3HB LYS 60 8.356 -13.670 0.967 525 HG2 LYS 60 2HG LYS 60 7.174 -13.605 -1.827 526 HG3 LYS 60 3HG LYS 60 8.648 -14.455 -1.352 527 HD2 LYS 60 2HD LYS 60 7.284 -15.846 0.232 528 HD3 LYS 60 3HD LYS 60 5.828 -15.039 -0.362 529 HE2 LYS 60 2HE LYS 60 6.145 -17.232 -1.445 530 HE3 LYS 60 3HE LYS 60 6.248 -15.923 -2.624 531 HZ1 LYS 60 3HZ LYS 60 7.981 -17.597 -2.936 532 HZ2 LYS 60 1HZ LYS 60 8.579 -17.292 -1.387 533 HZ3 LYS 60 2HZ LYS 60 8.642 -16.087 -2.568 534 H ASP 61 H ASP 61 8.423 -10.773 0.946 535 HA ASP 61 HA ASP 61 7.399 -9.385 3.277 536 HB2 ASP 61 2HB ASP 61 8.834 -11.497 4.037 537 HB3 ASP 61 3HB ASP 61 10.213 -10.510 3.577 538 H ASP 62 H ASP 62 10.068 -8.078 3.778 539 HA ASP 62 HA ASP 62 9.369 -5.891 2.076 540 HB2 ASP 62 2HB ASP 62 10.060 -5.652 4.459 541 HB3 ASP 62 3HB ASP 62 11.702 -6.110 4.019 542 H ASP 63 H ASP 63 11.939 -8.226 2.013 543 HA ASP 63 HA ASP 63 13.683 -7.224 0.087 544 HB2 ASP 63 2HB ASP 63 12.740 -10.128 0.227 545 HB3 ASP 63 3HB ASP 63 14.228 -9.554 -0.523 546 H ASP 64 H ASP 64 10.703 -9.089 -0.423 547 HA ASP 64 HA ASP 64 10.796 -8.952 -3.305 548 HB2 ASP 64 2HB ASP 64 8.689 -10.013 -1.370 549 HB3 ASP 64 3HB ASP 64 8.522 -10.099 -3.125 550 H ILE 65 H ILE 65 9.203 -7.224 -0.738 551 HA ILE 65 HA ILE 65 7.368 -5.656 -2.204 552 HB ILE 65 HB ILE 65 8.853 -5.110 0.401 553 HG12 ILE 65 2HG1 ILE 65 5.930 -5.859 -0.088 554 HG13 ILE 65 3HG1 ILE 65 7.189 -7.009 0.341 555 HG21 ILE 65 1HG2 ILE 65 7.272 -3.265 0.857 556 HG22 ILE 65 2HG2 ILE 65 6.611 -3.429 -0.768 557 HG23 ILE 65 3HG2 ILE 65 8.284 -2.926 -0.547 558 HD11 ILE 65 3HD1 ILE 65 5.811 -6.414 2.248 559 HD12 ILE 65 1HD1 ILE 65 6.258 -4.720 2.064 560 HD13 ILE 65 2HD1 ILE 65 7.483 -5.914 2.487 561 H ASP 66 H ASP 66 10.789 -5.032 -1.334 562 HA ASP 66 HA ASP 66 11.131 -2.533 -2.557 563 HB2 ASP 66 2HB ASP 66 12.738 -3.479 -0.952 564 HB3 ASP 66 3HB ASP 66 13.153 -4.767 -2.078 565 H LYS 67 H LYS 67 11.518 -5.788 -3.865 566 HA LYS 67 HA LYS 67 12.446 -5.023 -6.474 567 HB2 LYS 67 2HB LYS 67 11.205 -7.629 -5.495 568 HB3 LYS 67 3HB LYS 67 11.872 -7.404 -7.111 569 HG2 LYS 67 2HG LYS 67 14.103 -6.941 -6.104 570 HG3 LYS 67 3HG LYS 67 13.424 -7.238 -4.502 571 HD2 LYS 67 2HD LYS 67 13.581 -9.267 -6.771 572 HD3 LYS 67 3HD LYS 67 14.637 -9.223 -5.359 573 HE2 LYS 67 2HE LYS 67 12.723 -9.685 -3.889 574 HE3 LYS 67 3HE LYS 67 11.630 -9.665 -5.273 575 HZ1 LYS 67 3HZ LYS 67 13.838 -11.610 -4.837 576 HZ2 LYS 67 1HZ LYS 67 12.794 -11.596 -6.167 577 HZ3 LYS 67 2HZ LYS 67 12.190 -11.920 -4.617 578 H TRP 68 H TRP 68 9.300 -5.572 -5.013 579 HA TRP 68 HA TRP 68 7.717 -5.778 -7.352 580 HB2 TRP 68 2HB TRP 68 7.054 -6.485 -4.979 581 HB3 TRP 68 3HB TRP 68 6.775 -4.789 -4.614 582 HD1 TRP 68 HD1 TRP 68 5.275 -7.752 -6.500 583 HE1 TRP 68 HE1 TRP 68 2.860 -7.214 -7.147 584 HE3 TRP 68 HE3 TRP 68 5.194 -2.780 -5.303 585 HZ2 TRP 68 HZ2 TRP 68 1.133 -4.973 -7.172 586 HZ3 TRP 68 HZ3 TRP 68 3.117 -1.506 -5.660 587 HH2 TRP 68 HH2 TRP 68 1.124 -2.583 -6.585 588 H ILE 69 H ILE 69 8.598 -3.069 -5.234 589 HA ILE 69 HA ILE 69 7.090 -1.068 -6.581 590 HB ILE 69 HB ILE 69 9.241 -1.064 -4.467 591 HG12 ILE 69 2HG1 ILE 69 7.528 0.440 -3.309 592 HG13 ILE 69 3HG1 ILE 69 6.469 0.194 -4.685 593 HG21 ILE 69 1HG2 ILE 69 9.423 1.399 -4.432 594 HG22 ILE 69 2HG2 ILE 69 8.522 1.482 -5.946 595 HG23 ILE 69 3HG2 ILE 69 10.105 0.705 -5.905 596 HD11 ILE 69 3HD1 ILE 69 5.833 -1.213 -2.844 597 HD12 ILE 69 1HD1 ILE 69 7.448 -1.912 -2.769 598 HD13 ILE 69 2HD1 ILE 69 6.419 -2.214 -4.169 599 H ASP 70 H ASP 70 10.480 -2.164 -6.839 600 HA ASP 70 HA ASP 70 11.493 -0.334 -8.702 601 HB2 ASP 70 2HB ASP 70 12.946 -1.907 -7.505 602 HB3 ASP 70 3HB ASP 70 12.170 -3.282 -8.280 603 H LYS 71 H LYS 71 9.643 -3.280 -9.161 604 HA LYS 71 HA LYS 71 9.686 -3.499 -11.961 605 HB2 LYS 71 2HB LYS 71 9.113 -5.408 -10.678 606 HB3 LYS 71 3HB LYS 71 7.923 -4.534 -9.727 607 HG2 LYS 71 2HG LYS 71 6.389 -4.482 -11.597 608 HG3 LYS 71 3HG LYS 71 7.597 -5.218 -12.649 609 HD2 LYS 71 2HD LYS 71 5.926 -6.879 -11.906 610 HD3 LYS 71 3HD LYS 71 7.543 -7.287 -11.325 611 HE2 LYS 71 2HE LYS 71 6.944 -6.248 -9.117 612 HE3 LYS 71 3HE LYS 71 5.301 -6.007 -9.722 613 HZ1 LYS 71 3HZ LYS 71 5.093 -8.390 -10.001 614 HZ2 LYS 71 1HZ LYS 71 5.499 -8.029 -8.405 615 HZ3 LYS 71 2HZ LYS 71 6.670 -8.632 -9.457 616 H ILE 72 H ILE 72 7.373 -1.931 -9.722 617 HA ILE 72 HA ILE 72 5.445 -1.191 -11.676 618 HB ILE 72 HB ILE 72 5.940 0.071 -8.940 619 HG12 ILE 72 2HG1 ILE 72 5.523 -2.373 -8.782 620 HG13 ILE 72 3HG1 ILE 72 4.233 -1.440 -8.053 621 HG21 ILE 72 1HG2 ILE 72 3.561 0.764 -9.038 622 HG22 ILE 72 2HG2 ILE 72 3.465 0.168 -10.696 623 HG23 ILE 72 3HG2 ILE 72 4.533 1.517 -10.304 624 HD11 ILE 72 3HD1 ILE 72 2.817 -1.871 -9.995 625 HD12 ILE 72 1HD1 ILE 72 3.391 -3.361 -9.246 626 HD13 ILE 72 2HD1 ILE 72 4.127 -2.796 -10.745 627 H LYS 73 H LYS 73 8.278 0.472 -10.345 628 HA LYS 73 HA LYS 73 7.961 3.036 -11.498 629 HB2 LYS 73 2HB LYS 73 10.530 1.526 -10.836 630 HB3 LYS 73 3HB LYS 73 10.409 3.264 -11.106 631 HG2 LYS 73 2HG LYS 73 9.107 3.554 -9.087 632 HG3 LYS 73 3HG LYS 73 8.973 1.810 -8.870 633 HD2 LYS 73 2HD LYS 73 10.643 2.724 -7.329 634 HD3 LYS 73 3HD LYS 73 11.417 1.659 -8.504 635 HE2 LYS 73 2HE LYS 73 12.123 3.659 -9.807 636 HE3 LYS 73 3HE LYS 73 11.388 4.691 -8.579 637 HZ1 LYS 73 3HZ LYS 73 12.918 3.729 -6.947 638 HZ2 LYS 73 1HZ LYS 73 13.744 4.493 -8.206 639 HZ3 LYS 73 2HZ LYS 73 13.647 2.806 -8.161 640 H LYS 74 H LYS 74 9.237 0.011 -12.713 641 HA LYS 74 HA LYS 74 10.609 1.091 -15.009 642 HB2 LYS 74 2HB LYS 74 11.247 -0.990 -13.667 643 HB3 LYS 74 3HB LYS 74 9.889 -1.812 -14.424 644 HG2 LYS 74 2HG LYS 74 10.933 -1.442 -16.648 645 HG3 LYS 74 3HG LYS 74 12.298 -0.647 -15.867 646 HD2 LYS 74 2HD LYS 74 11.485 -3.562 -15.508 647 HD3 LYS 74 3HD LYS 74 12.825 -2.984 -16.490 648 HE2 LYS 74 2HE LYS 74 13.813 -3.784 -14.490 649 HE3 LYS 74 3HE LYS 74 13.818 -2.032 -14.322 650 HZ1 LYS 74 3HZ LYS 74 11.782 -3.833 -13.098 651 HZ2 LYS 74 1HZ LYS 74 11.955 -2.170 -12.823 652 HZ3 LYS 74 2HZ LYS 74 13.145 -3.244 -12.290 653 H GLU 75 H GLU 75 7.533 -0.527 -14.363 654 HA GLU 75 HA GLU 75 6.548 -0.631 -17.059 655 HB2 GLU 75 2HB GLU 75 5.016 -0.587 -14.420 656 HB3 GLU 75 3HB GLU 75 4.340 -1.038 -15.984 657 HG2 GLU 75 2HG GLU 75 5.708 -3.029 -16.077 658 HG3 GLU 75 3HG GLU 75 6.595 -2.545 -14.630 659 H ARG 76 H ARG 76 6.368 1.681 -14.409 660 HA ARG 76 HA ARG 76 4.795 3.605 -16.028 661 HB2 ARG 76 2HB ARG 76 4.498 3.119 -13.023 662 HB3 ARG 76 3HB ARG 76 3.517 4.190 -14.020 663 HG2 ARG 76 2HG ARG 76 2.456 2.344 -15.121 664 HG3 ARG 76 3HG ARG 76 3.619 1.198 -14.460 665 HD2 ARG 76 2HD ARG 76 2.695 1.727 -12.159 666 HD3 ARG 76 3HD ARG 76 1.426 2.660 -12.963 667 HE ARG 76 HE ARG 76 0.391 0.706 -13.573 668 HH11 ARG 76 1HH1 ARG 76 3.667 -0.100 -12.554 669 HH12 ARG 76 2HH1 ARG 76 3.404 -1.814 -12.632 670 HH21 ARG 76 1HH2 ARG 76 0.105 -1.566 -13.765 671 HH22 ARG 76 2HH2 ARG 76 1.397 -2.635 -13.317 672 HA PRO 77 HA PRO 77 8.610 5.772 -14.447 673 HB2 PRO 77 2HB PRO 77 9.642 6.619 -16.784 674 HB3 PRO 77 3HB PRO 77 9.751 4.904 -16.331 675 HG2 PRO 77 2HG PRO 77 7.857 6.223 -18.244 676 HG3 PRO 77 3HG PRO 77 8.718 4.676 -18.401 677 HD2 PRO 77 2HD PRO 77 6.064 4.943 -17.539 678 HD3 PRO 77 3HD PRO 77 7.092 3.524 -17.250 679 H GLN 78 H GLN 78 5.758 6.713 -14.741 680 HA GLN 78 HA GLN 78 6.064 9.547 -15.535 681 HB2 GLN 78 2HB GLN 78 3.538 7.878 -15.112 682 HB3 GLN 78 3HB GLN 78 3.576 9.558 -15.641 683 HG2 GLN 78 2HG GLN 78 4.762 8.861 -17.705 684 HG3 GLN 78 3HG GLN 78 4.674 7.185 -17.175 685 HE21 GLN 78 1HE2 GLN 78 1.995 9.469 -16.757 686 HE22 GLN 78 2HE2 GLN 78 0.961 8.733 -17.922 687 H LEU 79 H LEU 79 5.982 7.577 -12.785 688 HA LEU 79 HA LEU 79 4.835 9.635 -11.033 689 HB2 LEU 79 2HB LEU 79 3.427 7.724 -9.966 690 HB3 LEU 79 3HB LEU 79 2.870 8.482 -11.443 691 HG LEU 79 HG LEU 79 3.905 6.477 -12.707 692 HD11 LEU 79 1HD1 LEU 79 4.121 4.366 -11.475 693 HD12 LEU 79 2HD1 LEU 79 3.915 5.233 -9.952 694 HD13 LEU 79 3HD1 LEU 79 5.318 5.557 -10.970 695 HD21 LEU 79 3HD2 LEU 79 1.923 5.076 -12.382 696 HD22 LEU 79 1HD2 LEU 79 1.490 6.784 -12.457 697 HD23 LEU 79 2HD2 LEU 79 1.528 5.952 -10.901 698 H GLU 80 H GLU 80 5.375 9.475 -8.829 699 HA GLU 80 HA GLU 80 7.676 7.942 -8.038 700 HB2 GLU 80 2HB GLU 80 5.637 9.472 -6.366 701 HB3 GLU 80 3HB GLU 80 7.071 8.708 -5.700 702 HG2 GLU 80 2HG GLU 80 8.457 10.256 -7.129 703 HG3 GLU 80 3HG GLU 80 6.966 11.079 -7.586 704 H VAL 81 H VAL 81 7.692 5.935 -7.087 705 HA VAL 81 HA VAL 81 5.134 4.743 -6.149 706 HB VAL 81 HB VAL 81 7.617 3.165 -7.005 707 HG11 VAL 81 1HG1 VAL 81 6.080 1.237 -7.074 708 HG12 VAL 81 2HG1 VAL 81 4.742 2.271 -6.565 709 HG13 VAL 81 3HG1 VAL 81 6.095 1.977 -5.470 710 HG21 VAL 81 3HG2 VAL 81 5.145 3.717 -8.694 711 HG22 VAL 81 1HG2 VAL 81 6.484 2.651 -9.135 712 HG23 VAL 81 2HG2 VAL 81 6.752 4.389 -8.974 713 H ARG 82 H ARG 82 5.083 5.027 -3.999 714 HA ARG 82 HA ARG 82 7.593 5.443 -2.483 715 HB2 ARG 82 2HB ARG 82 5.833 7.260 -2.552 716 HB3 ARG 82 3HB ARG 82 4.706 6.165 -1.766 717 HG2 ARG 82 2HG ARG 82 5.520 7.644 -0.091 718 HG3 ARG 82 3HG ARG 82 6.298 6.085 0.204 719 HD2 ARG 82 2HD ARG 82 7.930 7.866 0.479 720 HD3 ARG 82 3HD ARG 82 8.338 6.935 -0.961 721 HE ARG 82 HE ARG 82 7.681 8.746 -2.326 722 HH11 ARG 82 1HH1 ARG 82 7.389 9.561 1.089 723 HH12 ARG 82 2HH1 ARG 82 7.263 11.267 0.790 724 HH21 ARG 82 1HH2 ARG 82 7.486 11.017 -2.681 725 HH22 ARG 82 2HH2 ARG 82 7.314 12.080 -1.314 726 H LYS 83 H LYS 83 8.103 4.097 -0.728 727 HA LYS 83 HA LYS 83 6.341 1.791 -0.206 728 HB2 LYS 83 2HB LYS 83 9.301 2.267 0.247 729 HB3 LYS 83 3HB LYS 83 8.459 1.014 1.155 730 HG2 LYS 83 2HG LYS 83 7.730 -0.017 -0.985 731 HG3 LYS 83 3HG LYS 83 8.667 1.196 -1.861 732 HD2 LYS 83 2HD LYS 83 9.824 -1.004 -1.638 733 HD3 LYS 83 3HD LYS 83 10.736 0.334 -0.953 734 HE2 LYS 83 2HE LYS 83 10.065 -0.325 1.305 735 HE3 LYS 83 3HE LYS 83 9.039 -1.600 0.651 736 HZ1 LYS 83 3HZ LYS 83 11.132 -2.477 1.457 737 HZ2 LYS 83 1HZ LYS 83 12.004 -1.475 0.416 738 HZ3 LYS 83 2HZ LYS 83 11.018 -2.696 -0.212 739 H VAL 84 H VAL 84 5.123 1.765 1.496 740 HA VAL 84 HA VAL 84 5.810 3.272 3.964 741 HB VAL 84 HB VAL 84 3.088 2.753 2.670 742 HG11 VAL 84 1HG1 VAL 84 2.837 2.488 5.103 743 HG12 VAL 84 2HG1 VAL 84 2.027 3.948 4.540 744 HG13 VAL 84 3HG1 VAL 84 3.581 4.066 5.367 745 HG21 VAL 84 3HG2 VAL 84 4.409 4.630 1.713 746 HG22 VAL 84 1HG2 VAL 84 4.445 5.397 3.304 747 HG23 VAL 84 2HG2 VAL 84 2.911 5.160 2.467 748 H THR 85 H THR 85 6.823 1.485 4.966 749 HA THR 85 HA THR 85 5.426 -1.079 5.143 750 HB THR 85 HB THR 85 7.511 -1.808 6.370 751 HG1 THR 85 HG1 THR 85 8.456 -0.070 7.228 752 HG21 THR 85 3HG2 THR 85 7.981 -0.496 3.661 753 HG22 THR 85 1HG2 THR 85 7.343 -2.123 3.920 754 HG23 THR 85 2HG2 THR 85 9.000 -1.738 4.390 755 H ASP 86 H ASP 86 6.001 1.730 7.091 756 HA ASP 86 HA ASP 86 4.731 0.487 9.469 757 HB2 ASP 86 2HB ASP 86 6.674 2.833 9.283 758 HB3 ASP 86 3HB ASP 86 5.850 2.351 10.764 759 H GLU 87 H GLU 87 3.190 1.714 10.625 760 HA GLU 87 HA GLU 87 1.286 3.225 9.244 761 HB2 GLU 87 2HB GLU 87 0.802 1.973 11.296 762 HB3 GLU 87 3HB GLU 87 1.863 3.025 12.226 763 HG2 GLU 87 2HG GLU 87 0.258 4.939 11.497 764 HG3 GLU 87 3HG GLU 87 -0.860 3.650 11.051 765 H ASP 88 H ASP 88 4.058 4.237 11.217 766 HA ASP 88 HA ASP 88 3.736 6.966 11.450 767 HB2 ASP 88 2HB ASP 88 5.591 5.707 12.473 768 HB3 ASP 88 3HB ASP 88 6.295 5.399 10.890 769 H GLN 89 H GLN 89 4.889 5.107 8.725 770 HA GLN 89 HA GLN 89 5.644 7.315 7.055 771 HB2 GLN 89 2HB GLN 89 5.140 4.413 6.281 772 HB3 GLN 89 3HB GLN 89 6.061 5.603 5.361 773 HG2 GLN 89 2HG GLN 89 7.786 5.668 7.077 774 HG3 GLN 89 3HG GLN 89 6.832 4.608 8.119 775 HE21 GLN 89 1HE2 GLN 89 8.457 3.056 8.212 776 HE22 GLN 89 2HE2 GLN 89 8.858 2.053 6.865 777 H ALA 90 H ALA 90 2.766 5.325 7.479 778 HA ALA 90 HA ALA 90 1.280 6.265 5.253 779 HB1 ALA 90 3HB ALA 90 0.711 4.184 6.420 780 HB2 ALA 90 1HB ALA 90 -0.674 5.278 6.378 781 HB3 ALA 90 2HB ALA 90 0.264 5.097 7.864 782 H LYS 91 H LYS 91 1.790 7.541 8.469 783 HA LYS 91 HA LYS 91 -0.015 9.793 8.096 784 HB2 LYS 91 2HB LYS 91 1.961 9.119 10.306 785 HB3 LYS 91 3HB LYS 91 0.906 10.536 10.325 786 HG2 LYS 91 2HG LYS 91 -1.082 9.115 10.309 787 HG3 LYS 91 3HG LYS 91 -0.085 7.665 10.163 788 HD2 LYS 91 2HD LYS 91 0.868 8.097 12.408 789 HD3 LYS 91 3HD LYS 91 -0.111 9.562 12.548 790 HE2 LYS 91 2HE LYS 91 -2.162 8.248 12.506 791 HE3 LYS 91 3HE LYS 91 -1.251 6.765 12.205 792 HZ1 LYS 91 3HZ LYS 91 -0.277 6.910 14.366 793 HZ2 LYS 91 1HZ LYS 91 -1.950 7.053 14.535 794 HZ3 LYS 91 2HZ LYS 91 -0.968 8.426 14.655 795 H GLN 92 H GLN 92 3.344 9.130 7.450 796 HA GLN 92 HA GLN 92 4.268 11.843 7.302 797 HB2 GLN 92 2HB GLN 92 5.767 9.874 7.625 798 HB3 GLN 92 3HB GLN 92 5.404 9.324 6.000 799 HG2 GLN 92 2HG GLN 92 6.607 12.064 6.375 800 HG3 GLN 92 3HG GLN 92 7.641 10.657 6.554 801 HE21 GLN 92 1HE2 GLN 92 5.833 12.605 4.294 802 HE22 GLN 92 2HE2 GLN 92 6.486 11.902 2.858 803 H ILE 93 H ILE 93 3.219 9.456 4.851 804 HA ILE 93 HA ILE 93 3.359 11.091 2.587 805 HB ILE 93 HB ILE 93 1.677 9.510 1.517 806 HG12 ILE 93 2HG1 ILE 93 1.796 8.264 4.293 807 HG13 ILE 93 3HG1 ILE 93 0.379 8.925 3.491 808 HG21 ILE 93 1HG2 ILE 93 4.121 9.155 1.379 809 HG22 ILE 93 2HG2 ILE 93 3.243 7.626 1.428 810 HG23 ILE 93 3HG2 ILE 93 4.066 8.215 2.873 811 HD11 ILE 93 3HD1 ILE 93 0.316 6.535 3.508 812 HD12 ILE 93 1HD1 ILE 93 1.874 6.451 2.699 813 HD13 ILE 93 2HD1 ILE 93 0.483 7.116 1.852 814 H LEU 94 H LEU 94 0.747 10.893 4.983 815 HA LEU 94 HA LEU 94 -1.216 12.443 3.793 816 HB2 LEU 94 2HB LEU 94 -0.250 12.502 6.678 817 HB3 LEU 94 3HB LEU 94 -1.701 13.332 6.141 818 HG LEU 94 HG LEU 94 -1.283 10.315 6.005 819 HD11 LEU 94 1HD1 LEU 94 -2.867 10.152 7.858 820 HD12 LEU 94 2HD1 LEU 94 -2.972 11.910 7.958 821 HD13 LEU 94 3HD1 LEU 94 -1.454 11.092 8.332 822 HD21 LEU 94 3HD2 LEU 94 -3.690 10.214 5.485 823 HD22 LEU 94 1HD2 LEU 94 -2.798 11.107 4.254 824 HD23 LEU 94 2HD2 LEU 94 -3.763 11.978 5.448 825 H GLU 95 H GLU 95 1.683 13.608 5.526 826 HA GLU 95 HA GLU 95 1.262 16.395 4.950 827 HB2 GLU 95 2HB GLU 95 3.756 14.938 5.932 828 HB3 GLU 95 3HB GLU 95 3.522 16.683 5.944 829 HG2 GLU 95 2HG GLU 95 1.962 14.640 7.554 830 HG3 GLU 95 3HG GLU 95 3.160 15.777 8.171 831 H ASP 96 H ASP 96 2.758 13.787 3.324 832 HA ASP 96 HA ASP 96 4.767 15.112 1.757 833 HB2 ASP 96 2HB ASP 96 4.613 12.615 2.234 834 HB3 ASP 96 3HB ASP 96 3.283 12.528 1.099 835 H LEU 97 H LEU 97 1.426 14.200 1.231 836 HA LEU 97 HA LEU 97 1.288 15.045 -1.519 837 HB2 LEU 97 2HB LEU 97 -0.907 14.188 0.398 838 HB3 LEU 97 3HB LEU 97 -1.064 14.317 -1.353 839 HG LEU 97 HG LEU 97 0.821 12.405 0.075 840 HD11 LEU 97 1HD1 LEU 97 -1.474 11.782 0.507 841 HD12 LEU 97 2HD1 LEU 97 -0.676 10.614 -0.541 842 HD13 LEU 97 3HD1 LEU 97 -1.825 11.773 -1.226 843 HD21 LEU 97 3HD2 LEU 97 0.124 12.587 -2.865 844 HD22 LEU 97 1HD2 LEU 97 1.108 11.331 -2.109 845 HD23 LEU 97 2HD2 LEU 97 1.671 13.000 -2.116 846 H LYS 98 H LYS 98 0.544 16.499 1.622 847 HA LYS 98 HA LYS 98 -1.000 18.717 0.597 848 HB2 LYS 98 2HB LYS 98 0.541 18.460 3.225 849 HB3 LYS 98 3HB LYS 98 -0.590 19.753 2.844 850 HG2 LYS 98 2HG LYS 98 -1.271 16.818 3.150 851 HG3 LYS 98 3HG LYS 98 -1.589 18.089 4.333 852 HD2 LYS 98 2HD LYS 98 -3.120 19.194 2.716 853 HD3 LYS 98 3HD LYS 98 -2.804 17.906 1.547 854 HE2 LYS 98 2HE LYS 98 -3.747 16.257 3.165 855 HE3 LYS 98 3HE LYS 98 -4.136 17.588 4.261 856 HZ1 LYS 98 3HZ LYS 98 -6.022 16.881 2.875 857 HZ2 LYS 98 1HZ LYS 98 -5.170 17.314 1.491 858 HZ3 LYS 98 2HZ LYS 98 -5.615 18.498 2.612 859 H LYS 99 H LYS 99 2.385 18.082 1.329 860 HA LYS 99 HA LYS 99 3.426 20.629 0.463 861 HB2 LYS 99 2HB LYS 99 4.843 17.945 0.809 862 HB3 LYS 99 3HB LYS 99 5.653 19.490 0.540 863 HG2 LYS 99 2HG LYS 99 4.676 20.336 2.684 864 HG3 LYS 99 3HG LYS 99 3.950 18.755 2.939 865 HD2 LYS 99 2HD LYS 99 5.875 18.694 4.284 866 HD3 LYS 99 3HD LYS 99 6.366 17.819 2.835 867 HE2 LYS 99 2HE LYS 99 6.964 20.748 3.340 868 HE3 LYS 99 3HE LYS 99 8.069 19.432 3.725 869 HZ1 LYS 99 3HZ LYS 99 8.092 18.844 1.365 870 HZ2 LYS 99 1HZ LYS 99 8.642 20.417 1.632 871 HZ3 LYS 99 2HZ LYS 99 7.091 20.159 1.018 872 H LYS 100 H LYS 100 2.345 17.778 -1.130 873 HA LYS 100 HA LYS 100 1.946 17.253 -3.279 874 HB2 LYS 100 2HB LYS 100 2.593 20.197 -3.719 875 HB3 LYS 100 3HB LYS 100 1.958 19.148 -4.984 876 HG2 LYS 100 2HG LYS 100 -0.113 18.812 -3.762 877 HG3 LYS 100 3HG LYS 100 0.513 19.672 -2.357 878 HD2 LYS 100 2HD LYS 100 0.135 20.988 -5.076 879 HD3 LYS 100 3HD LYS 100 -1.119 20.963 -3.838 880 HE2 LYS 100 2HE LYS 100 1.631 22.199 -3.505 881 HE3 LYS 100 3HE LYS 100 0.147 23.082 -3.855 882 HZ1 LYS 100 3HZ LYS 100 0.708 21.502 -1.406 883 HZ2 LYS 100 1HZ LYS 100 -0.768 22.248 -1.753 884 HZ3 LYS 100 2HZ LYS 100 0.618 23.183 -1.519 885 H GLY 101 H GLY 101 4.630 16.972 -2.135 886 HA2 GLY 101 2HA GLY 101 6.117 16.235 -4.510 887 HA3 GLY 101 3HA GLY 101 6.831 17.562 -3.593 888 H SER 102 H SER 102 8.092 17.060 -1.854 889 HA SER 102 HA SER 102 7.698 14.578 -0.379 890 HB2 SER 102 2HB SER 102 10.330 15.147 -1.809 891 HB3 SER 102 3HB SER 102 10.104 13.879 -0.599 892 HG SER 102 HG SER 102 8.186 13.587 -2.382 893 H LEU 103 H LEU 103 9.262 14.409 1.487 894 HA LEU 103 HA LEU 103 9.526 17.000 2.829 895 HB2 LEU 103 2HB LEU 103 9.549 14.126 3.793 896 HB3 LEU 103 3HB LEU 103 10.168 15.406 4.819 897 HG LEU 103 HG LEU 103 7.934 16.524 4.769 898 HD11 LEU 103 1HD1 LEU 103 5.952 15.345 3.939 899 HD12 LEU 103 2HD1 LEU 103 6.983 14.083 3.256 900 HD13 LEU 103 3HD1 LEU 103 7.080 15.733 2.640 901 HD21 LEU 103 3HD2 LEU 103 6.775 14.953 6.259 902 HD22 LEU 103 1HD2 LEU 103 8.497 15.039 6.628 903 HD23 LEU 103 2HD2 LEU 103 7.853 13.652 5.745 904 H GLU 104 H GLU 104 11.629 14.064 2.378 905 HA GLU 104 HA GLU 104 13.987 15.764 2.177 906 HB2 GLU 104 2HB GLU 104 15.035 14.316 4.184 907 HB3 GLU 104 3HB GLU 104 14.189 15.828 4.451 908 HG2 GLU 104 2HG GLU 104 13.547 14.173 6.113 909 HG3 GLU 104 3HG GLU 104 12.170 14.636 5.122 910 H HIS 105 H HIS 105 12.660 12.476 2.065 911 HA HIS 105 HA HIS 105 14.840 11.554 0.356 912 HB2 HIS 105 2HB HIS 105 15.521 11.410 2.914 913 HB3 HIS 105 3HB HIS 105 14.429 10.037 2.968 914 HD1 HIS 105 HD1 HIS 105 17.818 11.064 1.949 915 HD2 HIS 105 HD2 HIS 105 15.346 7.774 1.419 916 HE1 HIS 105 HE1 HIS 105 19.321 9.210 1.195 917 HE2 HIS 105 HE2 HIS 105 17.839 7.188 1.080 918 H HIS 106 H HIS 106 14.160 9.872 -0.970 919 HA HIS 106 HA HIS 106 11.385 8.909 -0.748 920 HB2 HIS 106 2HB HIS 106 13.450 8.642 -2.980 921 HB3 HIS 106 3HB HIS 106 11.845 7.928 -3.056 922 HD1 HIS 106 HD1 HIS 106 12.633 9.848 -5.211 923 HD2 HIS 106 HD2 HIS 106 10.767 11.078 -1.712 924 HE1 HIS 106 HE1 HIS 106 11.502 12.012 -5.778 925 HE2 HIS 106 HE2 HIS 106 10.228 12.611 -3.711 926 H HIS 107 H HIS 107 12.720 7.869 1.285 927 HA HIS 107 HA HIS 107 12.438 5.058 1.064 928 HB2 HIS 107 2HB HIS 107 14.708 5.327 -0.057 929 HB3 HIS 107 3HB HIS 107 15.332 6.003 1.439 930 HD1 HIS 107 HD1 HIS 107 16.103 4.359 3.207 931 HD2 HIS 107 HD2 HIS 107 14.069 2.538 0.080 932 HE1 HIS 107 HE1 HIS 107 16.352 1.885 3.578 933 HE2 HIS 107 HE2 HIS 107 15.109 0.807 1.682 934 H HIS 108 H HIS 108 13.201 4.037 3.327 935 HA HIS 108 HA HIS 108 12.953 6.031 5.503 936 HB2 HIS 108 2HB HIS 108 11.195 3.549 5.170 937 HB3 HIS 108 3HB HIS 108 11.220 4.575 6.605 938 HD1 HIS 108 HD1 HIS 108 9.775 4.316 3.214 939 HD2 HIS 108 HD2 HIS 108 10.139 7.201 6.183 940 HE1 HIS 108 HE1 HIS 108 8.230 6.176 2.546 941 HE2 HIS 108 HE2 HIS 108 8.538 7.941 4.305 942 H HIS 109 H HIS 109 13.900 5.485 7.430 943 HA HIS 109 HA HIS 109 14.692 2.732 8.047 944 HB2 HIS 109 2HB HIS 109 16.667 5.069 8.103 945 HB3 HIS 109 3HB HIS 109 16.931 3.592 9.015 946 HD1 HIS 109 HD1 HIS 109 17.646 1.487 7.685 947 HD2 HIS 109 HD2 HIS 109 17.208 4.889 5.350 948 HE1 HIS 109 HE1 HIS 109 18.732 0.943 5.492 949 HE2 HIS 109 HE2 HIS 109 18.660 3.096 4.196 950 H HIS 110 H HIS 110 14.648 2.331 10.279 951 HA HIS 110 HA HIS 110 14.608 4.397 12.268 952 HB2 HIS 110 2HB HIS 110 12.378 3.992 13.238 953 HB3 HIS 110 3HB HIS 110 12.186 4.487 11.558 954 HD1 HIS 110 HD1 HIS 110 11.671 1.605 13.873 955 HD2 HIS 110 HD2 HIS 110 11.174 2.472 9.849 956 HE1 HIS 110 HE1 HIS 110 10.350 -0.302 12.934 957 HE2 HIS 110 HE2 HIS 110 9.861 0.371 10.574 Start of MODEL 2 1 H1 MET 1 1H MET 1 3.744 14.534 -17.544 2 H2 MET 1 2H MET 1 2.913 13.969 -18.904 3 H3 MET 1 3H MET 1 4.118 13.022 -18.191 4 HA MET 1 HA MET 1 1.598 13.813 -16.872 5 HB2 MET 1 2HB MET 1 1.259 12.228 -18.797 6 HB3 MET 1 3HB MET 1 2.385 11.103 -18.052 7 HG2 MET 1 2HG MET 1 0.093 10.388 -17.658 8 HG3 MET 1 3HG MET 1 0.832 10.867 -16.125 9 HE1 MET 1 3HE MET 1 -2.947 11.985 -15.730 10 HE2 MET 1 1HE MET 1 -1.686 10.913 -15.130 11 HE3 MET 1 2HE MET 1 -2.433 10.604 -16.697 12 H GLY 2 H GLY 2 2.501 14.285 -14.906 13 HA2 GLY 2 2HA GLY 2 4.447 12.422 -13.653 14 HA3 GLY 2 3HA GLY 2 4.258 14.132 -13.284 15 H SER 3 H SER 3 2.180 11.255 -13.418 16 HA SER 3 HA SER 3 0.473 12.027 -11.254 17 HB2 SER 3 2HB SER 3 0.864 9.315 -12.598 18 HB3 SER 3 3HB SER 3 -0.482 9.752 -11.538 19 HG SER 3 HG SER 3 -0.795 11.532 -13.137 20 H LYS 4 H LYS 4 0.139 9.918 -9.599 21 HA LYS 4 HA LYS 4 2.604 8.812 -8.595 22 HB2 LYS 4 2HB LYS 4 2.768 11.025 -7.596 23 HB3 LYS 4 3HB LYS 4 1.118 10.947 -7.005 24 HG2 LYS 4 2HG LYS 4 1.723 9.326 -5.318 25 HG3 LYS 4 3HG LYS 4 3.328 9.114 -6.020 26 HD2 LYS 4 2HD LYS 4 3.497 10.488 -4.013 27 HD3 LYS 4 3HD LYS 4 3.893 11.462 -5.425 28 HE2 LYS 4 2HE LYS 4 1.187 11.491 -4.037 29 HE3 LYS 4 3HE LYS 4 2.481 12.635 -3.704 30 HZ1 LYS 4 3HZ LYS 4 1.023 13.686 -5.189 31 HZ2 LYS 4 1HZ LYS 4 0.925 12.342 -6.210 32 HZ3 LYS 4 2HZ LYS 4 2.353 13.238 -6.131 33 H ILE 5 H ILE 5 2.215 6.942 -7.541 34 HA ILE 5 HA ILE 5 -0.430 6.470 -6.290 35 HB ILE 5 HB ILE 5 -0.138 4.042 -6.613 36 HG12 ILE 5 2HG1 ILE 5 2.360 4.679 -8.265 37 HG13 ILE 5 3HG1 ILE 5 2.383 4.020 -6.636 38 HG21 ILE 5 1HG2 ILE 5 0.092 5.535 -9.248 39 HG22 ILE 5 2HG2 ILE 5 -1.392 5.266 -8.328 40 HG23 ILE 5 3HG2 ILE 5 -0.538 3.896 -9.043 41 HD11 ILE 5 3HD1 ILE 5 2.779 2.293 -8.261 42 HD12 ILE 5 1HD1 ILE 5 1.257 2.653 -9.075 43 HD13 ILE 5 2HD1 ILE 5 1.251 2.004 -7.433 44 H ILE 6 H ILE 6 -0.338 5.412 -4.269 45 HA ILE 6 HA ILE 6 2.315 5.405 -2.935 46 HB ILE 6 HB ILE 6 -0.401 5.933 -1.654 47 HG12 ILE 6 2HG1 ILE 6 0.375 7.888 -2.967 48 HG13 ILE 6 3HG1 ILE 6 0.408 8.235 -1.246 49 HG21 ILE 6 1HG2 ILE 6 2.372 5.895 -0.415 50 HG22 ILE 6 2HG2 ILE 6 1.080 4.730 -0.126 51 HG23 ILE 6 3HG2 ILE 6 0.895 6.399 0.405 52 HD11 ILE 6 3HD1 ILE 6 2.844 7.931 -1.243 53 HD12 ILE 6 1HD1 ILE 6 2.318 9.176 -2.376 54 HD13 ILE 6 2HD1 ILE 6 2.792 7.588 -2.977 55 H VAL 7 H VAL 7 2.952 3.495 -2.309 56 HA VAL 7 HA VAL 7 1.070 1.218 -2.247 57 HB VAL 7 HB VAL 7 4.120 1.145 -2.446 58 HG11 VAL 7 1HG1 VAL 7 3.216 -0.839 -1.320 59 HG12 VAL 7 2HG1 VAL 7 3.788 -1.272 -2.931 60 HG13 VAL 7 3HG1 VAL 7 2.059 -1.087 -2.631 61 HG21 VAL 7 3HG2 VAL 7 3.786 0.428 -4.793 62 HG22 VAL 7 1HG2 VAL 7 3.108 2.037 -4.525 63 HG23 VAL 7 2HG2 VAL 7 2.041 0.633 -4.619 64 H ILE 8 H ILE 8 0.421 0.680 -0.298 65 HA ILE 8 HA ILE 8 2.011 1.423 2.074 66 HB ILE 8 HB ILE 8 -1.013 1.150 1.812 67 HG12 ILE 8 2HG1 ILE 8 0.750 3.601 2.267 68 HG13 ILE 8 3HG1 ILE 8 -0.166 3.235 0.812 69 HG21 ILE 8 1HG2 ILE 8 0.630 1.839 4.277 70 HG22 ILE 8 2HG2 ILE 8 -0.284 0.352 4.019 71 HG23 ILE 8 3HG2 ILE 8 -1.134 1.889 4.175 72 HD11 ILE 8 3HD1 ILE 8 -1.240 4.959 2.111 73 HD12 ILE 8 1HD1 ILE 8 -1.336 3.897 3.515 74 HD13 ILE 8 2HD1 ILE 8 -2.249 3.518 2.052 75 H ILE 9 H ILE 9 2.647 -0.150 3.311 76 HA ILE 9 HA ILE 9 2.002 -2.928 2.566 77 HB ILE 9 HB ILE 9 4.493 -1.893 4.017 78 HG12 ILE 9 2HG1 ILE 9 5.707 -2.848 1.946 79 HG13 ILE 9 3HG1 ILE 9 4.137 -2.973 1.172 80 HG21 ILE 9 1HG2 ILE 9 5.303 -4.244 3.896 81 HG22 ILE 9 2HG2 ILE 9 3.760 -4.737 3.198 82 HG23 ILE 9 3HG2 ILE 9 3.822 -4.118 4.849 83 HD11 ILE 9 3HD1 ILE 9 3.918 -0.541 1.249 84 HD12 ILE 9 1HD1 ILE 9 5.390 -1.041 0.417 85 HD13 ILE 9 2HD1 ILE 9 5.478 -0.426 2.068 86 H SER 10 H SER 10 0.295 -3.449 3.832 87 HA SER 10 HA SER 10 0.005 -2.275 6.504 88 HB2 SER 10 2HB SER 10 -1.959 -3.888 4.828 89 HB3 SER 10 3HB SER 10 -2.332 -3.074 6.346 90 HG SER 10 HG SER 10 -1.207 -1.577 4.265 91 H SER 11 H SER 11 1.147 -3.380 7.963 92 HA SER 11 HA SER 11 0.917 -6.331 8.143 93 HB2 SER 11 2HB SER 11 3.247 -5.466 7.892 94 HB3 SER 11 3HB SER 11 3.034 -4.498 9.350 95 HG SER 11 HG SER 11 2.697 -6.486 10.487 96 H ASP 12 H ASP 12 -0.941 -6.500 9.312 97 HA ASP 12 HA ASP 12 -2.111 -6.965 11.170 98 HB2 ASP 12 2HB ASP 12 0.104 -5.678 12.819 99 HB3 ASP 12 3HB ASP 12 -1.208 -6.669 13.447 100 H ASP 13 H ASP 13 -0.635 -3.748 11.794 101 HA ASP 13 HA ASP 13 -2.805 -2.553 13.071 102 HB2 ASP 13 2HB ASP 13 -0.644 -1.200 11.409 103 HB3 ASP 13 3HB ASP 13 -1.689 -0.384 12.570 104 H THR 14 H THR 14 -4.749 -2.133 12.317 105 HA THR 14 HA THR 14 -5.494 -2.053 9.569 106 HB THR 14 HB THR 14 -6.977 -2.908 11.354 107 HG1 THR 14 HG1 THR 14 -7.880 -2.120 9.372 108 HG21 THR 14 3HG2 THR 14 -6.464 -1.241 13.132 109 HG22 THR 14 1HG2 THR 14 -8.202 -1.403 12.849 110 HG23 THR 14 2HG2 THR 14 -7.329 -0.011 12.207 111 H THR 15 H THR 15 -4.301 0.328 11.743 112 HA THR 15 HA THR 15 -5.362 2.713 10.929 113 HB THR 15 HB THR 15 -2.381 2.444 11.469 114 HG1 THR 15 HG1 THR 15 -4.526 1.850 13.167 115 HG21 THR 15 3HG2 THR 15 -3.308 4.725 11.030 116 HG22 THR 15 1HG2 THR 15 -2.706 4.564 12.682 117 HG23 THR 15 2HG2 THR 15 -4.442 4.506 12.362 118 H LEU 16 H LEU 16 -2.940 0.749 9.271 119 HA LEU 16 HA LEU 16 -2.095 2.753 7.392 120 HB2 LEU 16 2HB LEU 16 -1.703 -0.264 7.428 121 HB3 LEU 16 3HB LEU 16 -1.086 0.759 6.146 122 HG LEU 16 HG LEU 16 0.187 2.059 8.001 123 HD11 LEU 16 1HD1 LEU 16 -0.981 1.209 9.938 124 HD12 LEU 16 2HD1 LEU 16 0.729 0.791 10.033 125 HD13 LEU 16 3HD1 LEU 16 -0.458 -0.437 9.578 126 HD21 LEU 16 3HD2 LEU 16 2.083 0.525 7.963 127 HD22 LEU 16 1HD2 LEU 16 1.317 0.613 6.376 128 HD23 LEU 16 2HD2 LEU 16 1.037 -0.788 7.413 129 H GLU 17 H GLU 17 -4.664 0.418 7.505 130 HA GLU 17 HA GLU 17 -5.333 0.440 4.697 131 HB2 GLU 17 2HB GLU 17 -6.996 -0.545 7.053 132 HB3 GLU 17 3HB GLU 17 -7.220 -0.960 5.353 133 HG2 GLU 17 2HG GLU 17 -5.034 -2.134 5.360 134 HG3 GLU 17 3HG GLU 17 -4.825 -1.727 7.062 135 H GLU 18 H GLU 18 -6.564 2.019 7.660 136 HA GLU 18 HA GLU 18 -8.818 3.263 6.338 137 HB2 GLU 18 2HB GLU 18 -9.264 4.342 8.492 138 HB3 GLU 18 3HB GLU 18 -8.926 2.630 8.726 139 HG2 GLU 18 2HG GLU 18 -6.586 3.235 9.374 140 HG3 GLU 18 3HG GLU 18 -7.033 4.933 9.269 141 H LEU 19 H LEU 19 -5.553 4.290 7.300 142 HA LEU 19 HA LEU 19 -5.722 7.028 6.604 143 HB2 LEU 19 2HB LEU 19 -3.374 5.099 6.759 144 HB3 LEU 19 3HB LEU 19 -3.139 6.770 6.274 145 HG LEU 19 HG LEU 19 -4.368 5.997 8.956 146 HD11 LEU 19 1HD1 LEU 19 -2.195 6.418 10.000 147 HD12 LEU 19 2HD1 LEU 19 -1.458 6.657 8.413 148 HD13 LEU 19 3HD1 LEU 19 -2.099 5.074 8.862 149 HD21 LEU 19 3HD2 LEU 19 -4.896 8.274 8.283 150 HD22 LEU 19 1HD2 LEU 19 -3.190 8.616 7.970 151 HD23 LEU 19 2HD2 LEU 19 -3.740 8.297 9.617 152 H ALA 20 H ALA 20 -5.003 4.109 4.731 153 HA ALA 20 HA ALA 20 -4.007 5.089 2.358 154 HB1 ALA 20 3HB ALA 20 -4.116 2.699 2.951 155 HB2 ALA 20 1HB ALA 20 -4.764 2.994 1.336 156 HB3 ALA 20 2HB ALA 20 -5.861 2.710 2.691 157 H ARG 21 H ARG 21 -7.414 4.847 3.317 158 HA ARG 21 HA ARG 21 -8.655 5.594 0.905 159 HB2 ARG 21 2HB ARG 21 -9.950 4.622 2.734 160 HB3 ARG 21 3HB ARG 21 -9.529 5.956 3.803 161 HG2 ARG 21 2HG ARG 21 -10.835 7.501 2.351 162 HG3 ARG 21 3HG ARG 21 -11.290 6.138 1.331 163 HD2 ARG 21 2HD ARG 21 -12.609 5.164 3.077 164 HD3 ARG 21 3HD ARG 21 -11.943 6.264 4.292 165 HE ARG 21 HE ARG 21 -13.338 7.578 2.114 166 HH11 ARG 21 1HH1 ARG 21 -13.725 6.179 5.322 167 HH12 ARG 21 2HH1 ARG 21 -15.166 7.078 5.668 168 HH21 ARG 21 1HH2 ARG 21 -15.222 8.767 2.594 169 HH22 ARG 21 2HH2 ARG 21 -16.017 8.544 4.120 170 H LYS 22 H LYS 22 -7.329 7.519 3.565 171 HA LYS 22 HA LYS 22 -8.332 10.041 2.644 172 HB2 LYS 22 2HB LYS 22 -6.207 9.426 4.736 173 HB3 LYS 22 3HB LYS 22 -6.939 11.008 4.468 174 HG2 LYS 22 2HG LYS 22 -8.331 8.498 5.463 175 HG3 LYS 22 3HG LYS 22 -7.973 9.952 6.395 176 HD2 LYS 22 2HD LYS 22 -9.930 9.749 4.063 177 HD3 LYS 22 3HD LYS 22 -10.354 9.867 5.771 178 HE2 LYS 22 2HE LYS 22 -9.437 12.123 5.889 179 HE3 LYS 22 3HE LYS 22 -8.845 12.009 4.233 180 HZ1 LYS 22 3HZ LYS 22 -10.852 13.251 4.233 181 HZ2 LYS 22 1HZ LYS 22 -11.675 12.059 5.109 182 HZ3 LYS 22 2HZ LYS 22 -11.183 11.752 3.523 183 H ILE 23 H ILE 23 -5.249 8.311 2.255 184 HA ILE 23 HA ILE 23 -3.832 10.352 0.937 185 HB ILE 23 HB ILE 23 -3.588 7.332 0.868 186 HG12 ILE 23 2HG1 ILE 23 -1.237 7.929 1.719 187 HG13 ILE 23 3HG1 ILE 23 -1.785 9.592 1.836 188 HG21 ILE 23 1HG2 ILE 23 -1.638 7.417 -0.607 189 HG22 ILE 23 2HG2 ILE 23 -1.836 9.153 -0.816 190 HG23 ILE 23 3HG2 ILE 23 -3.051 8.049 -1.450 191 HD11 ILE 23 3HD1 ILE 23 -1.807 8.492 3.975 192 HD12 ILE 23 1HD1 ILE 23 -2.876 7.234 3.355 193 HD13 ILE 23 2HD1 ILE 23 -3.453 8.898 3.486 194 H LYS 24 H LYS 24 -5.862 7.705 -0.507 195 HA LYS 24 HA LYS 24 -5.559 8.706 -3.158 196 HB2 LYS 24 2HB LYS 24 -7.326 7.156 -3.859 197 HB3 LYS 24 3HB LYS 24 -6.086 6.378 -2.905 198 HG2 LYS 24 2HG LYS 24 -7.521 6.043 -1.064 199 HG3 LYS 24 3HG LYS 24 -8.692 7.233 -1.646 200 HD2 LYS 24 2HD LYS 24 -9.435 4.843 -1.958 201 HD3 LYS 24 3HD LYS 24 -9.397 5.782 -3.450 202 HE2 LYS 24 2HE LYS 24 -7.131 4.743 -3.939 203 HE3 LYS 24 3HE LYS 24 -7.377 3.704 -2.536 204 HZ1 LYS 24 3HZ LYS 24 -9.361 2.817 -3.602 205 HZ2 LYS 24 1HZ LYS 24 -8.001 2.603 -4.589 206 HZ3 LYS 24 2HZ LYS 24 -9.118 3.821 -4.936 207 H ASP 25 H ASP 25 -7.636 9.611 -0.607 208 HA ASP 25 HA ASP 25 -9.763 10.863 -1.964 209 HB2 ASP 25 2HB ASP 25 -9.628 10.268 0.503 210 HB3 ASP 25 3HB ASP 25 -8.552 11.641 0.729 211 H GLU 26 H GLU 26 -6.421 11.827 -1.598 212 HA GLU 26 HA GLU 26 -6.773 14.638 -2.148 213 HB2 GLU 26 2HB GLU 26 -4.277 12.894 -2.342 214 HB3 GLU 26 3HB GLU 26 -4.291 14.651 -2.470 215 HG2 GLU 26 2HG GLU 26 -5.024 13.000 -0.033 216 HG3 GLU 26 3HG GLU 26 -3.569 13.972 -0.248 217 H GLY 27 H GLY 27 -6.715 11.805 -4.153 218 HA2 GLY 27 2HA GLY 27 -7.925 12.255 -6.274 219 HA3 GLY 27 3HA GLY 27 -6.780 13.552 -6.577 220 H LEU 28 H LEU 28 -5.605 10.547 -5.238 221 HA LEU 28 HA LEU 28 -4.527 9.686 -7.871 222 HB2 LEU 28 2HB LEU 28 -2.399 9.065 -6.806 223 HB3 LEU 28 3HB LEU 28 -2.681 10.791 -6.695 224 HG LEU 28 HG LEU 28 -3.239 8.916 -4.352 225 HD11 LEU 28 1HD1 LEU 28 -0.655 10.414 -4.886 226 HD12 LEU 28 2HD1 LEU 28 -0.868 8.661 -4.940 227 HD13 LEU 28 3HD1 LEU 28 -1.063 9.525 -3.414 228 HD21 LEU 28 3HD2 LEU 28 -4.300 11.135 -4.236 229 HD22 LEU 28 1HD2 LEU 28 -2.730 11.906 -4.457 230 HD23 LEU 28 2HD2 LEU 28 -3.058 10.955 -3.007 231 H GLU 29 H GLU 29 -3.629 7.311 -7.665 232 HA GLU 29 HA GLU 29 -5.628 5.675 -6.280 233 HB2 GLU 29 2HB GLU 29 -5.053 5.240 -8.674 234 HB3 GLU 29 3HB GLU 29 -3.400 4.873 -8.206 235 HG2 GLU 29 2HG GLU 29 -4.676 2.822 -8.630 236 HG3 GLU 29 3HG GLU 29 -4.164 2.910 -6.944 237 H VAL 30 H VAL 30 -5.100 4.038 -4.802 238 HA VAL 30 HA VAL 30 -2.370 4.013 -3.648 239 HB VAL 30 HB VAL 30 -5.030 3.586 -2.196 240 HG11 VAL 30 1HG1 VAL 30 -2.203 3.287 -1.089 241 HG12 VAL 30 2HG1 VAL 30 -3.368 1.979 -1.313 242 HG13 VAL 30 3HG1 VAL 30 -3.687 3.248 -0.129 243 HG21 VAL 30 3HG2 VAL 30 -2.859 5.668 -1.798 244 HG22 VAL 30 1HG2 VAL 30 -4.367 5.551 -0.887 245 HG23 VAL 30 2HG2 VAL 30 -4.400 5.946 -2.607 246 H TYR 31 H TYR 31 -1.371 2.183 -3.739 247 HA TYR 31 HA TYR 31 -2.741 -0.384 -4.267 248 HB2 TYR 31 2HB TYR 31 0.172 0.493 -4.615 249 HB3 TYR 31 3HB TYR 31 -0.349 -1.183 -4.745 250 HD1 TYR 31 HD2 TYR 31 -1.790 2.019 -6.177 251 HD2 TYR 31 HD1 TYR 31 -0.135 -1.830 -6.987 252 HE1 TYR 31 HE2 TYR 31 -2.184 2.349 -8.582 253 HE2 TYR 31 HE1 TYR 31 -0.515 -1.496 -9.387 254 HH TYR 31 HH TYR 31 -1.329 1.528 -10.730 255 H ILE 32 H ILE 32 -2.436 -2.039 -2.721 256 HA ILE 32 HA ILE 32 -0.928 -1.340 -0.249 257 HB ILE 32 HB ILE 32 -3.382 -3.142 -0.446 258 HG12 ILE 32 2HG1 ILE 32 -3.982 -0.717 -0.760 259 HG13 ILE 32 3HG1 ILE 32 -4.710 -1.440 0.668 260 HG21 ILE 32 1HG2 ILE 32 -3.374 -3.150 2.031 261 HG22 ILE 32 2HG2 ILE 32 -1.880 -2.211 2.024 262 HG23 ILE 32 3HG2 ILE 32 -1.895 -3.847 1.363 263 HD11 ILE 32 3HD1 ILE 32 -3.063 -0.334 2.077 264 HD12 ILE 32 1HD1 ILE 32 -3.949 0.815 1.076 265 HD13 ILE 32 2HD1 ILE 32 -2.300 0.365 0.645 266 H LEU 33 H LEU 33 0.705 -2.782 0.244 267 HA LEU 33 HA LEU 33 0.566 -5.522 -0.867 268 HB2 LEU 33 2HB LEU 33 2.932 -4.051 0.373 269 HB3 LEU 33 3HB LEU 33 2.961 -5.708 -0.219 270 HG LEU 33 HG LEU 33 2.635 -3.178 -1.856 271 HD11 LEU 33 1HD1 LEU 33 4.933 -3.689 -1.264 272 HD12 LEU 33 2HD1 LEU 33 4.663 -3.892 -2.991 273 HD13 LEU 33 3HD1 LEU 33 4.774 -5.311 -1.947 274 HD21 LEU 33 3HD2 LEU 33 2.343 -6.030 -2.829 275 HD22 LEU 33 1HD2 LEU 33 2.464 -4.601 -3.858 276 HD23 LEU 33 2HD2 LEU 33 1.088 -4.790 -2.781 277 H LEU 34 H LEU 34 -0.562 -6.739 0.450 278 HA LEU 34 HA LEU 34 -0.728 -6.129 3.316 279 HB2 LEU 34 2HB LEU 34 -2.601 -7.007 1.466 280 HB3 LEU 34 3HB LEU 34 -2.140 -8.527 2.186 281 HG LEU 34 HG LEU 34 -4.125 -7.765 3.289 282 HD11 LEU 34 1HD1 LEU 34 -2.541 -8.798 4.829 283 HD12 LEU 34 2HD1 LEU 34 -3.488 -7.562 5.648 284 HD13 LEU 34 3HD1 LEU 34 -1.817 -7.227 5.183 285 HD21 LEU 34 3HD2 LEU 34 -4.352 -5.589 4.397 286 HD22 LEU 34 1HD2 LEU 34 -4.066 -5.423 2.665 287 HD23 LEU 34 2HD2 LEU 34 -2.755 -5.118 3.806 288 H LYS 35 H LYS 35 0.566 -7.213 4.773 289 HA LYS 35 HA LYS 35 1.493 -9.940 4.091 290 HB2 LYS 35 2HB LYS 35 3.564 -9.536 5.464 291 HB3 LYS 35 3HB LYS 35 3.500 -8.614 3.970 292 HG2 LYS 35 2HG LYS 35 3.116 -6.564 5.117 293 HG3 LYS 35 3HG LYS 35 2.713 -7.388 6.623 294 HD2 LYS 35 2HD LYS 35 4.974 -6.346 6.696 295 HD3 LYS 35 3HD LYS 35 5.036 -8.093 6.925 296 HE2 LYS 35 2HE LYS 35 5.752 -8.378 4.580 297 HE3 LYS 35 3HE LYS 35 5.650 -6.635 4.329 298 HZ1 LYS 35 3HZ LYS 35 7.921 -7.298 4.733 299 HZ2 LYS 35 1HZ LYS 35 7.498 -8.033 6.193 300 HZ3 LYS 35 2HZ LYS 35 7.378 -6.354 6.026 301 H ASP 36 H ASP 36 0.617 -11.363 5.352 302 HA ASP 36 HA ASP 36 0.260 -10.903 8.245 303 HB2 ASP 36 2HB ASP 36 -1.959 -10.623 7.066 304 HB3 ASP 36 3HB ASP 36 -1.803 -12.257 6.446 305 H LYS 37 H LYS 37 0.422 -12.904 9.479 306 HA LYS 37 HA LYS 37 2.480 -14.599 8.381 307 HB2 LYS 37 2HB LYS 37 1.131 -14.921 11.092 308 HB3 LYS 37 3HB LYS 37 2.701 -15.541 10.600 309 HG2 LYS 37 2HG LYS 37 1.931 -12.672 11.182 310 HG3 LYS 37 3HG LYS 37 3.082 -13.682 12.054 311 HD2 LYS 37 2HD LYS 37 3.434 -12.638 9.214 312 HD3 LYS 37 3HD LYS 37 4.185 -11.954 10.653 313 HE2 LYS 37 2HE LYS 37 5.435 -14.069 10.998 314 HE3 LYS 37 3HE LYS 37 4.684 -14.742 9.547 315 HZ1 LYS 37 3HZ LYS 37 5.718 -13.008 8.234 316 HZ2 LYS 37 1HZ LYS 37 6.896 -13.865 9.093 317 HZ3 LYS 37 2HZ LYS 37 6.418 -12.332 9.615 318 H ASP 38 H ASP 38 -0.891 -14.820 8.381 319 HA ASP 38 HA ASP 38 -0.812 -17.701 7.664 320 HB2 ASP 38 2HB ASP 38 -2.173 -17.157 9.727 321 HB3 ASP 38 3HB ASP 38 -3.166 -16.074 8.759 322 H GLU 39 H GLU 39 -0.756 -17.728 5.430 323 HA GLU 39 HA GLU 39 -1.389 -15.536 3.828 324 HB2 GLU 39 2HB GLU 39 -0.916 -16.847 1.899 325 HB3 GLU 39 3HB GLU 39 0.194 -17.355 3.163 326 HG2 GLU 39 2HG GLU 39 -0.938 -19.430 3.480 327 HG3 GLU 39 3HG GLU 39 -2.346 -18.893 2.558 328 H LYS 40 H LYS 40 -3.640 -17.763 5.137 329 HA LYS 40 HA LYS 40 -5.616 -17.487 3.004 330 HB2 LYS 40 2HB LYS 40 -5.994 -18.709 5.776 331 HB3 LYS 40 3HB LYS 40 -7.057 -18.897 4.382 332 HG2 LYS 40 2HG LYS 40 -4.234 -19.976 4.661 333 HG3 LYS 40 3HG LYS 40 -5.730 -20.916 4.698 334 HD2 LYS 40 2HD LYS 40 -6.169 -20.340 2.333 335 HD3 LYS 40 3HD LYS 40 -4.719 -19.332 2.288 336 HE2 LYS 40 2HE LYS 40 -4.283 -21.487 1.219 337 HE3 LYS 40 3HE LYS 40 -3.327 -21.350 2.694 338 HZ1 LYS 40 3HZ LYS 40 -4.934 -22.749 3.826 339 HZ2 LYS 40 1HZ LYS 40 -4.337 -23.532 2.455 340 HZ3 LYS 40 2HZ LYS 40 -5.884 -22.852 2.431 341 H ARG 41 H ARG 41 -5.282 -16.435 6.415 342 HA ARG 41 HA ARG 41 -7.494 -14.656 6.528 343 HB2 ARG 41 2HB ARG 41 -4.875 -14.720 8.092 344 HB3 ARG 41 3HB ARG 41 -6.210 -13.638 8.487 345 HG2 ARG 41 2HG ARG 41 -7.656 -15.522 9.019 346 HG3 ARG 41 3HG ARG 41 -6.433 -16.668 8.460 347 HD2 ARG 41 2HD ARG 41 -6.549 -16.472 10.951 348 HD3 ARG 41 3HD ARG 41 -4.963 -16.095 10.288 349 HE ARG 41 HE ARG 41 -5.352 -13.782 10.713 350 HH11 ARG 41 1HH1 ARG 41 -7.809 -15.854 12.172 351 HH12 ARG 41 2HH1 ARG 41 -8.305 -14.646 13.315 352 HH21 ARG 41 1HH2 ARG 41 -6.000 -12.235 12.214 353 HH22 ARG 41 2HH2 ARG 41 -7.274 -12.588 13.338 354 H LEU 42 H LEU 42 -4.133 -14.281 5.601 355 HA LEU 42 HA LEU 42 -3.902 -11.615 4.922 356 HB2 LEU 42 2HB LEU 42 -2.028 -13.185 4.949 357 HB3 LEU 42 3HB LEU 42 -2.740 -14.121 3.656 358 HG LEU 42 HG LEU 42 -2.314 -12.292 2.050 359 HD11 LEU 42 1HD1 LEU 42 -1.091 -10.835 4.399 360 HD12 LEU 42 2HD1 LEU 42 -2.567 -10.394 3.532 361 HD13 LEU 42 3HD1 LEU 42 -1.014 -10.334 2.708 362 HD21 LEU 42 3HD2 LEU 42 0.142 -12.406 1.997 363 HD22 LEU 42 1HD2 LEU 42 -0.560 -13.985 2.349 364 HD23 LEU 42 2HD2 LEU 42 0.166 -13.031 3.649 365 H GLU 43 H GLU 43 -4.886 -14.362 2.855 366 HA GLU 43 HA GLU 43 -5.188 -12.914 0.476 367 HB2 GLU 43 2HB GLU 43 -5.104 -15.554 1.057 368 HB3 GLU 43 3HB GLU 43 -6.845 -15.395 0.918 369 HG2 GLU 43 2HG GLU 43 -5.996 -16.129 -1.190 370 HG3 GLU 43 3HG GLU 43 -6.522 -14.455 -1.381 371 H GLU 44 H GLU 44 -7.450 -13.629 3.083 372 HA GLU 44 HA GLU 44 -9.835 -12.713 1.823 373 HB2 GLU 44 2HB GLU 44 -9.064 -13.148 4.733 374 HB3 GLU 44 3HB GLU 44 -10.659 -12.573 4.261 375 HG2 GLU 44 2HG GLU 44 -9.430 -15.216 3.442 376 HG3 GLU 44 3HG GLU 44 -10.636 -14.990 4.708 377 H LYS 45 H LYS 45 -7.497 -11.198 4.065 378 HA LYS 45 HA LYS 45 -8.760 -8.746 4.532 379 HB2 LYS 45 2HB LYS 45 -6.509 -9.939 5.498 380 HB3 LYS 45 3HB LYS 45 -5.738 -8.827 4.377 381 HG2 LYS 45 2HG LYS 45 -5.803 -7.826 6.577 382 HG3 LYS 45 3HG LYS 45 -6.902 -6.933 5.512 383 HD2 LYS 45 2HD LYS 45 -8.833 -8.112 6.443 384 HD3 LYS 45 3HD LYS 45 -7.784 -9.123 7.444 385 HE2 LYS 45 2HE LYS 45 -8.808 -7.354 8.779 386 HE3 LYS 45 3HE LYS 45 -7.064 -7.113 8.691 387 HZ1 LYS 45 3HZ LYS 45 -8.230 -5.040 8.395 388 HZ2 LYS 45 1HZ LYS 45 -9.101 -5.667 7.088 389 HZ3 LYS 45 2HZ LYS 45 -7.430 -5.453 6.972 390 H ILE 46 H ILE 46 -6.530 -9.774 2.035 391 HA ILE 46 HA ILE 46 -6.107 -7.457 0.543 392 HB ILE 46 HB ILE 46 -6.267 -10.373 -0.346 393 HG12 ILE 46 2HG1 ILE 46 -3.805 -8.658 0.207 394 HG13 ILE 46 3HG1 ILE 46 -4.513 -9.770 1.371 395 HG21 ILE 46 1HG2 ILE 46 -4.989 -9.740 -2.376 396 HG22 ILE 46 2HG2 ILE 46 -5.145 -8.041 -1.936 397 HG23 ILE 46 3HG2 ILE 46 -6.582 -8.979 -2.336 398 HD11 ILE 46 3HD1 ILE 46 -4.043 -11.635 -0.134 399 HD12 ILE 46 1HD1 ILE 46 -2.591 -10.743 0.314 400 HD13 ILE 46 2HD1 ILE 46 -3.304 -10.514 -1.282 401 H GLN 47 H GLN 47 -8.628 -10.003 0.117 402 HA GLN 47 HA GLN 47 -9.843 -8.878 -2.180 403 HB2 GLN 47 2HB GLN 47 -11.258 -10.644 -0.121 404 HB3 GLN 47 3HB GLN 47 -11.737 -10.388 -1.795 405 HG2 GLN 47 2HG GLN 47 -9.421 -11.988 -0.725 406 HG3 GLN 47 3HG GLN 47 -10.781 -12.547 -1.689 407 HE21 GLN 47 1HE2 GLN 47 -7.637 -11.145 -1.731 408 HE22 GLN 47 2HE2 GLN 47 -7.421 -11.134 -3.445 409 H LYS 48 H LYS 48 -10.375 -8.339 1.280 410 HA LYS 48 HA LYS 48 -12.869 -6.972 1.028 411 HB2 LYS 48 2HB LYS 48 -10.889 -6.849 3.345 412 HB3 LYS 48 3HB LYS 48 -12.572 -6.316 3.393 413 HG2 LYS 48 2HG LYS 48 -11.536 -9.147 3.107 414 HG3 LYS 48 3HG LYS 48 -12.466 -8.475 4.444 415 HD2 LYS 48 2HD LYS 48 -14.472 -8.369 3.102 416 HD3 LYS 48 3HD LYS 48 -13.584 -8.711 1.618 417 HE2 LYS 48 2HE LYS 48 -14.783 -10.704 2.274 418 HE3 LYS 48 3HE LYS 48 -13.060 -10.994 2.517 419 HZ1 LYS 48 3HZ LYS 48 -15.032 -10.291 4.626 420 HZ2 LYS 48 1HZ LYS 48 -13.380 -10.536 4.883 421 HZ3 LYS 48 2HZ LYS 48 -14.355 -11.818 4.367 422 H LEU 49 H LEU 49 -9.489 -5.821 1.387 423 HA LEU 49 HA LEU 49 -10.119 -3.049 1.180 424 HB2 LEU 49 2HB LEU 49 -7.545 -4.556 0.667 425 HB3 LEU 49 3HB LEU 49 -7.657 -2.816 0.471 426 HG LEU 49 HG LEU 49 -8.000 -4.359 3.065 427 HD11 LEU 49 1HD1 LEU 49 -5.825 -2.447 2.165 428 HD12 LEU 49 2HD1 LEU 49 -5.680 -4.202 2.298 429 HD13 LEU 49 3HD1 LEU 49 -5.941 -3.232 3.744 430 HD21 LEU 49 3HD2 LEU 49 -8.171 -1.359 2.613 431 HD22 LEU 49 1HD2 LEU 49 -8.185 -2.179 4.178 432 HD23 LEU 49 2HD2 LEU 49 -9.513 -2.422 3.047 433 H LYS 50 H LYS 50 -9.485 -5.541 -1.317 434 HA LYS 50 HA LYS 50 -9.317 -3.708 -3.498 435 HB2 LYS 50 2HB LYS 50 -9.939 -6.692 -3.508 436 HB3 LYS 50 3HB LYS 50 -9.614 -5.726 -4.948 437 HG2 LYS 50 2HG LYS 50 -7.357 -5.132 -3.776 438 HG3 LYS 50 3HG LYS 50 -7.710 -6.501 -2.730 439 HD2 LYS 50 2HD LYS 50 -6.234 -7.245 -4.490 440 HD3 LYS 50 3HD LYS 50 -7.821 -7.968 -4.772 441 HE2 LYS 50 2HE LYS 50 -8.298 -6.360 -6.521 442 HE3 LYS 50 3HE LYS 50 -6.831 -5.450 -6.151 443 HZ1 LYS 50 3HZ LYS 50 -6.955 -8.200 -7.267 444 HZ2 LYS 50 1HZ LYS 50 -5.534 -7.395 -6.820 445 HZ3 LYS 50 2HZ LYS 50 -6.481 -6.795 -8.082 446 H SER 51 H SER 51 -11.972 -5.458 -1.977 447 HA SER 51 HA SER 51 -14.055 -4.583 -3.684 448 HB2 SER 51 2HB SER 51 -14.266 -6.486 -2.088 449 HB3 SER 51 3HB SER 51 -14.186 -5.359 -0.736 450 HG SER 51 HG SER 51 -16.140 -4.493 -1.367 451 H GLN 52 H GLN 52 -12.347 -3.065 -1.025 452 HA GLN 52 HA GLN 52 -14.043 -0.713 -0.869 453 HB2 GLN 52 2HB GLN 52 -11.269 -1.273 0.259 454 HB3 GLN 52 3HB GLN 52 -12.198 0.186 0.593 455 HG2 GLN 52 2HG GLN 52 -13.912 -1.115 1.733 456 HG3 GLN 52 3HG GLN 52 -13.112 -2.620 1.294 457 HE21 GLN 52 1HE2 GLN 52 -11.428 0.281 2.446 458 HE22 GLN 52 2HE2 GLN 52 -10.915 -0.421 3.935 459 H GLY 53 H GLY 53 -11.504 -1.765 -2.944 460 HA2 GLY 53 2HA GLY 53 -11.393 -0.713 -5.106 461 HA3 GLY 53 3HA GLY 53 -11.587 0.855 -4.344 462 H PHE 54 H PHE 54 -9.442 -0.860 -2.467 463 HA PHE 54 HA PHE 54 -7.094 0.484 -3.506 464 HB2 PHE 54 2HB PHE 54 -7.321 -1.614 -1.290 465 HB3 PHE 54 3HB PHE 54 -5.913 -0.605 -1.616 466 HD1 PHE 54 HD2 PHE 54 -6.313 1.991 -1.531 467 HD2 PHE 54 HD1 PHE 54 -8.884 -0.887 0.319 468 HE1 PHE 54 HE2 PHE 54 -7.200 3.723 -0.034 469 HE2 PHE 54 HE1 PHE 54 -9.760 0.857 1.811 470 HZ PHE 54 HZ PHE 54 -8.913 3.163 1.633 471 H GLU 55 H GLU 55 -5.549 -0.409 -4.863 472 HA GLU 55 HA GLU 55 -5.976 -3.091 -5.907 473 HB2 GLU 55 2HB GLU 55 -5.372 -1.321 -7.478 474 HB3 GLU 55 3HB GLU 55 -3.883 -0.987 -6.601 475 HG2 GLU 55 2HG GLU 55 -3.596 -2.316 -8.731 476 HG3 GLU 55 3HG GLU 55 -2.898 -3.058 -7.296 477 H VAL 56 H VAL 56 -5.565 -4.458 -4.210 478 HA VAL 56 HA VAL 56 -3.055 -4.278 -2.690 479 HB VAL 56 HB VAL 56 -5.330 -6.236 -2.181 480 HG11 VAL 56 1HG1 VAL 56 -3.219 -6.773 -1.040 481 HG12 VAL 56 2HG1 VAL 56 -4.438 -6.266 0.132 482 HG13 VAL 56 3HG1 VAL 56 -3.158 -5.149 -0.349 483 HG21 VAL 56 3HG2 VAL 56 -6.236 -4.646 -0.538 484 HG22 VAL 56 1HG2 VAL 56 -6.297 -3.985 -2.171 485 HG23 VAL 56 2HG2 VAL 56 -5.058 -3.438 -1.042 486 H ARG 57 H ARG 57 -1.585 -5.986 -2.556 487 HA ARG 57 HA ARG 57 -1.886 -8.292 -4.394 488 HB2 ARG 57 2HB ARG 57 -0.185 -6.188 -4.971 489 HB3 ARG 57 3HB ARG 57 0.904 -7.209 -4.054 490 HG2 ARG 57 2HG ARG 57 -0.661 -8.222 -6.448 491 HG3 ARG 57 3HG ARG 57 0.915 -7.453 -6.603 492 HD2 ARG 57 2HD ARG 57 0.408 -9.943 -4.938 493 HD3 ARG 57 3HD ARG 57 0.952 -9.964 -6.620 494 HE ARG 57 HE ARG 57 2.635 -8.372 -4.891 495 HH11 ARG 57 1HH1 ARG 57 2.053 -11.661 -6.040 496 HH12 ARG 57 2HH1 ARG 57 3.671 -12.186 -5.724 497 HH21 ARG 57 1HH2 ARG 57 4.768 -9.106 -4.471 498 HH22 ARG 57 2HH2 ARG 57 5.204 -10.739 -4.836 499 H LYS 58 H LYS 58 -0.886 -10.183 -3.696 500 HA LYS 58 HA LYS 58 -0.499 -10.490 -0.820 501 HB2 LYS 58 2HB LYS 58 -1.971 -12.002 -2.240 502 HB3 LYS 58 3HB LYS 58 -0.531 -12.587 -3.049 503 HG2 LYS 58 2HG LYS 58 -0.800 -12.846 -0.051 504 HG3 LYS 58 3HG LYS 58 -1.630 -13.973 -1.115 505 HD2 LYS 58 2HD LYS 58 0.646 -14.470 -2.170 506 HD3 LYS 58 3HD LYS 58 1.367 -13.539 -0.851 507 HE2 LYS 58 2HE LYS 58 1.436 -15.926 -0.327 508 HE3 LYS 58 3HE LYS 58 0.328 -15.114 0.782 509 HZ1 LYS 58 3HZ LYS 58 -1.533 -15.889 -0.569 510 HZ2 LYS 58 1HZ LYS 58 -0.594 -17.195 -0.041 511 HZ3 LYS 58 2HZ LYS 58 -0.467 -16.657 -1.639 512 H VAL 59 H VAL 59 1.519 -10.207 -0.055 513 HA VAL 59 HA VAL 59 3.862 -10.891 -1.750 514 HB VAL 59 HB VAL 59 5.140 -9.075 -0.566 515 HG11 VAL 59 1HG1 VAL 59 4.251 -7.194 -1.878 516 HG12 VAL 59 2HG1 VAL 59 2.740 -8.068 -2.135 517 HG13 VAL 59 3HG1 VAL 59 4.244 -8.684 -2.827 518 HG21 VAL 59 3HG2 VAL 59 3.931 -7.281 0.634 519 HG22 VAL 59 1HG2 VAL 59 3.726 -8.836 1.446 520 HG23 VAL 59 2HG2 VAL 59 2.417 -8.176 0.461 521 H LYS 60 H LYS 60 5.702 -11.629 -0.551 522 HA LYS 60 HA LYS 60 4.983 -13.254 1.765 523 HB2 LYS 60 2HB LYS 60 7.269 -14.268 1.428 524 HB3 LYS 60 3HB LYS 60 6.200 -14.416 0.042 525 HG2 LYS 60 2HG LYS 60 7.384 -12.708 -1.171 526 HG3 LYS 60 3HG LYS 60 8.307 -12.247 0.258 527 HD2 LYS 60 2HD LYS 60 9.679 -13.544 -1.326 528 HD3 LYS 60 3HD LYS 60 9.509 -14.380 0.214 529 HE2 LYS 60 2HE LYS 60 7.774 -15.847 -0.800 530 HE3 LYS 60 3HE LYS 60 7.995 -15.014 -2.344 531 HZ1 LYS 60 3HZ LYS 60 10.025 -16.624 -0.885 532 HZ2 LYS 60 1HZ LYS 60 10.350 -15.716 -2.275 533 HZ3 LYS 60 2HZ LYS 60 9.277 -17.018 -2.347 534 H ASP 61 H ASP 61 7.247 -10.578 1.008 535 HA ASP 61 HA ASP 61 7.730 -9.911 3.762 536 HB2 ASP 61 2HB ASP 61 9.058 -11.986 3.660 537 HB3 ASP 61 3HB ASP 61 9.884 -11.431 2.212 538 H ASP 62 H ASP 62 9.655 -8.269 3.904 539 HA ASP 62 HA ASP 62 8.957 -6.119 2.134 540 HB2 ASP 62 2HB ASP 62 10.429 -4.721 3.511 541 HB3 ASP 62 3HB ASP 62 9.371 -5.700 4.517 542 H ASP 63 H ASP 63 11.517 -8.443 2.176 543 HA ASP 63 HA ASP 63 13.388 -7.165 0.445 544 HB2 ASP 63 2HB ASP 63 13.941 -9.267 1.663 545 HB3 ASP 63 3HB ASP 63 12.794 -10.155 0.668 546 H ASP 64 H ASP 64 10.598 -9.290 -0.225 547 HA ASP 64 HA ASP 64 10.711 -9.237 -3.074 548 HB2 ASP 64 2HB ASP 64 9.404 -10.965 -1.877 549 HB3 ASP 64 3HB ASP 64 8.355 -9.736 -1.181 550 H ILE 65 H ILE 65 9.183 -7.266 -0.643 551 HA ILE 65 HA ILE 65 7.462 -5.671 -2.224 552 HB ILE 65 HB ILE 65 8.697 -5.306 0.515 553 HG12 ILE 65 2HG1 ILE 65 5.823 -5.867 -0.336 554 HG13 ILE 65 3HG1 ILE 65 6.983 -7.102 0.134 555 HG21 ILE 65 1HG2 ILE 65 6.707 -3.395 -0.734 556 HG22 ILE 65 2HG2 ILE 65 8.375 -3.030 -0.288 557 HG23 ILE 65 3HG2 ILE 65 7.189 -3.405 0.962 558 HD11 ILE 65 3HD1 ILE 65 5.422 -6.584 1.907 559 HD12 ILE 65 1HD1 ILE 65 5.957 -4.906 1.912 560 HD13 ILE 65 2HD1 ILE 65 7.075 -6.190 2.371 561 H ASP 66 H ASP 66 10.815 -5.042 -1.110 562 HA ASP 66 HA ASP 66 11.210 -2.530 -2.239 563 HB2 ASP 66 2HB ASP 66 12.842 -3.587 -0.723 564 HB3 ASP 66 3HB ASP 66 13.222 -4.807 -1.936 565 H LYS 67 H LYS 67 11.547 -5.717 -3.662 566 HA LYS 67 HA LYS 67 12.475 -4.833 -6.242 567 HB2 LYS 67 2HB LYS 67 12.025 -7.415 -4.870 568 HB3 LYS 67 3HB LYS 67 11.537 -7.478 -6.552 569 HG2 LYS 67 2HG LYS 67 13.852 -8.250 -6.196 570 HG3 LYS 67 3HG LYS 67 13.748 -6.885 -7.304 571 HD2 LYS 67 2HD LYS 67 15.679 -6.698 -5.791 572 HD3 LYS 67 3HD LYS 67 14.549 -5.364 -5.553 573 HE2 LYS 67 2HE LYS 67 15.481 -6.282 -3.431 574 HE3 LYS 67 3HE LYS 67 13.725 -6.365 -3.509 575 HZ1 LYS 67 3HZ LYS 67 13.918 -8.712 -4.109 576 HZ2 LYS 67 1HZ LYS 67 14.630 -8.396 -2.610 577 HZ3 LYS 67 2HZ LYS 67 15.599 -8.624 -3.977 578 H TRP 68 H TRP 68 9.396 -5.483 -4.760 579 HA TRP 68 HA TRP 68 7.775 -5.767 -7.063 580 HB2 TRP 68 2HB TRP 68 7.191 -6.418 -4.625 581 HB3 TRP 68 3HB TRP 68 6.825 -4.720 -4.349 582 HD1 TRP 68 HD1 TRP 68 5.456 -7.869 -5.963 583 HE1 TRP 68 HE1 TRP 68 3.041 -7.464 -6.735 584 HE3 TRP 68 HE3 TRP 68 5.187 -2.808 -5.231 585 HZ2 TRP 68 HZ2 TRP 68 1.252 -5.301 -6.994 586 HZ3 TRP 68 HZ3 TRP 68 3.082 -1.645 -5.758 587 HH2 TRP 68 HH2 TRP 68 1.156 -2.875 -6.623 588 H ILE 69 H ILE 69 8.616 -2.988 -4.997 589 HA ILE 69 HA ILE 69 7.107 -1.090 -6.577 590 HB ILE 69 HB ILE 69 8.969 -0.837 -4.198 591 HG12 ILE 69 2HG1 ILE 69 6.896 0.479 -3.324 592 HG13 ILE 69 3HG1 ILE 69 6.058 -0.125 -4.747 593 HG21 ILE 69 1HG2 ILE 69 8.049 1.559 -5.816 594 HG22 ILE 69 2HG2 ILE 69 9.715 1.035 -5.573 595 HG23 ILE 69 3HG2 ILE 69 8.774 1.637 -4.208 596 HD11 ILE 69 3HD1 ILE 69 5.576 -1.439 -2.772 597 HD12 ILE 69 1HD1 ILE 69 7.289 -1.797 -2.566 598 HD13 ILE 69 2HD1 ILE 69 6.421 -2.412 -3.974 599 H ASP 70 H ASP 70 10.406 -2.306 -6.449 600 HA ASP 70 HA ASP 70 11.771 -0.402 -7.968 601 HB2 ASP 70 2HB ASP 70 12.901 -2.240 -6.725 602 HB3 ASP 70 3HB ASP 70 12.289 -3.407 -7.893 603 H LYS 71 H LYS 71 9.920 -3.249 -9.030 604 HA LYS 71 HA LYS 71 10.416 -2.753 -11.816 605 HB2 LYS 71 2HB LYS 71 8.914 -4.611 -12.277 606 HB3 LYS 71 3HB LYS 71 10.054 -5.042 -11.010 607 HG2 LYS 71 2HG LYS 71 8.194 -4.518 -9.336 608 HG3 LYS 71 3HG LYS 71 7.097 -4.430 -10.714 609 HD2 LYS 71 2HD LYS 71 6.990 -6.639 -9.631 610 HD3 LYS 71 3HD LYS 71 7.610 -6.790 -11.276 611 HE2 LYS 71 2HE LYS 71 9.877 -7.064 -10.452 612 HE3 LYS 71 3HE LYS 71 9.376 -6.681 -8.805 613 HZ1 LYS 71 3HZ LYS 71 9.696 -9.059 -9.172 614 HZ2 LYS 71 1HZ LYS 71 8.480 -9.058 -10.341 615 HZ3 LYS 71 2HZ LYS 71 8.104 -8.706 -8.729 616 H ILE 72 H ILE 72 7.741 -1.947 -9.541 617 HA ILE 72 HA ILE 72 5.816 -1.168 -11.456 618 HB ILE 72 HB ILE 72 6.194 -0.104 -8.618 619 HG12 ILE 72 2HG1 ILE 72 5.704 -2.564 -8.794 620 HG13 ILE 72 3HG1 ILE 72 4.466 -1.672 -7.931 621 HG21 ILE 72 1HG2 ILE 72 4.863 1.516 -9.888 622 HG22 ILE 72 2HG2 ILE 72 3.835 0.674 -8.729 623 HG23 ILE 72 3HG2 ILE 72 3.780 0.237 -10.438 624 HD11 ILE 72 3HD1 ILE 72 3.512 -3.374 -9.332 625 HD12 ILE 72 1HD1 ILE 72 4.290 -2.694 -10.762 626 HD13 ILE 72 2HD1 ILE 72 3.035 -1.782 -9.917 627 H LYS 73 H LYS 73 8.480 0.662 -9.982 628 HA LYS 73 HA LYS 73 7.916 3.228 -11.088 629 HB2 LYS 73 2HB LYS 73 10.589 2.045 -10.204 630 HB3 LYS 73 3HB LYS 73 10.288 3.754 -10.513 631 HG2 LYS 73 2HG LYS 73 8.719 3.838 -8.632 632 HG3 LYS 73 3HG LYS 73 8.948 2.116 -8.337 633 HD2 LYS 73 2HD LYS 73 11.219 4.135 -8.187 634 HD3 LYS 73 3HD LYS 73 10.213 3.731 -6.801 635 HE2 LYS 73 2HE LYS 73 12.215 2.443 -6.606 636 HE3 LYS 73 3HE LYS 73 10.947 1.323 -7.087 637 HZ1 LYS 73 3HZ LYS 73 12.986 2.498 -8.902 638 HZ2 LYS 73 1HZ LYS 73 11.800 1.379 -9.353 639 HZ3 LYS 73 2HZ LYS 73 13.024 0.936 -8.274 640 H LYS 74 H LYS 74 9.559 0.398 -12.263 641 HA LYS 74 HA LYS 74 11.086 1.690 -14.355 642 HB2 LYS 74 2HB LYS 74 11.669 -0.349 -12.814 643 HB3 LYS 74 3HB LYS 74 10.708 -1.302 -13.930 644 HG2 LYS 74 2HG LYS 74 12.263 -0.890 -15.732 645 HG3 LYS 74 3HG LYS 74 13.101 0.350 -14.795 646 HD2 LYS 74 2HD LYS 74 13.051 -2.639 -14.187 647 HD3 LYS 74 3HD LYS 74 14.428 -1.723 -14.806 648 HE2 LYS 74 2HE LYS 74 14.453 -0.396 -12.692 649 HE3 LYS 74 3HE LYS 74 13.118 -1.369 -12.081 650 HZ1 LYS 74 3HZ LYS 74 15.865 -2.297 -12.692 651 HZ2 LYS 74 1HZ LYS 74 14.584 -3.318 -12.271 652 HZ3 LYS 74 2HZ LYS 74 15.134 -2.165 -11.171 653 H GLU 75 H GLU 75 8.222 -0.315 -14.049 654 HA GLU 75 HA GLU 75 7.671 -0.646 -16.865 655 HB2 GLU 75 2HB GLU 75 5.947 -1.179 -14.399 656 HB3 GLU 75 3HB GLU 75 5.553 -1.689 -16.040 657 HG2 GLU 75 2HG GLU 75 7.365 -3.263 -16.086 658 HG3 GLU 75 3HG GLU 75 8.060 -2.614 -14.606 659 H ARG 76 H ARG 76 6.672 1.424 -14.210 660 HA ARG 76 HA ARG 76 4.952 3.076 -15.982 661 HB2 ARG 76 2HB ARG 76 4.574 2.633 -12.989 662 HB3 ARG 76 3HB ARG 76 3.499 3.519 -14.066 663 HG2 ARG 76 2HG ARG 76 2.715 1.529 -15.100 664 HG3 ARG 76 3HG ARG 76 4.039 0.565 -14.441 665 HD2 ARG 76 2HD ARG 76 3.063 1.079 -12.122 666 HD3 ARG 76 3HD ARG 76 1.640 1.693 -12.968 667 HE ARG 76 HE ARG 76 0.972 -0.455 -13.269 668 HH11 ARG 76 1HH1 ARG 76 4.475 -0.583 -12.791 669 HH12 ARG 76 2HH1 ARG 76 4.527 -2.316 -12.806 670 HH21 ARG 76 1HH2 ARG 76 1.076 -2.707 -13.280 671 HH22 ARG 76 2HH2 ARG 76 2.596 -3.519 -13.087 672 HA PRO 77 HA PRO 77 8.318 5.893 -14.358 673 HB2 PRO 77 2HB PRO 77 8.161 7.092 -17.080 674 HB3 PRO 77 3HB PRO 77 9.567 6.422 -16.232 675 HG2 PRO 77 2HG PRO 77 8.491 5.168 -18.357 676 HG3 PRO 77 3HG PRO 77 9.194 4.265 -16.992 677 HD2 PRO 77 2HD PRO 77 6.281 4.859 -17.545 678 HD3 PRO 77 3HD PRO 77 7.043 3.325 -17.065 679 H GLN 78 H GLN 78 5.167 6.205 -15.645 680 HA GLN 78 HA GLN 78 4.994 9.091 -15.725 681 HB2 GLN 78 2HB GLN 78 2.768 7.041 -16.054 682 HB3 GLN 78 3HB GLN 78 2.745 8.724 -16.580 683 HG2 GLN 78 2HG GLN 78 4.432 8.269 -18.270 684 HG3 GLN 78 3HG GLN 78 4.640 6.623 -17.681 685 HE21 GLN 78 1HE2 GLN 78 1.728 6.198 -17.342 686 HE22 GLN 78 2HE2 GLN 78 1.114 5.987 -18.939 687 H LEU 79 H LEU 79 4.696 6.860 -13.197 688 HA LEU 79 HA LEU 79 3.294 8.850 -11.562 689 HB2 LEU 79 2HB LEU 79 2.029 6.908 -10.408 690 HB3 LEU 79 3HB LEU 79 1.447 7.500 -11.948 691 HG LEU 79 HG LEU 79 2.709 5.466 -13.004 692 HD11 LEU 79 1HD1 LEU 79 2.597 4.489 -10.141 693 HD12 LEU 79 2HD1 LEU 79 4.040 4.752 -11.119 694 HD13 LEU 79 3HD1 LEU 79 2.910 3.476 -11.554 695 HD21 LEU 79 3HD2 LEU 79 0.239 4.984 -11.315 696 HD22 LEU 79 1HD2 LEU 79 0.786 3.985 -12.666 697 HD23 LEU 79 2HD2 LEU 79 0.276 5.648 -12.951 698 H GLU 80 H GLU 80 4.335 9.299 -9.754 699 HA GLU 80 HA GLU 80 6.764 8.025 -8.999 700 HB2 GLU 80 2HB GLU 80 5.153 9.932 -7.239 701 HB3 GLU 80 3HB GLU 80 6.893 9.658 -7.221 702 HG2 GLU 80 2HG GLU 80 5.258 11.160 -9.281 703 HG3 GLU 80 3HG GLU 80 6.505 11.802 -8.220 704 H VAL 81 H VAL 81 7.084 6.409 -7.527 705 HA VAL 81 HA VAL 81 4.717 5.217 -6.185 706 HB VAL 81 HB VAL 81 7.241 3.725 -7.040 707 HG11 VAL 81 1HG1 VAL 81 4.485 2.705 -6.259 708 HG12 VAL 81 2HG1 VAL 81 5.939 2.631 -5.260 709 HG13 VAL 81 3HG1 VAL 81 5.852 1.703 -6.759 710 HG21 VAL 81 3HG2 VAL 81 4.626 3.910 -8.589 711 HG22 VAL 81 1HG2 VAL 81 6.008 2.891 -9.007 712 HG23 VAL 81 2HG2 VAL 81 6.157 4.648 -9.063 713 H ARG 82 H ARG 82 4.794 5.118 -4.013 714 HA ARG 82 HA ARG 82 7.348 5.621 -2.561 715 HB2 ARG 82 2HB ARG 82 5.650 7.453 -2.387 716 HB3 ARG 82 3HB ARG 82 4.478 6.307 -1.750 717 HG2 ARG 82 2HG ARG 82 5.332 7.557 0.103 718 HG3 ARG 82 3HG ARG 82 6.014 5.934 0.218 719 HD2 ARG 82 2HD ARG 82 8.111 6.831 -0.870 720 HD3 ARG 82 3HD ARG 82 7.417 8.452 -0.757 721 HE ARG 82 HE ARG 82 8.289 6.733 1.468 722 HH11 ARG 82 1HH1 ARG 82 7.154 9.914 0.440 723 HH12 ARG 82 2HH1 ARG 82 7.565 10.663 1.945 724 HH21 ARG 82 1HH2 ARG 82 8.839 7.744 3.397 725 HH22 ARG 82 2HH2 ARG 82 8.521 9.436 3.623 726 H LYS 83 H LYS 83 7.927 4.133 -0.964 727 HA LYS 83 HA LYS 83 6.130 1.854 -0.399 728 HB2 LYS 83 2HB LYS 83 9.038 2.236 0.451 729 HB3 LYS 83 3HB LYS 83 8.058 0.796 0.721 730 HG2 LYS 83 2HG LYS 83 7.855 0.818 -1.916 731 HG3 LYS 83 3HG LYS 83 9.313 1.807 -1.822 732 HD2 LYS 83 2HD LYS 83 8.952 -1.013 -0.723 733 HD3 LYS 83 3HD LYS 83 9.877 -0.562 -2.154 734 HE2 LYS 83 2HE LYS 83 10.530 0.280 0.694 735 HE3 LYS 83 3HE LYS 83 11.328 -1.012 -0.204 736 HZ1 LYS 83 3HZ LYS 83 12.023 0.657 -1.850 737 HZ2 LYS 83 1HZ LYS 83 12.645 0.971 -0.309 738 HZ3 LYS 83 2HZ LYS 83 11.348 1.878 -0.895 739 H VAL 84 H VAL 84 4.947 1.879 1.383 740 HA VAL 84 HA VAL 84 5.742 3.464 3.763 741 HB VAL 84 HB VAL 84 3.003 2.620 2.737 742 HG11 VAL 84 1HG1 VAL 84 2.962 2.555 5.185 743 HG12 VAL 84 2HG1 VAL 84 2.008 3.910 4.586 744 HG13 VAL 84 3HG1 VAL 84 3.614 4.192 5.257 745 HG21 VAL 84 3HG2 VAL 84 2.584 4.939 2.312 746 HG22 VAL 84 1HG2 VAL 84 4.093 4.502 1.517 747 HG23 VAL 84 2HG2 VAL 84 4.122 5.414 3.032 748 H THR 85 H THR 85 6.956 1.834 4.767 749 HA THR 85 HA THR 85 5.845 -0.845 5.108 750 HB THR 85 HB THR 85 8.043 -1.297 6.290 751 HG1 THR 85 HG1 THR 85 8.738 0.641 7.031 752 HG21 THR 85 3HG2 THR 85 7.810 -1.738 3.850 753 HG22 THR 85 1HG2 THR 85 9.448 -1.211 4.262 754 HG23 THR 85 2HG2 THR 85 8.321 -0.081 3.512 755 H ASP 86 H ASP 86 6.073 2.120 6.883 756 HA ASP 86 HA ASP 86 5.232 0.838 9.432 757 HB2 ASP 86 2HB ASP 86 6.751 3.443 8.984 758 HB3 ASP 86 3HB ASP 86 6.206 2.861 10.554 759 H GLU 87 H GLU 87 3.755 1.971 10.762 760 HA GLU 87 HA GLU 87 1.539 3.226 9.572 761 HB2 GLU 87 2HB GLU 87 1.620 1.856 11.701 762 HB3 GLU 87 3HB GLU 87 2.360 3.225 12.514 763 HG2 GLU 87 2HG GLU 87 -0.365 3.406 11.206 764 HG3 GLU 87 3HG GLU 87 -0.159 2.814 12.851 765 H ASP 88 H ASP 88 4.313 4.614 11.373 766 HA ASP 88 HA ASP 88 3.466 7.315 11.292 767 HB2 ASP 88 2HB ASP 88 5.703 7.950 11.937 768 HB3 ASP 88 3HB ASP 88 5.293 6.469 12.785 769 H GLN 89 H GLN 89 5.099 5.288 8.933 770 HA GLN 89 HA GLN 89 5.695 7.340 7.030 771 HB2 GLN 89 2HB GLN 89 5.409 4.325 6.751 772 HB3 GLN 89 3HB GLN 89 5.861 5.370 5.409 773 HG2 GLN 89 2HG GLN 89 7.434 5.144 7.995 774 HG3 GLN 89 3HG GLN 89 7.796 4.245 6.520 775 HE21 GLN 89 1HE2 GLN 89 8.651 5.346 4.732 776 HE22 GLN 89 2HE2 GLN 89 9.339 6.926 4.870 777 H ALA 90 H ALA 90 2.891 5.248 7.615 778 HA ALA 90 HA ALA 90 1.358 6.066 5.378 779 HB1 ALA 90 3HB ALA 90 -0.554 5.044 6.537 780 HB2 ALA 90 1HB ALA 90 0.402 4.933 8.020 781 HB3 ALA 90 2HB ALA 90 0.871 4.005 6.594 782 H LYS 91 H LYS 91 1.833 7.526 8.532 783 HA LYS 91 HA LYS 91 -0.011 9.705 7.950 784 HB2 LYS 91 2HB LYS 91 1.990 9.357 10.196 785 HB3 LYS 91 3HB LYS 91 0.912 10.747 10.029 786 HG2 LYS 91 2HG LYS 91 -1.036 9.123 10.087 787 HG3 LYS 91 3HG LYS 91 0.121 7.854 10.508 788 HD2 LYS 91 2HD LYS 91 -0.514 10.361 12.108 789 HD3 LYS 91 3HD LYS 91 -0.931 8.697 12.525 790 HE2 LYS 91 2HE LYS 91 1.881 9.821 12.348 791 HE3 LYS 91 3HE LYS 91 0.983 9.489 13.828 792 HZ1 LYS 91 3HZ LYS 91 0.967 7.169 13.300 793 HZ2 LYS 91 1HZ LYS 91 2.557 7.728 13.258 794 HZ3 LYS 91 2HZ LYS 91 1.722 7.442 11.817 795 H GLN 92 H GLN 92 3.392 9.066 7.424 796 HA GLN 92 HA GLN 92 4.290 11.755 7.127 797 HB2 GLN 92 2HB GLN 92 5.696 9.564 7.396 798 HB3 GLN 92 3HB GLN 92 5.521 9.381 5.660 799 HG2 GLN 92 2HG GLN 92 6.802 11.779 7.014 800 HG3 GLN 92 3HG GLN 92 7.694 10.390 6.419 801 HE21 GLN 92 1HE2 GLN 92 6.015 13.313 5.530 802 HE22 GLN 92 2HE2 GLN 92 6.493 13.325 3.873 803 H ILE 93 H ILE 93 3.305 9.284 4.747 804 HA ILE 93 HA ILE 93 3.378 10.776 2.442 805 HB ILE 93 HB ILE 93 1.641 9.206 1.500 806 HG12 ILE 93 2HG1 ILE 93 1.703 8.159 4.366 807 HG13 ILE 93 3HG1 ILE 93 0.318 8.846 3.529 808 HG21 ILE 93 1HG2 ILE 93 3.128 7.241 1.604 809 HG22 ILE 93 2HG2 ILE 93 3.983 7.942 2.980 810 HG23 ILE 93 3HG2 ILE 93 4.060 8.726 1.400 811 HD11 ILE 93 3HD1 ILE 93 0.128 6.468 3.702 812 HD12 ILE 93 1HD1 ILE 93 1.671 6.249 2.892 813 HD13 ILE 93 2HD1 ILE 93 0.308 6.933 2.013 814 H LEU 94 H LEU 94 0.757 10.811 4.851 815 HA LEU 94 HA LEU 94 -1.180 12.299 3.559 816 HB2 LEU 94 2HB LEU 94 -0.220 12.555 6.428 817 HB3 LEU 94 3HB LEU 94 -1.629 13.423 5.839 818 HG LEU 94 HG LEU 94 -1.382 10.385 5.865 819 HD11 LEU 94 1HD1 LEU 94 -2.860 12.185 7.810 820 HD12 LEU 94 2HD1 LEU 94 -1.393 11.260 8.151 821 HD13 LEU 94 3HD1 LEU 94 -2.896 10.419 7.785 822 HD21 LEU 94 3HD2 LEU 94 -3.798 12.162 5.348 823 HD22 LEU 94 1HD2 LEU 94 -3.808 10.398 5.442 824 HD23 LEU 94 2HD2 LEU 94 -2.935 11.203 4.143 825 H GLU 95 H GLU 95 1.724 13.652 5.205 826 HA GLU 95 HA GLU 95 1.176 16.334 4.191 827 HB2 GLU 95 2HB GLU 95 3.212 17.060 5.342 828 HB3 GLU 95 3HB GLU 95 2.196 16.125 6.434 829 HG2 GLU 95 2HG GLU 95 3.666 14.283 6.428 830 HG3 GLU 95 3HG GLU 95 4.488 14.819 4.968 831 H ASP 96 H ASP 96 2.992 13.549 3.200 832 HA ASP 96 HA ASP 96 5.073 14.856 1.695 833 HB2 ASP 96 2HB ASP 96 5.289 12.547 2.619 834 HB3 ASP 96 3HB ASP 96 4.084 11.999 1.468 835 H LEU 97 H LEU 97 1.848 13.674 0.918 836 HA LEU 97 HA LEU 97 1.901 13.976 -1.910 837 HB2 LEU 97 2HB LEU 97 -0.232 13.797 0.206 838 HB3 LEU 97 3HB LEU 97 -0.720 14.397 -1.365 839 HG LEU 97 HG LEU 97 -0.182 12.307 -2.448 840 HD11 LEU 97 1HD1 LEU 97 0.898 11.249 0.171 841 HD12 LEU 97 2HD1 LEU 97 1.875 11.716 -1.223 842 HD13 LEU 97 3HD1 LEU 97 0.753 10.367 -1.352 843 HD21 LEU 97 3HD2 LEU 97 -1.750 10.823 -1.387 844 HD22 LEU 97 1HD2 LEU 97 -2.338 12.475 -1.250 845 HD23 LEU 97 2HD2 LEU 97 -1.604 11.682 0.148 846 H LYS 98 H LYS 98 1.665 16.175 0.700 847 HA LYS 98 HA LYS 98 0.559 18.409 -0.843 848 HB2 LYS 98 2HB LYS 98 1.516 18.508 2.047 849 HB3 LYS 98 3HB LYS 98 0.376 19.587 1.245 850 HG2 LYS 98 2HG LYS 98 -0.099 16.691 2.026 851 HG3 LYS 98 3HG LYS 98 -0.782 18.111 2.815 852 HD2 LYS 98 2HD LYS 98 -1.372 17.233 -0.045 853 HD3 LYS 98 3HD LYS 98 -2.408 16.925 1.350 854 HE2 LYS 98 2HE LYS 98 -2.692 19.371 1.664 855 HE3 LYS 98 3HE LYS 98 -1.685 19.662 0.240 856 HZ1 LYS 98 3HZ LYS 98 -4.040 19.767 -0.287 857 HZ2 LYS 98 1HZ LYS 98 -4.264 18.183 0.263 858 HZ3 LYS 98 2HZ LYS 98 -3.308 18.477 -1.096 859 H LYS 99 H LYS 99 3.578 17.317 0.622 860 HA LYS 99 HA LYS 99 4.992 19.814 0.184 861 HB2 LYS 99 2HB LYS 99 6.092 17.149 1.178 862 HB3 LYS 99 3HB LYS 99 6.923 18.698 1.237 863 HG2 LYS 99 2HG LYS 99 4.571 17.765 2.892 864 HG3 LYS 99 3HG LYS 99 6.164 18.266 3.445 865 HD2 LYS 99 2HD LYS 99 4.059 20.101 2.229 866 HD3 LYS 99 3HD LYS 99 4.393 19.932 3.951 867 HE2 LYS 99 2HE LYS 99 6.654 20.832 3.625 868 HE3 LYS 99 3HE LYS 99 6.377 20.943 1.884 869 HZ1 LYS 99 3HZ LYS 99 4.627 22.541 2.283 870 HZ2 LYS 99 1HZ LYS 99 6.057 23.071 3.012 871 HZ3 LYS 99 2HZ LYS 99 4.829 22.403 3.955 872 H LYS 100 H LYS 100 4.905 16.582 -1.261 873 HA LYS 100 HA LYS 100 7.122 17.061 -3.056 874 HB2 LYS 100 2HB LYS 100 6.696 14.769 -2.249 875 HB3 LYS 100 3HB LYS 100 5.103 14.774 -2.994 876 HG2 LYS 100 2HG LYS 100 6.127 14.881 -5.235 877 HG3 LYS 100 3HG LYS 100 7.734 14.953 -4.519 878 HD2 LYS 100 2HD LYS 100 5.871 12.594 -4.050 879 HD3 LYS 100 3HD LYS 100 6.931 12.677 -5.455 880 HE2 LYS 100 2HE LYS 100 7.971 11.336 -3.696 881 HE3 LYS 100 3HE LYS 100 8.901 12.808 -3.958 882 HZ1 LYS 100 3HZ LYS 100 7.984 13.750 -1.976 883 HZ2 LYS 100 1HZ LYS 100 8.586 12.218 -1.592 884 HZ3 LYS 100 2HZ LYS 100 6.925 12.453 -1.774 885 H GLY 101 H GLY 101 6.617 18.807 -4.235 886 HA2 GLY 101 2HA GLY 101 4.826 18.457 -6.520 887 HA3 GLY 101 3HA GLY 101 4.508 19.845 -5.471 888 H SER 102 H SER 102 7.316 18.210 -6.911 889 HA SER 102 HA SER 102 9.008 20.482 -6.915 890 HB2 SER 102 2HB SER 102 9.851 18.127 -6.931 891 HB3 SER 102 3HB SER 102 9.261 17.934 -8.581 892 HG SER 102 HG SER 102 11.517 19.194 -7.652 893 H LEU 103 H LEU 103 9.630 21.858 -8.551 894 HA LEU 103 HA LEU 103 7.898 22.400 -10.769 895 HB2 LEU 103 2HB LEU 103 10.742 23.391 -10.268 896 HB3 LEU 103 3HB LEU 103 9.567 24.111 -11.363 897 HG LEU 103 HG LEU 103 9.362 24.050 -8.321 898 HD11 LEU 103 1HD1 LEU 103 9.934 26.378 -10.177 899 HD12 LEU 103 2HD1 LEU 103 11.085 25.593 -9.094 900 HD13 LEU 103 3HD1 LEU 103 9.713 26.471 -8.425 901 HD21 LEU 103 3HD2 LEU 103 7.128 23.940 -9.303 902 HD22 LEU 103 1HD2 LEU 103 7.477 25.337 -10.327 903 HD23 LEU 103 2HD2 LEU 103 7.400 25.518 -8.572 904 H GLU 104 H GLU 104 10.808 20.577 -10.233 905 HA GLU 104 HA GLU 104 11.493 20.103 -13.018 906 HB2 GLU 104 2HB GLU 104 12.563 18.798 -10.476 907 HB3 GLU 104 3HB GLU 104 13.305 18.734 -12.072 908 HG2 GLU 104 2HG GLU 104 13.889 21.077 -11.957 909 HG3 GLU 104 3HG GLU 104 12.975 21.279 -10.459 910 H HIS 105 H HIS 105 11.438 18.006 -14.011 911 HA HIS 105 HA HIS 105 9.903 15.842 -12.689 912 HB2 HIS 105 2HB HIS 105 9.981 14.692 -14.879 913 HB3 HIS 105 3HB HIS 105 9.315 16.305 -15.048 914 HD1 HIS 105 HD1 HIS 105 10.637 17.995 -16.491 915 HD2 HIS 105 HD2 HIS 105 12.437 14.252 -16.222 916 HE1 HIS 105 HE1 HIS 105 12.388 17.941 -18.296 917 HE2 HIS 105 HE2 HIS 105 13.327 15.611 -18.222 918 H HIS 106 H HIS 106 12.240 16.598 -11.473 919 HA HIS 106 HA HIS 106 14.700 15.600 -12.301 920 HB2 HIS 106 2HB HIS 106 14.404 17.361 -10.585 921 HB3 HIS 106 3HB HIS 106 13.691 16.201 -9.483 922 HD1 HIS 106 HD1 HIS 106 16.835 17.790 -10.286 923 HD2 HIS 106 HD2 HIS 106 15.708 14.145 -8.618 924 HE1 HIS 106 HE1 HIS 106 18.874 16.903 -9.110 925 HE2 HIS 106 HE2 HIS 106 18.199 14.654 -8.238 926 H HIS 107 H HIS 107 12.185 14.093 -10.337 927 HA HIS 107 HA HIS 107 13.791 12.054 -9.184 928 HB2 HIS 107 2HB HIS 107 11.593 13.044 -8.284 929 HB3 HIS 107 3HB HIS 107 10.756 12.015 -9.439 930 HD1 HIS 107 HD1 HIS 107 10.037 9.848 -8.481 931 HD2 HIS 107 HD2 HIS 107 13.320 11.400 -6.473 932 HE1 HIS 107 HE1 HIS 107 10.454 8.294 -6.553 933 HE2 HIS 107 HE2 HIS 107 12.534 9.179 -5.455 934 H HIS 108 H HIS 108 14.857 11.085 -10.919 935 HA HIS 108 HA HIS 108 13.586 9.955 -13.203 936 HB2 HIS 108 2HB HIS 108 15.911 10.717 -13.293 937 HB3 HIS 108 3HB HIS 108 16.381 9.561 -12.056 938 HD1 HIS 108 HD1 HIS 108 17.117 7.298 -12.843 939 HD2 HIS 108 HD2 HIS 108 15.220 9.465 -15.839 940 HE1 HIS 108 HE1 HIS 108 17.389 5.939 -14.934 941 HE2 HIS 108 HE2 HIS 108 16.422 7.374 -16.754 942 H HIS 109 H HIS 109 12.819 7.974 -13.531 943 HA HIS 109 HA HIS 109 12.458 6.158 -11.296 944 HB2 HIS 109 2HB HIS 109 11.269 6.322 -14.091 945 HB3 HIS 109 3HB HIS 109 11.015 4.910 -13.067 946 HD1 HIS 109 HD1 HIS 109 8.844 5.026 -11.957 947 HD2 HIS 109 HD2 HIS 109 10.499 8.799 -12.382 948 HE1 HIS 109 HE1 HIS 109 7.263 6.589 -10.826 949 HE2 HIS 109 HE2 HIS 109 8.132 8.877 -11.382 950 H HIS 110 H HIS 110 13.262 4.182 -11.119 951 HA HIS 110 HA HIS 110 14.242 2.626 -13.303 952 HB2 HIS 110 2HB HIS 110 16.522 2.210 -12.316 953 HB3 HIS 110 3HB HIS 110 16.322 3.850 -12.920 954 HD1 HIS 110 HD1 HIS 110 16.882 1.903 -9.808 955 HD2 HIS 110 HD2 HIS 110 16.370 5.863 -10.894 956 HE1 HIS 110 HE1 HIS 110 17.573 3.231 -7.804 957 HE2 HIS 110 HE2 HIS 110 17.063 5.608 -8.426 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.985 18.513 -7.189 2 H2 MET 1 2H MET 1 -0.433 18.603 -8.104 3 H3 MET 1 3H MET 1 1.058 18.394 -8.873 4 HA MET 1 HA MET 1 1.353 16.269 -7.953 5 HB2 MET 1 2HB MET 1 -0.345 15.187 -6.539 6 HB3 MET 1 3HB MET 1 0.267 16.650 -5.787 7 HG2 MET 1 2HG MET 1 -2.421 16.314 -7.137 8 HG3 MET 1 3HG MET 1 -2.107 16.468 -5.411 9 HE1 MET 1 3HE MET 1 -3.556 18.528 -4.773 10 HE2 MET 1 1HE MET 1 -4.305 18.301 -6.357 11 HE3 MET 1 2HE MET 1 -3.782 19.905 -5.849 12 H GLY 2 H GLY 2 1.078 14.884 -9.541 13 HA2 GLY 2 2HA GLY 2 -1.497 14.783 -11.029 14 HA3 GLY 2 3HA GLY 2 0.080 14.574 -11.788 15 H SER 3 H SER 3 0.597 12.522 -12.170 16 HA SER 3 HA SER 3 -0.673 10.313 -10.895 17 HB2 SER 3 2HB SER 3 1.854 10.372 -12.607 18 HB3 SER 3 3HB SER 3 0.900 8.937 -12.219 19 HG SER 3 HG SER 3 -0.730 10.782 -13.245 20 H LYS 4 H LYS 4 -0.347 10.428 -8.671 21 HA LYS 4 HA LYS 4 2.350 9.553 -7.795 22 HB2 LYS 4 2HB LYS 4 1.931 11.720 -6.752 23 HB3 LYS 4 3HB LYS 4 0.319 11.224 -6.240 24 HG2 LYS 4 2HG LYS 4 1.308 9.546 -4.713 25 HG3 LYS 4 3HG LYS 4 2.929 10.017 -5.223 26 HD2 LYS 4 2HD LYS 4 0.957 11.913 -3.917 27 HD3 LYS 4 3HD LYS 4 2.137 10.970 -3.015 28 HE2 LYS 4 2HE LYS 4 2.887 12.963 -5.174 29 HE3 LYS 4 3HE LYS 4 2.799 13.353 -3.457 30 HZ1 LYS 4 3HZ LYS 4 5.051 12.787 -4.327 31 HZ2 LYS 4 1HZ LYS 4 4.519 11.192 -4.517 32 HZ3 LYS 4 2HZ LYS 4 4.559 11.888 -2.981 33 H ILE 5 H ILE 5 2.345 7.547 -7.039 34 HA ILE 5 HA ILE 5 -0.150 6.338 -6.002 35 HB ILE 5 HB ILE 5 0.608 4.148 -6.774 36 HG12 ILE 5 2HG1 ILE 5 3.045 5.552 -7.977 37 HG13 ILE 5 3HG1 ILE 5 3.069 4.483 -6.579 38 HG21 ILE 5 1HG2 ILE 5 0.363 4.423 -9.209 39 HG22 ILE 5 2HG2 ILE 5 0.764 6.141 -9.075 40 HG23 ILE 5 3HG2 ILE 5 -0.728 5.519 -8.353 41 HD11 ILE 5 3HD1 ILE 5 3.860 3.362 -8.555 42 HD12 ILE 5 1HD1 ILE 5 2.344 3.691 -9.393 43 HD13 ILE 5 2HD1 ILE 5 2.365 2.623 -7.985 44 H ILE 6 H ILE 6 0.020 5.268 -4.098 45 HA ILE 6 HA ILE 6 2.608 5.387 -2.647 46 HB ILE 6 HB ILE 6 -0.206 5.517 -1.473 47 HG12 ILE 6 2HG1 ILE 6 0.341 7.629 -2.653 48 HG13 ILE 6 3HG1 ILE 6 0.273 7.880 -0.920 49 HG21 ILE 6 1HG2 ILE 6 2.489 5.812 -0.099 50 HG22 ILE 6 2HG2 ILE 6 1.415 4.415 0.017 51 HG23 ILE 6 3HG2 ILE 6 0.908 5.972 0.667 52 HD11 ILE 6 3HD1 ILE 6 2.719 7.920 -0.838 53 HD12 ILE 6 1HD1 ILE 6 2.055 9.148 -1.914 54 HD13 ILE 6 2HD1 ILE 6 2.769 7.684 -2.588 55 H VAL 7 H VAL 7 3.346 3.504 -1.863 56 HA VAL 7 HA VAL 7 1.679 1.063 -2.136 57 HB VAL 7 HB VAL 7 4.738 1.221 -2.234 58 HG11 VAL 7 1HG1 VAL 7 2.836 -1.080 -2.820 59 HG12 VAL 7 2HG1 VAL 7 3.896 -0.931 -1.416 60 HG13 VAL 7 3HG1 VAL 7 4.587 -1.121 -3.027 61 HG21 VAL 7 3HG2 VAL 7 3.786 2.328 -4.233 62 HG22 VAL 7 1HG2 VAL 7 2.814 0.893 -4.578 63 HG23 VAL 7 2HG2 VAL 7 4.576 0.813 -4.667 64 H ILE 8 H ILE 8 0.962 0.575 -0.129 65 HA ILE 8 HA ILE 8 2.526 1.337 2.264 66 HB ILE 8 HB ILE 8 -0.480 0.882 1.932 67 HG12 ILE 8 2HG1 ILE 8 1.132 3.407 2.523 68 HG13 ILE 8 3HG1 ILE 8 0.293 3.043 1.023 69 HG21 ILE 8 1HG2 ILE 8 1.032 1.601 4.468 70 HG22 ILE 8 2HG2 ILE 8 0.242 0.058 4.139 71 HG23 ILE 8 3HG2 ILE 8 -0.723 1.525 4.304 72 HD11 ILE 8 3HD1 ILE 8 -0.916 4.670 2.310 73 HD12 ILE 8 1HD1 ILE 8 -0.995 3.584 3.697 74 HD13 ILE 8 2HD1 ILE 8 -1.851 3.180 2.206 75 H ILE 9 H ILE 9 3.239 -0.247 3.551 76 HA ILE 9 HA ILE 9 2.741 -3.063 2.829 77 HB ILE 9 HB ILE 9 5.120 -1.813 4.305 78 HG12 ILE 9 2HG1 ILE 9 6.472 -2.784 2.372 79 HG13 ILE 9 3HG1 ILE 9 4.959 -3.145 1.554 80 HG21 ILE 9 1HG2 ILE 9 4.611 -4.760 3.715 81 HG22 ILE 9 2HG2 ILE 9 4.595 -3.998 5.307 82 HG23 ILE 9 3HG2 ILE 9 6.099 -4.095 4.393 83 HD11 ILE 9 3HD1 ILE 9 6.024 -1.142 0.689 84 HD12 ILE 9 1HD1 ILE 9 5.973 -0.401 2.289 85 HD13 ILE 9 2HD1 ILE 9 4.472 -0.751 1.430 86 H SER 10 H SER 10 1.013 -3.617 4.072 87 HA SER 10 HA SER 10 0.845 -2.696 6.858 88 HB2 SER 10 2HB SER 10 -1.142 -2.376 5.407 89 HB3 SER 10 3HB SER 10 -1.230 -4.123 5.158 90 HG SER 10 HG SER 10 -2.358 -2.806 7.061 91 H SER 11 H SER 11 2.009 -3.938 8.110 92 HA SER 11 HA SER 11 2.214 -6.833 7.743 93 HB2 SER 11 2HB SER 11 3.624 -5.019 9.753 94 HB3 SER 11 3HB SER 11 4.023 -6.706 9.408 95 HG SER 11 HG SER 11 4.053 -4.658 7.444 96 H ASP 12 H ASP 12 -0.126 -6.977 8.198 97 HA ASP 12 HA ASP 12 -1.882 -7.672 9.457 98 HB2 ASP 12 2HB ASP 12 -0.137 -9.340 10.157 99 HB3 ASP 12 3HB ASP 12 0.300 -8.304 11.507 100 H ASP 13 H ASP 13 -1.363 -4.834 9.531 101 HA ASP 13 HA ASP 13 -2.370 -4.112 12.235 102 HB2 ASP 13 2HB ASP 13 0.080 -3.465 11.841 103 HB3 ASP 13 3HB ASP 13 -0.494 -2.328 10.628 104 H THR 14 H THR 14 -3.863 -2.441 12.358 105 HA THR 14 HA THR 14 -5.573 -2.245 10.007 106 HB THR 14 HB THR 14 -6.109 -1.410 12.894 107 HG1 THR 14 HG1 THR 14 -6.496 -3.828 11.462 108 HG21 THR 14 3HG2 THR 14 -8.060 -1.817 10.588 109 HG22 THR 14 1HG2 THR 14 -7.653 -0.268 11.340 110 HG23 THR 14 2HG2 THR 14 -8.509 -1.502 12.265 111 H THR 15 H THR 15 -3.714 -0.030 12.116 112 HA THR 15 HA THR 15 -4.829 2.404 11.534 113 HB THR 15 HB THR 15 -1.826 1.967 11.833 114 HG1 THR 15 HG1 THR 15 -2.491 1.005 13.614 115 HG21 THR 15 3HG2 THR 15 -2.485 4.305 11.303 116 HG22 THR 15 1HG2 THR 15 -1.862 4.169 12.952 117 HG23 THR 15 2HG2 THR 15 -3.598 4.301 12.671 118 H LEU 16 H LEU 16 -2.403 0.659 9.603 119 HA LEU 16 HA LEU 16 -1.772 2.773 7.800 120 HB2 LEU 16 2HB LEU 16 -1.408 -0.235 7.455 121 HB3 LEU 16 3HB LEU 16 -0.778 0.972 6.350 122 HG LEU 16 HG LEU 16 0.510 1.928 8.412 123 HD11 LEU 16 1HD1 LEU 16 -0.069 -0.837 9.495 124 HD12 LEU 16 2HD1 LEU 16 -0.679 0.686 10.145 125 HD13 LEU 16 3HD1 LEU 16 1.049 0.345 10.185 126 HD21 LEU 16 3HD2 LEU 16 1.622 0.827 6.528 127 HD22 LEU 16 1HD2 LEU 16 1.347 -0.751 7.269 128 HD23 LEU 16 2HD2 LEU 16 2.407 0.426 8.053 129 H GLU 17 H GLU 17 -4.288 0.403 7.879 130 HA GLU 17 HA GLU 17 -5.172 0.626 5.140 131 HB2 GLU 17 2HB GLU 17 -6.867 -0.407 7.440 132 HB3 GLU 17 3HB GLU 17 -6.862 -0.930 5.763 133 HG2 GLU 17 2HG GLU 17 -4.592 -1.433 7.702 134 HG3 GLU 17 3HG GLU 17 -5.906 -2.562 7.408 135 H GLU 18 H GLU 18 -6.063 1.948 8.304 136 HA GLU 18 HA GLU 18 -8.391 3.389 7.618 137 HB2 GLU 18 2HB GLU 18 -6.306 3.792 9.806 138 HB3 GLU 18 3HB GLU 18 -7.771 4.756 9.702 139 HG2 GLU 18 2HG GLU 18 -7.721 1.745 10.032 140 HG3 GLU 18 3HG GLU 18 -7.888 2.896 11.359 141 H LEU 19 H LEU 19 -4.965 4.261 7.761 142 HA LEU 19 HA LEU 19 -5.134 6.989 7.078 143 HB2 LEU 19 2HB LEU 19 -2.824 5.025 6.735 144 HB3 LEU 19 3HB LEU 19 -2.674 6.772 6.631 145 HG LEU 19 HG LEU 19 -3.564 5.305 9.144 146 HD11 LEU 19 1HD1 LEU 19 -1.275 4.659 8.609 147 HD12 LEU 19 2HD1 LEU 19 -1.326 5.671 10.049 148 HD13 LEU 19 3HD1 LEU 19 -0.797 6.357 8.509 149 HD21 LEU 19 3HD2 LEU 19 -4.350 7.604 9.080 150 HD22 LEU 19 1HD2 LEU 19 -2.712 8.186 8.763 151 HD23 LEU 19 2HD2 LEU 19 -3.098 7.413 10.303 152 H ALA 20 H ALA 20 -4.606 4.052 5.148 153 HA ALA 20 HA ALA 20 -3.796 5.058 2.708 154 HB1 ALA 20 3HB ALA 20 -4.560 2.931 1.744 155 HB2 ALA 20 1HB ALA 20 -5.534 2.615 3.189 156 HB3 ALA 20 2HB ALA 20 -3.776 2.668 3.300 157 H ARG 21 H ARG 21 -7.072 4.753 3.962 158 HA ARG 21 HA ARG 21 -8.576 5.200 1.615 159 HB2 ARG 21 2HB ARG 21 -9.409 4.258 3.822 160 HB3 ARG 21 3HB ARG 21 -9.358 5.884 4.491 161 HG2 ARG 21 2HG ARG 21 -11.640 5.337 3.870 162 HG3 ARG 21 3HG ARG 21 -11.041 6.608 2.805 163 HD2 ARG 21 2HD ARG 21 -10.553 4.838 1.076 164 HD3 ARG 21 3HD ARG 21 -11.329 3.650 2.129 165 HE ARG 21 HE ARG 21 -12.653 5.930 0.787 166 HH11 ARG 21 1HH1 ARG 21 -12.945 2.845 2.444 167 HH12 ARG 21 2HH1 ARG 21 -14.633 2.681 2.074 168 HH21 ARG 21 1HH2 ARG 21 -14.844 5.701 0.311 169 HH22 ARG 21 2HH2 ARG 21 -15.706 4.301 0.866 170 H LYS 22 H LYS 22 -7.025 7.443 3.835 171 HA LYS 22 HA LYS 22 -8.356 9.830 2.925 172 HB2 LYS 22 2HB LYS 22 -5.906 9.367 4.676 173 HB3 LYS 22 3HB LYS 22 -6.427 10.984 4.222 174 HG2 LYS 22 2HG LYS 22 -7.235 10.514 6.443 175 HG3 LYS 22 3HG LYS 22 -8.622 10.558 5.352 176 HD2 LYS 22 2HD LYS 22 -8.516 8.021 5.275 177 HD3 LYS 22 3HD LYS 22 -7.279 8.093 6.533 178 HE2 LYS 22 2HE LYS 22 -9.481 7.621 7.495 179 HE3 LYS 22 3HE LYS 22 -8.903 9.197 8.041 180 HZ1 LYS 22 3HZ LYS 22 -10.310 10.240 6.369 181 HZ2 LYS 22 1HZ LYS 22 -11.224 9.279 7.412 182 HZ3 LYS 22 2HZ LYS 22 -10.861 8.728 5.855 183 H ILE 23 H ILE 23 -5.281 8.186 2.187 184 HA ILE 23 HA ILE 23 -4.138 10.291 0.634 185 HB ILE 23 HB ILE 23 -3.460 7.330 0.861 186 HG12 ILE 23 2HG1 ILE 23 -1.229 8.382 1.752 187 HG13 ILE 23 3HG1 ILE 23 -2.132 9.879 1.883 188 HG21 ILE 23 1HG2 ILE 23 -1.957 9.344 -0.844 189 HG22 ILE 23 2HG2 ILE 23 -2.929 8.001 -1.449 190 HG23 ILE 23 3HG2 ILE 23 -1.472 7.680 -0.518 191 HD11 ILE 23 3HD1 ILE 23 -1.946 8.707 4.000 192 HD12 ILE 23 1HD1 ILE 23 -2.762 7.304 3.311 193 HD13 ILE 23 2HD1 ILE 23 -3.630 8.831 3.489 194 H LYS 24 H LYS 24 -5.941 7.303 -0.251 195 HA LYS 24 HA LYS 24 -5.716 7.694 -3.066 196 HB2 LYS 24 2HB LYS 24 -7.406 5.879 -3.288 197 HB3 LYS 24 3HB LYS 24 -6.047 5.459 -2.268 198 HG2 LYS 24 2HG LYS 24 -7.891 4.518 -1.181 199 HG3 LYS 24 3HG LYS 24 -7.552 5.979 -0.266 200 HD2 LYS 24 2HD LYS 24 -9.977 5.590 -0.585 201 HD3 LYS 24 3HD LYS 24 -9.446 7.113 -1.297 202 HE2 LYS 24 2HE LYS 24 -11.023 5.980 -2.774 203 HE3 LYS 24 3HE LYS 24 -9.435 6.045 -3.531 204 HZ1 LYS 24 3HZ LYS 24 -10.728 3.710 -2.244 205 HZ2 LYS 24 1HZ LYS 24 -9.104 3.726 -2.730 206 HZ3 LYS 24 2HZ LYS 24 -10.332 3.900 -3.875 207 H ASP 25 H ASP 25 -7.797 9.069 -0.720 208 HA ASP 25 HA ASP 25 -10.083 9.609 -2.328 209 HB2 ASP 25 2HB ASP 25 -10.054 9.575 0.195 210 HB3 ASP 25 3HB ASP 25 -9.188 11.107 0.170 211 H GLU 26 H GLU 26 -6.972 11.018 -2.280 212 HA GLU 26 HA GLU 26 -7.584 13.602 -3.378 213 HB2 GLU 26 2HB GLU 26 -5.035 11.940 -3.556 214 HB3 GLU 26 3HB GLU 26 -5.166 13.652 -3.921 215 HG2 GLU 26 2HG GLU 26 -5.543 12.376 -1.216 216 HG3 GLU 26 3HG GLU 26 -4.119 13.253 -1.750 217 H GLY 27 H GLY 27 -8.116 10.599 -4.663 218 HA2 GLY 27 2HA GLY 27 -8.552 9.865 -6.809 219 HA3 GLY 27 3HA GLY 27 -7.989 11.409 -7.451 220 H LEU 28 H LEU 28 -6.258 9.288 -5.205 221 HA LEU 28 HA LEU 28 -4.131 8.825 -7.224 222 HB2 LEU 28 2HB LEU 28 -3.917 8.475 -4.200 223 HB3 LEU 28 3HB LEU 28 -2.614 8.366 -5.369 224 HG LEU 28 HG LEU 28 -4.002 10.837 -4.314 225 HD11 LEU 28 1HD1 LEU 28 -2.114 10.011 -3.030 226 HD12 LEU 28 2HD1 LEU 28 -1.708 11.545 -3.792 227 HD13 LEU 28 3HD1 LEU 28 -1.087 10.035 -4.466 228 HD21 LEU 28 3HD2 LEU 28 -2.224 10.778 -6.767 229 HD22 LEU 28 1HD2 LEU 28 -2.774 12.230 -5.915 230 HD23 LEU 28 2HD2 LEU 28 -3.942 11.186 -6.717 231 H GLU 29 H GLU 29 -3.503 6.727 -7.687 232 HA GLU 29 HA GLU 29 -5.140 4.505 -6.807 233 HB2 GLU 29 2HB GLU 29 -4.517 4.661 -9.145 234 HB3 GLU 29 3HB GLU 29 -2.812 4.830 -8.746 235 HG2 GLU 29 2HG GLU 29 -2.675 2.518 -8.050 236 HG3 GLU 29 3HG GLU 29 -4.421 2.317 -8.187 237 H VAL 30 H VAL 30 -4.673 3.692 -4.832 238 HA VAL 30 HA VAL 30 -1.898 3.683 -3.814 239 HB VAL 30 HB VAL 30 -4.567 3.542 -2.316 240 HG11 VAL 30 1HG1 VAL 30 -2.983 2.036 -1.172 241 HG12 VAL 30 2HG1 VAL 30 -3.225 3.494 -0.209 242 HG13 VAL 30 3HG1 VAL 30 -1.752 3.300 -1.164 243 HG21 VAL 30 3HG2 VAL 30 -3.885 5.788 -3.081 244 HG22 VAL 30 1HG2 VAL 30 -2.318 5.595 -2.288 245 HG23 VAL 30 2HG2 VAL 30 -3.795 5.675 -1.322 246 H TYR 31 H TYR 31 -0.894 1.859 -3.474 247 HA TYR 31 HA TYR 31 -2.158 -0.734 -4.051 248 HB2 TYR 31 2HB TYR 31 0.747 0.211 -4.148 249 HB3 TYR 31 3HB TYR 31 0.267 -1.469 -4.352 250 HD1 TYR 31 HD1 TYR 31 -1.081 -2.136 -6.369 251 HD2 TYR 31 HD2 TYR 31 0.596 1.785 -6.023 252 HE1 TYR 31 HE1 TYR 31 -1.338 -1.814 -8.780 253 HE2 TYR 31 HE2 TYR 31 0.325 2.096 -8.459 254 HH TYR 31 HH TYR 31 -1.521 -0.038 -10.384 255 H ILE 32 H ILE 32 -2.254 -2.198 -2.376 256 HA ILE 32 HA ILE 32 -0.811 -1.539 0.152 257 HB ILE 32 HB ILE 32 -3.388 -3.161 -0.145 258 HG12 ILE 32 2HG1 ILE 32 -3.793 -0.734 -0.587 259 HG13 ILE 32 3HG1 ILE 32 -4.591 -1.280 0.879 260 HG21 ILE 32 1HG2 ILE 32 -3.501 -3.050 2.334 261 HG22 ILE 32 2HG2 ILE 32 -1.931 -2.243 2.366 262 HG23 ILE 32 3HG2 ILE 32 -2.059 -3.902 1.777 263 HD11 ILE 32 3HD1 ILE 32 -3.630 0.933 1.134 264 HD12 ILE 32 1HD1 ILE 32 -2.027 0.305 0.757 265 HD13 ILE 32 2HD1 ILE 32 -2.858 -0.214 2.227 266 H LEU 33 H LEU 33 0.880 -2.904 0.481 267 HA LEU 33 HA LEU 33 0.876 -5.603 -0.655 268 HB2 LEU 33 2HB LEU 33 3.081 -4.089 0.807 269 HB3 LEU 33 3HB LEU 33 3.238 -5.688 0.092 270 HG LEU 33 HG LEU 33 2.939 -3.029 -1.324 271 HD11 LEU 33 1HD1 LEU 33 5.219 -3.674 -0.740 272 HD12 LEU 33 2HD1 LEU 33 4.989 -3.691 -2.486 273 HD13 LEU 33 3HD1 LEU 33 5.027 -5.211 -1.590 274 HD21 LEU 33 3HD2 LEU 33 1.349 -4.506 -2.425 275 HD22 LEU 33 1HD2 LEU 33 2.580 -5.760 -2.603 276 HD23 LEU 33 2HD2 LEU 33 2.734 -4.232 -3.469 277 H LEU 34 H LEU 34 -0.371 -6.846 0.531 278 HA LEU 34 HA LEU 34 -0.507 -6.500 3.439 279 HB2 LEU 34 2HB LEU 34 -2.490 -6.982 1.569 280 HB3 LEU 34 3HB LEU 34 -2.172 -8.617 2.108 281 HG LEU 34 HG LEU 34 -4.061 -7.549 3.333 282 HD11 LEU 34 1HD1 LEU 34 -3.375 -8.016 5.665 283 HD12 LEU 34 2HD1 LEU 34 -1.692 -8.140 5.139 284 HD13 LEU 34 3HD1 LEU 34 -2.894 -9.289 4.548 285 HD21 LEU 34 3HD2 LEU 34 -3.683 -5.696 4.871 286 HD22 LEU 34 1HD2 LEU 34 -3.267 -5.240 3.221 287 HD23 LEU 34 2HD2 LEU 34 -1.988 -5.606 4.381 288 H LYS 35 H LYS 35 0.608 -7.811 4.763 289 HA LYS 35 HA LYS 35 1.318 -10.531 3.851 290 HB2 LYS 35 2HB LYS 35 3.399 -10.422 5.196 291 HB3 LYS 35 3HB LYS 35 3.397 -9.269 3.870 292 HG2 LYS 35 2HG LYS 35 3.172 -7.408 5.320 293 HG3 LYS 35 3HG LYS 35 2.644 -8.415 6.672 294 HD2 LYS 35 2HD LYS 35 4.960 -7.647 7.011 295 HD3 LYS 35 3HD LYS 35 4.897 -9.400 6.849 296 HE2 LYS 35 2HE LYS 35 5.596 -9.145 4.453 297 HE3 LYS 35 3HE LYS 35 5.777 -7.410 4.730 298 HZ1 LYS 35 3HZ LYS 35 7.309 -9.606 6.016 299 HZ2 LYS 35 1HZ LYS 35 7.377 -7.994 6.526 300 HZ3 LYS 35 2HZ LYS 35 7.898 -8.409 4.977 301 H ASP 36 H ASP 36 0.402 -11.990 5.030 302 HA ASP 36 HA ASP 36 0.002 -11.648 7.927 303 HB2 ASP 36 2HB ASP 36 -2.201 -11.294 6.865 304 HB3 ASP 36 3HB ASP 36 -2.013 -12.766 5.923 305 H LYS 37 H LYS 37 -0.221 -13.807 8.973 306 HA LYS 37 HA LYS 37 2.025 -15.430 8.267 307 HB2 LYS 37 2HB LYS 37 -0.087 -15.894 10.421 308 HB3 LYS 37 3HB LYS 37 1.413 -16.795 10.268 309 HG2 LYS 37 2HG LYS 37 1.826 -15.261 12.014 310 HG3 LYS 37 3HG LYS 37 2.632 -14.552 10.615 311 HD2 LYS 37 2HD LYS 37 1.431 -12.831 11.927 312 HD3 LYS 37 3HD LYS 37 0.739 -12.983 10.309 313 HE2 LYS 37 2HE LYS 37 -1.067 -14.444 11.280 314 HE3 LYS 37 3HE LYS 37 -0.402 -14.141 12.885 315 HZ1 LYS 37 3HZ LYS 37 -0.867 -11.795 12.602 316 HZ2 LYS 37 1HZ LYS 37 -2.275 -12.705 12.384 317 HZ3 LYS 37 2HZ LYS 37 -1.472 -12.064 11.043 318 H ASP 38 H ASP 38 -1.376 -15.628 7.597 319 HA ASP 38 HA ASP 38 -1.079 -18.335 6.399 320 HB2 ASP 38 2HB ASP 38 -2.442 -18.509 8.434 321 HB3 ASP 38 3HB ASP 38 -3.475 -17.182 7.908 322 H GLU 39 H GLU 39 -1.189 -18.122 4.261 323 HA GLU 39 HA GLU 39 -1.922 -15.880 2.816 324 HB2 GLU 39 2HB GLU 39 -1.701 -18.760 1.891 325 HB3 GLU 39 3HB GLU 39 -1.991 -17.423 0.782 326 HG2 GLU 39 2HG GLU 39 0.164 -16.384 1.554 327 HG3 GLU 39 3HG GLU 39 0.478 -17.841 2.505 328 H LYS 40 H LYS 40 -4.103 -18.330 4.004 329 HA LYS 40 HA LYS 40 -6.238 -17.866 2.137 330 HB2 LYS 40 2HB LYS 40 -5.793 -19.912 3.776 331 HB3 LYS 40 3HB LYS 40 -6.679 -18.956 4.945 332 HG2 LYS 40 2HG LYS 40 -7.741 -19.938 2.273 333 HG3 LYS 40 3HG LYS 40 -8.081 -20.663 3.839 334 HD2 LYS 40 2HD LYS 40 -9.260 -18.570 4.524 335 HD3 LYS 40 3HD LYS 40 -8.935 -17.885 2.931 336 HE2 LYS 40 2HE LYS 40 -10.250 -19.767 1.916 337 HE3 LYS 40 3HE LYS 40 -10.654 -20.315 3.543 338 HZ1 LYS 40 3HZ LYS 40 -11.696 -18.125 3.920 339 HZ2 LYS 40 1HZ LYS 40 -12.432 -18.992 2.667 340 HZ3 LYS 40 2HZ LYS 40 -11.389 -17.715 2.309 341 H ARG 41 H ARG 41 -5.775 -16.968 5.602 342 HA ARG 41 HA ARG 41 -7.892 -15.115 5.830 343 HB2 ARG 41 2HB ARG 41 -5.250 -15.212 7.348 344 HB3 ARG 41 3HB ARG 41 -6.634 -14.228 7.818 345 HG2 ARG 41 2HG ARG 41 -7.967 -16.302 8.151 346 HG3 ARG 41 3HG ARG 41 -6.542 -17.264 7.741 347 HD2 ARG 41 2HD ARG 41 -6.882 -17.057 10.202 348 HD3 ARG 41 3HD ARG 41 -5.337 -16.382 9.670 349 HE ARG 41 HE ARG 41 -7.377 -14.395 9.748 350 HH11 ARG 41 1HH1 ARG 41 -5.181 -16.135 11.897 351 HH12 ARG 41 2HH1 ARG 41 -5.176 -14.863 13.080 352 HH21 ARG 41 1HH2 ARG 41 -7.309 -12.753 11.262 353 HH22 ARG 41 2HH2 ARG 41 -6.383 -12.949 12.718 354 H LEU 42 H LEU 42 -4.522 -14.715 4.922 355 HA LEU 42 HA LEU 42 -4.188 -12.014 4.592 356 HB2 LEU 42 2HB LEU 42 -2.410 -13.659 4.417 357 HB3 LEU 42 3HB LEU 42 -3.166 -14.400 3.023 358 HG LEU 42 HG LEU 42 -2.573 -12.486 1.617 359 HD11 LEU 42 1HD1 LEU 42 -1.217 -10.641 2.459 360 HD12 LEU 42 2HD1 LEU 42 -1.369 -11.260 4.105 361 HD13 LEU 42 3HD1 LEU 42 -2.796 -10.687 3.236 362 HD21 LEU 42 3HD2 LEU 42 -0.224 -13.469 3.268 363 HD22 LEU 42 1HD2 LEU 42 -0.121 -12.706 1.677 364 HD23 LEU 42 2HD2 LEU 42 -0.918 -14.267 1.852 365 H GLU 43 H GLU 43 -5.509 -14.379 2.277 366 HA GLU 43 HA GLU 43 -5.805 -12.471 0.147 367 HB2 GLU 43 2HB GLU 43 -5.366 -15.001 -0.101 368 HB3 GLU 43 3HB GLU 43 -7.083 -15.230 0.228 369 HG2 GLU 43 2HG GLU 43 -7.583 -13.728 -1.739 370 HG3 GLU 43 3HG GLU 43 -5.853 -13.692 -2.084 371 H GLU 44 H GLU 44 -7.834 -13.632 2.741 372 HA GLU 44 HA GLU 44 -10.357 -12.689 1.781 373 HB2 GLU 44 2HB GLU 44 -9.412 -12.993 4.674 374 HB3 GLU 44 3HB GLU 44 -11.080 -12.815 4.148 375 HG2 GLU 44 2HG GLU 44 -9.269 -15.171 3.594 376 HG3 GLU 44 3HG GLU 44 -10.593 -15.123 4.750 377 H LYS 45 H LYS 45 -7.821 -11.344 3.875 378 HA LYS 45 HA LYS 45 -8.906 -8.857 4.455 379 HB2 LYS 45 2HB LYS 45 -6.956 -9.949 5.628 380 HB3 LYS 45 3HB LYS 45 -5.946 -9.586 4.229 381 HG2 LYS 45 2HG LYS 45 -5.564 -7.921 5.959 382 HG3 LYS 45 3HG LYS 45 -6.365 -7.166 4.576 383 HD2 LYS 45 2HD LYS 45 -8.581 -7.706 5.966 384 HD3 LYS 45 3HD LYS 45 -7.465 -7.758 7.331 385 HE2 LYS 45 2HE LYS 45 -7.898 -5.439 5.441 386 HE3 LYS 45 3HE LYS 45 -8.460 -5.548 7.108 387 HZ1 LYS 45 3HZ LYS 45 -6.529 -4.246 7.152 388 HZ2 LYS 45 1HZ LYS 45 -5.677 -5.300 6.136 389 HZ3 LYS 45 2HZ LYS 45 -6.045 -5.764 7.717 390 H ILE 46 H ILE 46 -6.819 -9.910 1.804 391 HA ILE 46 HA ILE 46 -6.293 -7.558 0.437 392 HB ILE 46 HB ILE 46 -6.733 -10.396 -0.604 393 HG12 ILE 46 2HG1 ILE 46 -4.170 -8.772 -0.236 394 HG13 ILE 46 3HG1 ILE 46 -4.731 -10.040 0.842 395 HG21 ILE 46 1HG2 ILE 46 -5.723 -9.748 -2.768 396 HG22 ILE 46 2HG2 ILE 46 -5.719 -8.059 -2.261 397 HG23 ILE 46 3HG2 ILE 46 -7.250 -8.905 -2.487 398 HD11 ILE 46 3HD1 ILE 46 -2.957 -10.855 -0.556 399 HD12 ILE 46 1HD1 ILE 46 -3.830 -10.386 -2.016 400 HD13 ILE 46 2HD1 ILE 46 -4.458 -11.673 -0.984 401 H GLN 47 H GLN 47 -9.121 -9.738 0.115 402 HA GLN 47 HA GLN 47 -10.424 -8.286 -1.951 403 HB2 GLN 47 2HB GLN 47 -11.632 -10.245 0.049 404 HB3 GLN 47 3HB GLN 47 -12.419 -9.673 -1.419 405 HG2 GLN 47 2HG GLN 47 -9.938 -11.397 -1.242 406 HG3 GLN 47 3HG GLN 47 -11.535 -11.892 -1.792 407 HE21 GLN 47 1HE2 GLN 47 -8.629 -10.163 -2.615 408 HE22 GLN 47 2HE2 GLN 47 -8.955 -9.999 -4.301 409 H LYS 48 H LYS 48 -10.745 -8.198 1.585 410 HA LYS 48 HA LYS 48 -12.998 -6.541 1.850 411 HB2 LYS 48 2HB LYS 48 -10.573 -6.870 3.659 412 HB3 LYS 48 3HB LYS 48 -12.020 -6.002 4.140 413 HG2 LYS 48 2HG LYS 48 -12.194 -8.898 3.283 414 HG3 LYS 48 3HG LYS 48 -11.672 -8.473 4.907 415 HD2 LYS 48 2HD LYS 48 -14.000 -8.928 5.076 416 HD3 LYS 48 3HD LYS 48 -13.844 -7.178 5.169 417 HE2 LYS 48 2HE LYS 48 -15.775 -7.846 3.793 418 HE3 LYS 48 3HE LYS 48 -14.581 -6.983 2.824 419 HZ1 LYS 48 3HZ LYS 48 -15.009 -9.923 2.901 420 HZ2 LYS 48 1HZ LYS 48 -13.781 -9.155 2.029 421 HZ3 LYS 48 2HZ LYS 48 -15.399 -8.877 1.629 422 H LEU 49 H LEU 49 -9.571 -5.731 1.557 423 HA LEU 49 HA LEU 49 -9.873 -2.899 1.822 424 HB2 LEU 49 2HB LEU 49 -7.642 -4.608 0.700 425 HB3 LEU 49 3HB LEU 49 -7.498 -2.887 1.011 426 HG LEU 49 HG LEU 49 -8.064 -4.952 3.169 427 HD11 LEU 49 1HD1 LEU 49 -5.884 -5.365 2.147 428 HD12 LEU 49 2HD1 LEU 49 -5.715 -4.761 3.792 429 HD13 LEU 49 3HD1 LEU 49 -5.415 -3.684 2.422 430 HD21 LEU 49 3HD2 LEU 49 -7.442 -3.151 4.736 431 HD22 LEU 49 1HD2 LEU 49 -8.842 -2.702 3.762 432 HD23 LEU 49 2HD2 LEU 49 -7.254 -2.028 3.388 433 H LYS 50 H LYS 50 -9.721 -5.144 -0.959 434 HA LYS 50 HA LYS 50 -9.584 -3.182 -3.009 435 HB2 LYS 50 2HB LYS 50 -10.574 -6.059 -3.089 436 HB3 LYS 50 3HB LYS 50 -10.407 -5.045 -4.521 437 HG2 LYS 50 2HG LYS 50 -7.971 -4.815 -4.062 438 HG3 LYS 50 3HG LYS 50 -8.152 -5.872 -2.661 439 HD2 LYS 50 2HD LYS 50 -7.284 -7.149 -4.559 440 HD3 LYS 50 3HD LYS 50 -8.907 -7.712 -4.157 441 HE2 LYS 50 2HE LYS 50 -9.819 -6.337 -6.016 442 HE3 LYS 50 3HE LYS 50 -8.182 -5.821 -6.423 443 HZ1 LYS 50 3HZ LYS 50 -9.150 -8.631 -6.488 444 HZ2 LYS 50 1HZ LYS 50 -7.610 -8.090 -6.928 445 HZ3 LYS 50 2HZ LYS 50 -8.958 -7.623 -7.835 446 H SER 51 H SER 51 -12.311 -4.477 -1.183 447 HA SER 51 HA SER 51 -14.442 -3.378 -2.649 448 HB2 SER 51 2HB SER 51 -14.730 -4.906 -0.709 449 HB3 SER 51 3HB SER 51 -14.215 -3.620 0.383 450 HG SER 51 HG SER 51 -16.155 -2.792 0.272 451 H GLN 52 H GLN 52 -12.102 -1.836 -0.525 452 HA GLN 52 HA GLN 52 -13.379 0.811 -0.730 453 HB2 GLN 52 2HB GLN 52 -10.855 -0.072 0.732 454 HB3 GLN 52 3HB GLN 52 -11.563 1.539 0.807 455 HG2 GLN 52 2HG GLN 52 -13.594 0.585 1.849 456 HG3 GLN 52 3HG GLN 52 -12.846 -1.015 1.810 457 HE21 GLN 52 1HE2 GLN 52 -11.075 -1.430 3.201 458 HE22 GLN 52 2HE2 GLN 52 -10.740 -0.428 4.564 459 H GLY 53 H GLY 53 -11.890 -0.819 -2.949 460 HA2 GLY 53 2HA GLY 53 -11.128 -0.081 -4.986 461 HA3 GLY 53 3HA GLY 53 -10.988 1.540 -4.335 462 H PHE 54 H PHE 54 -9.275 -0.379 -2.224 463 HA PHE 54 HA PHE 54 -6.728 0.551 -3.089 464 HB2 PHE 54 2HB PHE 54 -7.347 -1.697 -1.113 465 HB3 PHE 54 3HB PHE 54 -5.801 -0.872 -1.275 466 HD1 PHE 54 HD2 PHE 54 -6.614 1.990 -1.348 467 HD2 PHE 54 HD1 PHE 54 -8.087 -1.207 1.071 468 HE1 PHE 54 HE2 PHE 54 -7.294 3.592 0.390 469 HE2 PHE 54 HE1 PHE 54 -8.755 0.401 2.798 470 HZ PHE 54 HZ PHE 54 -8.363 2.803 2.457 471 H GLU 55 H GLU 55 -5.352 -0.353 -4.595 472 HA GLU 55 HA GLU 55 -5.950 -2.978 -5.713 473 HB2 GLU 55 2HB GLU 55 -5.240 -1.124 -7.222 474 HB3 GLU 55 3HB GLU 55 -3.674 -1.075 -6.416 475 HG2 GLU 55 2HG GLU 55 -3.603 -2.307 -8.576 476 HG3 GLU 55 3HG GLU 55 -3.133 -3.311 -7.207 477 H VAL 56 H VAL 56 -5.566 -4.433 -4.149 478 HA VAL 56 HA VAL 56 -3.144 -4.312 -2.500 479 HB VAL 56 HB VAL 56 -5.483 -6.248 -2.204 480 HG11 VAL 56 1HG1 VAL 56 -4.715 -6.420 0.145 481 HG12 VAL 56 2HG1 VAL 56 -3.380 -5.322 -0.211 482 HG13 VAL 56 3HG1 VAL 56 -3.448 -6.906 -0.985 483 HG21 VAL 56 3HG2 VAL 56 -6.439 -4.719 -0.554 484 HG22 VAL 56 1HG2 VAL 56 -6.341 -3.938 -2.131 485 HG23 VAL 56 2HG2 VAL 56 -5.170 -3.538 -0.872 486 H ARG 57 H ARG 57 -1.593 -5.866 -2.522 487 HA ARG 57 HA ARG 57 -1.830 -8.148 -4.366 488 HB2 ARG 57 2HB ARG 57 0.019 -5.912 -4.600 489 HB3 ARG 57 3HB ARG 57 0.959 -7.338 -4.190 490 HG2 ARG 57 2HG ARG 57 0.866 -7.086 -6.599 491 HG3 ARG 57 3HG ARG 57 -0.018 -8.538 -6.127 492 HD2 ARG 57 2HD ARG 57 -2.157 -7.225 -6.318 493 HD3 ARG 57 3HD ARG 57 -1.217 -5.857 -6.930 494 HE ARG 57 HE ARG 57 -0.525 -7.913 -8.577 495 HH11 ARG 57 1HH1 ARG 57 -3.623 -6.492 -7.695 496 HH12 ARG 57 2HH1 ARG 57 -4.363 -6.908 -9.205 497 HH21 ARG 57 1HH2 ARG 57 -1.535 -8.489 -10.511 498 HH22 ARG 57 2HH2 ARG 57 -3.185 -8.037 -10.799 499 H LYS 58 H LYS 58 -0.850 -10.003 -3.723 500 HA LYS 58 HA LYS 58 -0.212 -10.370 -0.902 501 HB2 LYS 58 2HB LYS 58 -1.716 -11.961 -2.112 502 HB3 LYS 58 3HB LYS 58 -0.407 -12.361 -3.219 503 HG2 LYS 58 2HG LYS 58 0.890 -13.323 -1.368 504 HG3 LYS 58 3HG LYS 58 -0.372 -12.869 -0.225 505 HD2 LYS 58 2HD LYS 58 -0.695 -14.841 -2.517 506 HD3 LYS 58 3HD LYS 58 -0.478 -15.273 -0.824 507 HE2 LYS 58 2HE LYS 58 -2.634 -14.223 -0.261 508 HE3 LYS 58 3HE LYS 58 -2.843 -13.720 -1.942 509 HZ1 LYS 58 3HZ LYS 58 -2.701 -16.531 -0.971 510 HZ2 LYS 58 1HZ LYS 58 -2.875 -16.064 -2.588 511 HZ3 LYS 58 2HZ LYS 58 -4.099 -15.724 -1.473 512 H VAL 59 H VAL 59 1.861 -10.237 -0.243 513 HA VAL 59 HA VAL 59 4.104 -10.647 -2.153 514 HB VAL 59 HB VAL 59 5.418 -9.013 -0.700 515 HG11 VAL 59 1HG1 VAL 59 3.020 -7.837 -2.158 516 HG12 VAL 59 2HG1 VAL 59 4.537 -8.347 -2.902 517 HG13 VAL 59 3HG1 VAL 59 4.522 -6.992 -1.774 518 HG21 VAL 59 3HG2 VAL 59 2.664 -8.335 0.424 519 HG22 VAL 59 1HG2 VAL 59 4.140 -7.409 0.712 520 HG23 VAL 59 2HG2 VAL 59 4.004 -9.061 1.315 521 H LYS 60 H LYS 60 5.972 -11.607 -1.311 522 HA LYS 60 HA LYS 60 5.396 -13.725 0.542 523 HB2 LYS 60 2HB LYS 60 8.036 -13.005 -0.802 524 HB3 LYS 60 3HB LYS 60 7.677 -14.520 0.016 525 HG2 LYS 60 2HG LYS 60 6.350 -13.509 -2.524 526 HG3 LYS 60 3HG LYS 60 7.563 -14.782 -2.426 527 HD2 LYS 60 2HD LYS 60 4.732 -14.885 -1.307 528 HD3 LYS 60 3HD LYS 60 5.343 -15.761 -2.710 529 HE2 LYS 60 2HE LYS 60 6.166 -16.190 0.185 530 HE3 LYS 60 3HE LYS 60 5.194 -17.275 -0.805 531 HZ1 LYS 60 3HZ LYS 60 7.092 -17.646 -2.226 532 HZ2 LYS 60 1HZ LYS 60 7.478 -18.013 -0.625 533 HZ3 LYS 60 2HZ LYS 60 8.032 -16.572 -1.315 534 H ASP 61 H ASP 61 7.966 -11.220 0.547 535 HA ASP 61 HA ASP 61 7.500 -10.403 3.248 536 HB2 ASP 61 2HB ASP 61 8.819 -12.674 3.466 537 HB3 ASP 61 3HB ASP 61 10.211 -11.763 2.899 538 H ASP 62 H ASP 62 10.131 -9.209 3.727 539 HA ASP 62 HA ASP 62 9.735 -6.812 2.228 540 HB2 ASP 62 2HB ASP 62 11.988 -7.650 4.115 541 HB3 ASP 62 3HB ASP 62 11.863 -6.039 3.409 542 H ASP 63 H ASP 63 11.851 -9.511 1.838 543 HA ASP 63 HA ASP 63 13.638 -8.699 -0.143 544 HB2 ASP 63 2HB ASP 63 13.753 -10.941 0.853 545 HB3 ASP 63 3HB ASP 63 12.167 -11.355 0.214 546 H ASP 64 H ASP 64 10.378 -10.071 -0.536 547 HA ASP 64 HA ASP 64 10.244 -9.760 -3.379 548 HB2 ASP 64 2HB ASP 64 9.081 -11.577 -2.094 549 HB3 ASP 64 3HB ASP 64 8.022 -10.372 -1.376 550 H ILE 65 H ILE 65 9.293 -7.870 -0.610 551 HA ILE 65 HA ILE 65 7.401 -6.103 -1.801 552 HB ILE 65 HB ILE 65 9.027 -6.002 0.763 553 HG12 ILE 65 2HG1 ILE 65 6.017 -6.248 0.324 554 HG13 ILE 65 3HG1 ILE 65 7.100 -7.610 0.582 555 HG21 ILE 65 1HG2 ILE 65 7.758 -4.007 1.494 556 HG22 ILE 65 2HG2 ILE 65 7.058 -3.863 -0.117 557 HG23 ILE 65 3HG2 ILE 65 8.796 -3.658 0.111 558 HD11 ILE 65 3HD1 ILE 65 5.900 -7.047 2.595 559 HD12 ILE 65 1HD1 ILE 65 6.542 -5.406 2.557 560 HD13 ILE 65 2HD1 ILE 65 7.628 -6.775 2.808 561 H ASP 66 H ASP 66 10.852 -5.585 -0.873 562 HA ASP 66 HA ASP 66 11.137 -3.012 -1.911 563 HB2 ASP 66 2HB ASP 66 12.725 -4.144 -0.339 564 HB3 ASP 66 3HB ASP 66 13.296 -5.160 -1.654 565 H LYS 67 H LYS 67 11.422 -6.147 -3.448 566 HA LYS 67 HA LYS 67 12.330 -5.193 -6.029 567 HB2 LYS 67 2HB LYS 67 11.155 -7.870 -5.196 568 HB3 LYS 67 3HB LYS 67 11.784 -7.522 -6.806 569 HG2 LYS 67 2HG LYS 67 14.027 -7.098 -5.810 570 HG3 LYS 67 3HG LYS 67 13.382 -7.542 -4.226 571 HD2 LYS 67 2HD LYS 67 13.574 -9.346 -6.670 572 HD3 LYS 67 3HD LYS 67 14.563 -9.450 -5.214 573 HE2 LYS 67 2HE LYS 67 12.471 -9.929 -3.905 574 HE3 LYS 67 3HE LYS 67 11.579 -9.978 -5.427 575 HZ1 LYS 67 3HZ LYS 67 12.103 -12.184 -4.916 576 HZ2 LYS 67 1HZ LYS 67 13.698 -11.810 -4.489 577 HZ3 LYS 67 2HZ LYS 67 13.218 -11.750 -6.107 578 H TRP 68 H TRP 68 9.269 -5.687 -4.446 579 HA TRP 68 HA TRP 68 7.617 -5.654 -6.763 580 HB2 TRP 68 2HB TRP 68 6.985 -6.501 -4.391 581 HB3 TRP 68 3HB TRP 68 6.676 -4.816 -3.984 582 HD1 TRP 68 HD1 TRP 68 5.235 -7.760 -5.908 583 HE1 TRP 68 HE1 TRP 68 2.884 -7.153 -6.761 584 HE3 TRP 68 HE3 TRP 68 5.186 -2.766 -4.753 585 HZ2 TRP 68 HZ2 TRP 68 1.224 -4.894 -6.911 586 HZ3 TRP 68 HZ3 TRP 68 3.166 -1.461 -5.279 587 HH2 TRP 68 HH2 TRP 68 1.235 -2.510 -6.335 588 H ILE 69 H ILE 69 8.753 -3.097 -4.525 589 HA ILE 69 HA ILE 69 7.358 -0.962 -5.857 590 HB ILE 69 HB ILE 69 9.665 -1.014 -3.865 591 HG12 ILE 69 2HG1 ILE 69 8.014 0.376 -2.489 592 HG13 ILE 69 3HG1 ILE 69 6.816 0.087 -3.741 593 HG21 ILE 69 1HG2 ILE 69 8.618 1.502 -5.210 594 HG22 ILE 69 2HG2 ILE 69 10.247 0.838 -5.358 595 HG23 ILE 69 3HG2 ILE 69 9.691 1.472 -3.808 596 HD11 ILE 69 3HD1 ILE 69 6.523 -1.349 -1.800 597 HD12 ILE 69 1HD1 ILE 69 8.134 -2.023 -2.037 598 HD13 ILE 69 2HD1 ILE 69 6.875 -2.297 -3.245 599 H ASP 70 H ASP 70 10.516 -2.515 -6.173 600 HA ASP 70 HA ASP 70 11.778 -0.851 -8.032 601 HB2 ASP 70 2HB ASP 70 13.019 -2.615 -6.895 602 HB3 ASP 70 3HB ASP 70 12.004 -3.861 -7.607 603 H LYS 71 H LYS 71 9.667 -3.705 -8.623 604 HA LYS 71 HA LYS 71 9.871 -3.597 -11.450 605 HB2 LYS 71 2HB LYS 71 8.161 -5.284 -11.561 606 HB3 LYS 71 3HB LYS 71 9.181 -5.659 -10.181 607 HG2 LYS 71 2HG LYS 71 7.441 -4.682 -8.679 608 HG3 LYS 71 3HG LYS 71 6.415 -4.413 -10.084 609 HD2 LYS 71 2HD LYS 71 5.707 -6.443 -8.926 610 HD3 LYS 71 3HD LYS 71 6.375 -6.875 -10.500 611 HE2 LYS 71 2HE LYS 71 8.492 -7.531 -9.422 612 HE3 LYS 71 3HE LYS 71 7.846 -7.063 -7.849 613 HZ1 LYS 71 3HZ LYS 71 6.185 -8.791 -8.034 614 HZ2 LYS 71 1HZ LYS 71 7.728 -9.457 -8.232 615 HZ3 LYS 71 2HZ LYS 71 6.734 -9.213 -9.578 616 H ILE 72 H ILE 72 7.687 -2.068 -9.147 617 HA ILE 72 HA ILE 72 5.694 -1.195 -10.992 618 HB ILE 72 HB ILE 72 6.426 -0.394 -8.152 619 HG12 ILE 72 2HG1 ILE 72 5.359 -2.601 -8.460 620 HG13 ILE 72 3HG1 ILE 72 4.307 -1.511 -7.575 621 HG21 ILE 72 1HG2 ILE 72 4.119 0.767 -9.748 622 HG22 ILE 72 2HG2 ILE 72 5.517 1.647 -9.123 623 HG23 ILE 72 3HG2 ILE 72 4.351 0.942 -8.007 624 HD11 ILE 72 3HD1 ILE 72 3.055 -2.845 -9.128 625 HD12 ILE 72 1HD1 ILE 72 4.037 -2.274 -10.475 626 HD13 ILE 72 2HD1 ILE 72 2.985 -1.152 -9.606 627 H LYS 73 H LYS 73 8.605 0.396 -9.644 628 HA LYS 73 HA LYS 73 8.312 2.881 -11.030 629 HB2 LYS 73 2HB LYS 73 10.848 1.514 -10.025 630 HB3 LYS 73 3HB LYS 73 10.747 3.191 -10.552 631 HG2 LYS 73 2HG LYS 73 9.208 3.690 -8.687 632 HG3 LYS 73 3HG LYS 73 9.306 2.011 -8.150 633 HD2 LYS 73 2HD LYS 73 11.636 3.969 -8.286 634 HD3 LYS 73 3HD LYS 73 10.786 3.491 -6.817 635 HE2 LYS 73 2HE LYS 73 11.585 1.205 -7.025 636 HE3 LYS 73 3HE LYS 73 12.282 1.542 -8.611 637 HZ1 LYS 73 3HZ LYS 73 13.170 2.717 -6.028 638 HZ2 LYS 73 1HZ LYS 73 13.813 3.102 -7.542 639 HZ3 LYS 73 2HZ LYS 73 13.987 1.540 -6.925 640 H LYS 74 H LYS 74 9.479 -0.284 -11.924 641 HA LYS 74 HA LYS 74 10.875 0.512 -14.329 642 HB2 LYS 74 2HB LYS 74 11.466 -1.410 -12.766 643 HB3 LYS 74 3HB LYS 74 10.057 -2.266 -13.372 644 HG2 LYS 74 2HG LYS 74 11.054 -2.278 -15.631 645 HG3 LYS 74 3HG LYS 74 12.470 -1.424 -15.012 646 HD2 LYS 74 2HD LYS 74 11.547 -4.231 -14.282 647 HD3 LYS 74 3HD LYS 74 13.008 -3.795 -15.163 648 HE2 LYS 74 2HE LYS 74 13.960 -2.771 -13.153 649 HE3 LYS 74 3HE LYS 74 12.461 -3.055 -12.265 650 HZ1 LYS 74 3HZ LYS 74 13.972 -4.742 -11.655 651 HZ2 LYS 74 1HZ LYS 74 14.373 -5.089 -13.262 652 HZ3 LYS 74 2HZ LYS 74 12.838 -5.472 -12.673 653 H GLU 75 H GLU 75 7.642 -0.506 -13.446 654 HA GLU 75 HA GLU 75 6.674 -0.934 -16.139 655 HB2 GLU 75 2HB GLU 75 5.113 -0.352 -13.572 656 HB3 GLU 75 3HB GLU 75 4.404 -0.861 -15.097 657 HG2 GLU 75 2HG GLU 75 6.268 -2.504 -13.374 658 HG3 GLU 75 3HG GLU 75 4.524 -2.705 -13.487 659 H ARG 76 H ARG 76 6.476 1.646 -13.703 660 HA ARG 76 HA ARG 76 5.942 3.675 -15.778 661 HB2 ARG 76 2HB ARG 76 4.528 3.643 -13.076 662 HB3 ARG 76 3HB ARG 76 4.233 4.733 -14.422 663 HG2 ARG 76 2HG ARG 76 3.265 2.876 -15.726 664 HG3 ARG 76 3HG ARG 76 3.613 1.762 -14.404 665 HD2 ARG 76 2HD ARG 76 2.142 3.378 -12.968 666 HD3 ARG 76 3HD ARG 76 1.559 3.972 -14.524 667 HE ARG 76 HE ARG 76 1.006 1.499 -14.946 668 HH11 ARG 76 1HH1 ARG 76 0.864 3.002 -11.767 669 HH12 ARG 76 2HH1 ARG 76 -0.358 1.920 -11.169 670 HH21 ARG 76 1HH2 ARG 76 -0.610 0.107 -14.163 671 HH22 ARG 76 2HH2 ARG 76 -1.184 0.282 -12.532 672 HA PRO 77 HA PRO 77 9.214 5.438 -13.006 673 HB2 PRO 77 2HB PRO 77 10.964 6.238 -14.883 674 HB3 PRO 77 3HB PRO 77 10.800 4.509 -14.504 675 HG2 PRO 77 2HG PRO 77 9.658 6.037 -16.820 676 HG3 PRO 77 3HG PRO 77 10.418 4.431 -16.802 677 HD2 PRO 77 2HD PRO 77 7.653 4.886 -16.753 678 HD3 PRO 77 3HD PRO 77 8.445 3.379 -16.239 679 H GLN 78 H GLN 78 6.717 6.596 -14.616 680 HA GLN 78 HA GLN 78 7.559 9.404 -14.982 681 HB2 GLN 78 2HB GLN 78 5.078 7.975 -16.029 682 HB3 GLN 78 3HB GLN 78 5.607 9.598 -16.466 683 HG2 GLN 78 2HG GLN 78 7.596 8.673 -17.572 684 HG3 GLN 78 3HG GLN 78 7.126 7.044 -17.080 685 HE21 GLN 78 1HE2 GLN 78 5.356 6.053 -18.109 686 HE22 GLN 78 2HE2 GLN 78 4.740 6.617 -19.619 687 H LEU 79 H LEU 79 6.399 7.699 -12.508 688 HA LEU 79 HA LEU 79 4.728 9.894 -11.503 689 HB2 LEU 79 2HB LEU 79 3.268 8.119 -10.341 690 HB3 LEU 79 3HB LEU 79 2.989 8.502 -12.022 691 HG LEU 79 HG LEU 79 4.103 6.391 -12.706 692 HD11 LEU 79 1HD1 LEU 79 4.265 5.734 -9.755 693 HD12 LEU 79 2HD1 LEU 79 5.631 6.033 -10.833 694 HD13 LEU 79 3HD1 LEU 79 4.600 4.627 -11.089 695 HD21 LEU 79 3HD2 LEU 79 1.812 6.065 -10.742 696 HD22 LEU 79 1HD2 LEU 79 2.283 4.881 -11.966 697 HD23 LEU 79 2HD2 LEU 79 1.681 6.462 -12.457 698 H GLU 80 H GLU 80 4.437 9.907 -9.188 699 HA GLU 80 HA GLU 80 6.835 9.488 -7.690 700 HB2 GLU 80 2HB GLU 80 3.997 10.136 -6.801 701 HB3 GLU 80 3HB GLU 80 5.425 10.300 -5.799 702 HG2 GLU 80 2HG GLU 80 5.134 11.864 -8.366 703 HG3 GLU 80 3HG GLU 80 4.384 12.410 -6.871 704 H VAL 81 H VAL 81 7.372 7.665 -6.544 705 HA VAL 81 HA VAL 81 5.281 5.689 -5.772 706 HB VAL 81 HB VAL 81 8.160 4.956 -6.542 707 HG11 VAL 81 1HG1 VAL 81 5.760 3.171 -5.945 708 HG12 VAL 81 2HG1 VAL 81 7.134 3.443 -4.871 709 HG13 VAL 81 3HG1 VAL 81 7.373 2.621 -6.412 710 HG21 VAL 81 3HG2 VAL 81 7.247 3.930 -8.593 711 HG22 VAL 81 1HG2 VAL 81 6.929 5.666 -8.558 712 HG23 VAL 81 2HG2 VAL 81 5.634 4.526 -8.188 713 H ARG 82 H ARG 82 5.064 6.061 -3.638 714 HA ARG 82 HA ARG 82 7.473 6.410 -1.942 715 HB2 ARG 82 2HB ARG 82 5.824 8.270 -1.837 716 HB3 ARG 82 3HB ARG 82 4.565 7.132 -1.386 717 HG2 ARG 82 2HG ARG 82 5.249 8.250 0.600 718 HG3 ARG 82 3HG ARG 82 5.873 6.607 0.698 719 HD2 ARG 82 2HD ARG 82 7.577 8.088 1.489 720 HD3 ARG 82 3HD ARG 82 8.100 7.510 -0.096 721 HE ARG 82 HE ARG 82 6.707 9.935 -0.442 722 HH11 ARG 82 1HH1 ARG 82 9.714 8.819 0.994 723 HH12 ARG 82 2HH1 ARG 82 10.536 10.326 0.749 724 HH21 ARG 82 1HH2 ARG 82 7.792 11.938 -0.735 725 HH22 ARG 82 2HH2 ARG 82 9.447 12.098 -0.231 726 H LYS 83 H LYS 83 8.050 4.345 -1.411 727 HA LYS 83 HA LYS 83 6.239 2.319 -0.517 728 HB2 LYS 83 2HB LYS 83 8.487 1.774 -1.406 729 HB3 LYS 83 3HB LYS 83 9.246 2.625 -0.063 730 HG2 LYS 83 2HG LYS 83 8.350 0.981 1.526 731 HG3 LYS 83 3HG LYS 83 7.471 0.175 0.224 732 HD2 LYS 83 2HD LYS 83 9.463 -1.119 0.727 733 HD3 LYS 83 3HD LYS 83 9.659 -0.382 -0.864 734 HE2 LYS 83 2HE LYS 83 11.078 1.381 0.134 735 HE3 LYS 83 3HE LYS 83 10.870 0.645 1.726 736 HZ1 LYS 83 3HZ LYS 83 12.947 -0.045 0.824 737 HZ2 LYS 83 1HZ LYS 83 12.233 -0.568 -0.621 738 HZ3 LYS 83 2HZ LYS 83 11.915 -1.380 0.826 739 H VAL 84 H VAL 84 5.202 2.340 1.341 740 HA VAL 84 HA VAL 84 6.145 3.902 3.676 741 HB VAL 84 HB VAL 84 3.299 3.317 2.712 742 HG11 VAL 84 1HG1 VAL 84 4.131 4.740 5.267 743 HG12 VAL 84 2HG1 VAL 84 3.345 3.162 5.163 744 HG13 VAL 84 3HG1 VAL 84 2.488 4.608 4.640 745 HG21 VAL 84 3HG2 VAL 84 3.094 5.771 2.504 746 HG22 VAL 84 1HG2 VAL 84 4.400 5.148 1.490 747 HG23 VAL 84 2HG2 VAL 84 4.774 5.964 3.011 748 H THR 85 H THR 85 7.283 2.200 4.562 749 HA THR 85 HA THR 85 6.293 -0.425 5.009 750 HB THR 85 HB THR 85 8.269 -0.608 6.558 751 HG1 THR 85 HG1 THR 85 9.431 1.143 7.078 752 HG21 THR 85 3HG2 THR 85 10.023 -0.280 4.864 753 HG22 THR 85 1HG2 THR 85 8.938 0.735 3.905 754 HG23 THR 85 2HG2 THR 85 8.589 -0.981 4.114 755 H ASP 86 H ASP 86 6.458 2.495 7.013 756 HA ASP 86 HA ASP 86 4.919 1.192 9.192 757 HB2 ASP 86 2HB ASP 86 7.320 1.899 9.689 758 HB3 ASP 86 3HB ASP 86 6.827 3.568 9.430 759 H GLU 87 H GLU 87 3.323 2.443 10.261 760 HA GLU 87 HA GLU 87 1.542 3.887 8.685 761 HB2 GLU 87 2HB GLU 87 0.303 4.345 10.753 762 HB3 GLU 87 3HB GLU 87 0.905 2.688 10.759 763 HG2 GLU 87 2HG GLU 87 2.710 3.291 12.276 764 HG3 GLU 87 3HG GLU 87 2.262 4.995 12.178 765 H ASP 88 H ASP 88 4.116 5.088 10.784 766 HA ASP 88 HA ASP 88 3.419 7.763 11.152 767 HB2 ASP 88 2HB ASP 88 5.268 6.526 12.303 768 HB3 ASP 88 3HB ASP 88 6.210 6.557 10.820 769 H GLN 89 H GLN 89 5.001 6.165 8.482 770 HA GLN 89 HA GLN 89 5.677 8.503 6.970 771 HB2 GLN 89 2HB GLN 89 5.503 5.580 6.110 772 HB3 GLN 89 3HB GLN 89 6.300 6.874 5.214 773 HG2 GLN 89 2HG GLN 89 7.973 7.138 6.937 774 HG3 GLN 89 3HG GLN 89 7.115 6.042 8.014 775 HE21 GLN 89 1HE2 GLN 89 6.568 4.047 5.952 776 HE22 GLN 89 2HE2 GLN 89 8.085 3.267 5.667 777 H ALA 90 H ALA 90 2.922 6.235 7.040 778 HA ALA 90 HA ALA 90 1.571 7.302 4.754 779 HB1 ALA 90 3HB ALA 90 -0.405 6.060 5.558 780 HB2 ALA 90 1HB ALA 90 0.422 5.738 7.086 781 HB3 ALA 90 2HB ALA 90 1.043 5.058 5.585 782 H LYS 91 H LYS 91 1.727 8.205 8.093 783 HA LYS 91 HA LYS 91 -0.393 10.149 8.060 784 HB2 LYS 91 2HB LYS 91 1.899 9.694 10.007 785 HB3 LYS 91 3HB LYS 91 0.575 10.829 10.274 786 HG2 LYS 91 2HG LYS 91 -1.051 9.020 10.337 787 HG3 LYS 91 3HG LYS 91 0.180 7.845 9.870 788 HD2 LYS 91 2HD LYS 91 -0.271 7.670 12.267 789 HD3 LYS 91 3HD LYS 91 1.374 8.254 12.009 790 HE2 LYS 91 2HE LYS 91 0.611 10.567 12.476 791 HE3 LYS 91 3HE LYS 91 -1.028 9.965 12.739 792 HZ1 LYS 91 3HZ LYS 91 0.219 10.301 14.809 793 HZ2 LYS 91 1HZ LYS 91 1.338 9.123 14.328 794 HZ3 LYS 91 2HZ LYS 91 -0.276 8.700 14.609 795 H GLN 92 H GLN 92 3.081 10.182 7.440 796 HA GLN 92 HA GLN 92 3.365 13.054 7.478 797 HB2 GLN 92 2HB GLN 92 5.237 11.545 8.099 798 HB3 GLN 92 3HB GLN 92 5.256 10.876 6.473 799 HG2 GLN 92 2HG GLN 92 7.098 12.478 6.836 800 HG3 GLN 92 3HG GLN 92 6.010 13.026 5.561 801 HE21 GLN 92 1HE2 GLN 92 4.790 14.904 5.903 802 HE22 GLN 92 2HE2 GLN 92 5.056 15.971 7.236 803 H ILE 93 H ILE 93 2.993 10.542 4.948 804 HA ILE 93 HA ILE 93 3.450 12.218 2.762 805 HB ILE 93 HB ILE 93 2.333 10.553 1.319 806 HG12 ILE 93 2HG1 ILE 93 1.615 9.205 3.953 807 HG13 ILE 93 3HG1 ILE 93 0.492 9.870 2.776 808 HG21 ILE 93 1HG2 ILE 93 4.686 10.257 1.892 809 HG22 ILE 93 2HG2 ILE 93 3.894 8.686 1.788 810 HG23 ILE 93 3HG2 ILE 93 4.248 9.387 3.365 811 HD11 ILE 93 3HD1 ILE 93 2.256 7.460 2.407 812 HD12 ILE 93 1HD1 ILE 93 1.200 8.148 1.170 813 HD13 ILE 93 2HD1 ILE 93 0.511 7.485 2.650 814 H LEU 94 H LEU 94 0.457 11.761 4.579 815 HA LEU 94 HA LEU 94 -1.464 13.016 3.134 816 HB2 LEU 94 2HB LEU 94 -0.723 13.628 6.019 817 HB3 LEU 94 3HB LEU 94 -2.227 14.159 5.282 818 HG LEU 94 HG LEU 94 -1.418 11.239 5.628 819 HD11 LEU 94 1HD1 LEU 94 -3.089 11.144 7.432 820 HD12 LEU 94 2HD1 LEU 94 -3.366 12.882 7.279 821 HD13 LEU 94 3HD1 LEU 94 -1.793 12.279 7.807 822 HD21 LEU 94 3HD2 LEU 94 -2.925 11.558 3.720 823 HD22 LEU 94 1HD2 LEU 94 -4.060 12.459 4.730 824 HD23 LEU 94 2HD2 LEU 94 -3.773 10.743 5.031 825 H GLU 95 H GLU 95 1.344 14.567 4.532 826 HA GLU 95 HA GLU 95 0.727 17.247 3.529 827 HB2 GLU 95 2HB GLU 95 3.199 16.206 4.999 828 HB3 GLU 95 3HB GLU 95 2.826 17.898 4.667 829 HG2 GLU 95 2HG GLU 95 0.789 17.725 6.091 830 HG3 GLU 95 3HG GLU 95 1.194 16.045 6.438 831 H ASP 96 H ASP 96 3.122 14.664 2.914 832 HA ASP 96 HA ASP 96 4.749 15.746 0.936 833 HB2 ASP 96 2HB ASP 96 5.106 13.506 1.857 834 HB3 ASP 96 3HB ASP 96 3.640 12.918 1.092 835 H LEU 97 H LEU 97 1.520 14.443 0.460 836 HA LEU 97 HA LEU 97 1.248 14.600 -2.348 837 HB2 LEU 97 2HB LEU 97 -0.659 14.535 0.007 838 HB3 LEU 97 3HB LEU 97 -1.307 14.823 -1.592 839 HG LEU 97 HG LEU 97 -0.719 12.613 -2.352 840 HD11 LEU 97 1HD1 LEU 97 1.516 12.421 -1.243 841 HD12 LEU 97 2HD1 LEU 97 0.537 10.961 -1.183 842 HD13 LEU 97 3HD1 LEU 97 0.684 11.979 0.247 843 HD21 LEU 97 3HD2 LEU 97 -1.981 11.178 -0.825 844 HD22 LEU 97 1HD2 LEU 97 -2.750 12.753 -0.994 845 HD23 LEU 97 2HD2 LEU 97 -1.825 12.381 0.460 846 H LYS 98 H LYS 98 1.053 16.938 0.142 847 HA LYS 98 HA LYS 98 -0.229 19.059 -1.437 848 HB2 LYS 98 2HB LYS 98 0.763 19.164 1.442 849 HB3 LYS 98 3HB LYS 98 -0.197 20.399 0.644 850 HG2 LYS 98 2HG LYS 98 -1.212 17.574 1.076 851 HG3 LYS 98 3HG LYS 98 -1.411 18.847 2.272 852 HD2 LYS 98 2HD LYS 98 -3.471 18.817 1.121 853 HD3 LYS 98 3HD LYS 98 -2.615 20.183 0.411 854 HE2 LYS 98 2HE LYS 98 -3.745 18.909 -1.337 855 HE3 LYS 98 3HE LYS 98 -2.000 18.743 -1.523 856 HZ1 LYS 98 3HZ LYS 98 -3.877 16.737 -0.385 857 HZ2 LYS 98 1HZ LYS 98 -2.191 16.572 -0.370 858 HZ3 LYS 98 2HZ LYS 98 -3.024 16.624 -1.837 859 H LYS 99 H LYS 99 2.953 18.250 -0.150 860 HA LYS 99 HA LYS 99 4.235 20.752 -0.412 861 HB2 LYS 99 2HB LYS 99 5.589 18.034 -0.659 862 HB3 LYS 99 3HB LYS 99 6.369 19.559 -0.255 863 HG2 LYS 99 2HG LYS 99 4.368 18.053 1.445 864 HG3 LYS 99 3HG LYS 99 6.096 18.173 1.738 865 HD2 LYS 99 2HD LYS 99 4.167 20.530 1.796 866 HD3 LYS 99 3HD LYS 99 4.696 19.641 3.222 867 HE2 LYS 99 2HE LYS 99 6.476 21.246 1.358 868 HE3 LYS 99 3HE LYS 99 5.971 21.716 2.978 869 HZ1 LYS 99 3HZ LYS 99 7.164 19.767 3.834 870 HZ2 LYS 99 1HZ LYS 99 8.183 20.853 3.036 871 HZ3 LYS 99 2HZ LYS 99 7.711 19.421 2.271 872 H LYS 100 H LYS 100 3.676 18.201 -2.745 873 HA LYS 100 HA LYS 100 4.470 20.059 -4.919 874 HB2 LYS 100 2HB LYS 100 4.427 17.000 -4.973 875 HB3 LYS 100 3HB LYS 100 4.611 18.009 -6.398 876 HG2 LYS 100 2HG LYS 100 6.799 17.310 -5.917 877 HG3 LYS 100 3HG LYS 100 6.732 18.948 -5.271 878 HD2 LYS 100 2HD LYS 100 7.905 17.491 -3.709 879 HD3 LYS 100 3HD LYS 100 6.378 18.005 -2.990 880 HE2 LYS 100 2HE LYS 100 5.367 15.833 -3.531 881 HE3 LYS 100 3HE LYS 100 6.854 15.322 -4.342 882 HZ1 LYS 100 3HZ LYS 100 6.565 15.964 -1.461 883 HZ2 LYS 100 1HZ LYS 100 8.018 15.567 -2.222 884 HZ3 LYS 100 2HZ LYS 100 6.772 14.429 -2.132 885 H GLY 101 H GLY 101 2.362 21.012 -4.440 886 HA2 GLY 101 2HA GLY 101 -0.001 19.345 -5.159 887 HA3 GLY 101 3HA GLY 101 -0.021 20.728 -4.080 888 H SER 102 H SER 102 0.318 22.858 -5.004 889 HA SER 102 HA SER 102 -1.479 23.143 -7.234 890 HB2 SER 102 2HB SER 102 -1.320 25.598 -6.628 891 HB3 SER 102 3HB SER 102 -1.808 24.547 -5.297 892 HG SER 102 HG SER 102 -0.253 25.678 -4.370 893 H LEU 103 H LEU 103 1.790 22.656 -7.302 894 HA LEU 103 HA LEU 103 2.559 24.592 -9.297 895 HB2 LEU 103 2HB LEU 103 4.059 23.190 -7.626 896 HB3 LEU 103 3HB LEU 103 4.007 21.952 -8.862 897 HG LEU 103 HG LEU 103 5.168 24.755 -9.206 898 HD11 LEU 103 1HD1 LEU 103 6.619 22.107 -8.941 899 HD12 LEU 103 2HD1 LEU 103 6.532 23.378 -7.719 900 HD13 LEU 103 3HD1 LEU 103 7.366 23.681 -9.241 901 HD21 LEU 103 3HD2 LEU 103 6.081 23.983 -11.361 902 HD22 LEU 103 1HD2 LEU 103 4.318 23.954 -11.355 903 HD23 LEU 103 2HD2 LEU 103 5.222 22.449 -11.182 904 H GLU 104 H GLU 104 2.552 21.040 -9.633 905 HA GLU 104 HA GLU 104 1.460 21.271 -12.374 906 HB2 GLU 104 2HB GLU 104 2.657 18.890 -12.562 907 HB3 GLU 104 3HB GLU 104 3.561 20.374 -12.794 908 HG2 GLU 104 2HG GLU 104 4.821 18.745 -11.455 909 HG3 GLU 104 3HG GLU 104 4.486 20.217 -10.545 910 H HIS 105 H HIS 105 -0.549 21.406 -11.001 911 HA HIS 105 HA HIS 105 -1.515 18.961 -9.795 912 HB2 HIS 105 2HB HIS 105 -3.646 20.284 -9.429 913 HB3 HIS 105 3HB HIS 105 -2.202 20.969 -8.696 914 HD1 HIS 105 HD1 HIS 105 -4.663 21.604 -11.489 915 HD2 HIS 105 HD2 HIS 105 -1.477 23.494 -9.619 916 HE1 HIS 105 HE1 HIS 105 -4.717 23.987 -12.285 917 HE2 HIS 105 HE2 HIS 105 -2.833 25.122 -11.078 918 H HIS 106 H HIS 106 -1.233 17.629 -11.730 919 HA HIS 106 HA HIS 106 -3.210 17.797 -13.853 920 HB2 HIS 106 2HB HIS 106 -0.869 16.753 -14.092 921 HB3 HIS 106 3HB HIS 106 -1.466 15.387 -13.162 922 HD1 HIS 106 HD1 HIS 106 -3.035 13.723 -14.379 923 HD2 HIS 106 HD2 HIS 106 -1.907 16.971 -16.720 924 HE1 HIS 106 HE1 HIS 106 -3.738 13.155 -16.722 925 HE2 HIS 106 HE2 HIS 106 -3.235 15.210 -18.058 926 H HIS 107 H HIS 107 -3.243 16.885 -10.642 927 HA HIS 107 HA HIS 107 -5.194 15.118 -10.076 928 HB2 HIS 107 2HB HIS 107 -4.075 16.732 -8.502 929 HB3 HIS 107 3HB HIS 107 -5.047 18.034 -9.160 930 HD1 HIS 107 HD1 HIS 107 -4.895 15.792 -6.390 931 HD2 HIS 107 HD2 HIS 107 -7.960 17.584 -8.550 932 HE1 HIS 107 HE1 HIS 107 -6.882 15.794 -4.865 933 HE2 HIS 107 HE2 HIS 107 -8.617 17.106 -6.102 934 H HIS 108 H HIS 108 -7.091 14.670 -11.107 935 HA HIS 108 HA HIS 108 -7.824 16.142 -13.389 936 HB2 HIS 108 2HB HIS 108 -9.311 13.855 -12.054 937 HB3 HIS 108 3HB HIS 108 -9.622 14.454 -13.682 938 HD1 HIS 108 HD1 HIS 108 -8.034 11.747 -12.149 939 HD2 HIS 108 HD2 HIS 108 -6.917 14.331 -15.205 940 HE1 HIS 108 HE1 HIS 108 -6.232 10.554 -13.425 941 HE2 HIS 108 HE2 HIS 108 -5.743 12.044 -15.384 942 H HIS 109 H HIS 109 -9.095 16.287 -10.157 943 HA HIS 109 HA HIS 109 -10.381 17.788 -9.095 944 HB2 HIS 109 2HB HIS 109 -9.311 19.567 -10.338 945 HB3 HIS 109 3HB HIS 109 -10.309 19.274 -11.757 946 HD1 HIS 109 HD1 HIS 109 -12.489 20.517 -11.897 947 HD2 HIS 109 HD2 HIS 109 -10.748 20.814 -8.139 948 HE1 HIS 109 HE1 HIS 109 -13.898 22.158 -10.627 949 HE2 HIS 109 HE2 HIS 109 -12.891 22.232 -8.336 950 H HIS 110 H HIS 110 -12.339 17.248 -8.421 951 HA HIS 110 HA HIS 110 -14.633 17.359 -10.233 952 HB2 HIS 110 2HB HIS 110 -15.572 15.233 -9.066 953 HB3 HIS 110 3HB HIS 110 -14.357 15.015 -10.317 954 HD1 HIS 110 HD1 HIS 110 -14.895 14.630 -6.625 955 HD2 HIS 110 HD2 HIS 110 -11.918 13.919 -9.435 956 HE1 HIS 110 HE1 HIS 110 -13.201 13.185 -5.466 957 HE2 HIS 110 HE2 HIS 110 -11.528 12.618 -7.236 Start of MODEL 4 1 H1 MET 1 1H MET 1 3.766 12.279 -16.212 2 H2 MET 1 2H MET 1 2.264 12.275 -16.980 3 H3 MET 1 3H MET 1 2.362 11.925 -15.333 4 HA MET 1 HA MET 1 3.028 14.524 -16.597 5 HB2 MET 1 2HB MET 1 0.975 15.398 -15.604 6 HB3 MET 1 3HB MET 1 0.569 13.987 -16.567 7 HG2 MET 1 2HG MET 1 0.379 12.623 -14.541 8 HG3 MET 1 3HG MET 1 0.873 13.997 -13.552 9 HE1 MET 1 3HE MET 1 -1.216 13.775 -11.959 10 HE2 MET 1 1HE MET 1 -1.730 12.342 -12.854 11 HE3 MET 1 2HE MET 1 -2.875 13.644 -12.537 12 H GLY 2 H GLY 2 4.071 12.490 -14.260 13 HA2 GLY 2 2HA GLY 2 5.230 12.863 -12.273 14 HA3 GLY 2 3HA GLY 2 4.684 14.540 -12.258 15 H SER 3 H SER 3 2.923 11.504 -12.540 16 HA SER 3 HA SER 3 0.841 12.236 -10.740 17 HB2 SER 3 2HB SER 3 1.554 9.501 -11.900 18 HB3 SER 3 3HB SER 3 -0.004 9.973 -11.211 19 HG SER 3 HG SER 3 -0.090 10.135 -13.444 20 H LYS 4 H LYS 4 0.232 10.471 -9.014 21 HA LYS 4 HA LYS 4 2.598 9.587 -7.463 22 HB2 LYS 4 2HB LYS 4 1.591 11.716 -6.510 23 HB3 LYS 4 3HB LYS 4 0.066 10.866 -6.300 24 HG2 LYS 4 2HG LYS 4 0.950 10.695 -4.159 25 HG3 LYS 4 3HG LYS 4 1.529 9.182 -4.858 26 HD2 LYS 4 2HD LYS 4 3.336 10.213 -3.619 27 HD3 LYS 4 3HD LYS 4 3.721 10.310 -5.338 28 HE2 LYS 4 2HE LYS 4 2.993 12.669 -5.377 29 HE3 LYS 4 3HE LYS 4 2.544 12.573 -3.672 30 HZ1 LYS 4 3HZ LYS 4 4.677 13.591 -3.870 31 HZ2 LYS 4 1HZ LYS 4 5.284 12.307 -4.790 32 HZ3 LYS 4 2HZ LYS 4 4.884 12.069 -3.170 33 H ILE 5 H ILE 5 2.417 7.428 -7.044 34 HA ILE 5 HA ILE 5 -0.205 6.458 -6.101 35 HB ILE 5 HB ILE 5 0.371 4.128 -6.734 36 HG12 ILE 5 2HG1 ILE 5 2.227 4.136 -8.792 37 HG13 ILE 5 3HG1 ILE 5 2.932 5.333 -7.721 38 HG21 ILE 5 1HG2 ILE 5 0.259 5.995 -9.114 39 HG22 ILE 5 2HG2 ILE 5 -1.114 5.399 -8.178 40 HG23 ILE 5 3HG2 ILE 5 -0.145 4.276 -9.134 41 HD11 ILE 5 3HD1 ILE 5 2.992 3.679 -5.915 42 HD12 ILE 5 1HD1 ILE 5 3.853 3.117 -7.349 43 HD13 ILE 5 2HD1 ILE 5 2.246 2.489 -6.986 44 H ILE 6 H ILE 6 -0.097 5.264 -4.233 45 HA ILE 6 HA ILE 6 2.489 5.333 -2.767 46 HB ILE 6 HB ILE 6 -0.360 5.528 -1.688 47 HG12 ILE 6 2HG1 ILE 6 0.401 7.643 -2.700 48 HG13 ILE 6 3HG1 ILE 6 0.283 7.810 -0.956 49 HG21 ILE 6 1HG2 ILE 6 0.660 5.815 0.535 50 HG22 ILE 6 2HG2 ILE 6 2.256 5.507 -0.154 51 HG23 ILE 6 3HG2 ILE 6 1.034 4.234 -0.154 52 HD11 ILE 6 3HD1 ILE 6 2.222 8.957 -1.818 53 HD12 ILE 6 1HD1 ILE 6 2.821 7.468 -2.546 54 HD13 ILE 6 2HD1 ILE 6 2.729 7.617 -0.788 55 H VAL 7 H VAL 7 3.167 3.447 -1.869 56 HA VAL 7 HA VAL 7 1.426 1.059 -2.139 57 HB VAL 7 HB VAL 7 4.485 1.080 -2.211 58 HG11 VAL 7 1HG1 VAL 7 2.463 -1.129 -2.726 59 HG12 VAL 7 2HG1 VAL 7 3.539 -0.993 -1.330 60 HG13 VAL 7 3HG1 VAL 7 4.208 -1.274 -2.938 61 HG21 VAL 7 3HG2 VAL 7 4.313 0.578 -4.625 62 HG22 VAL 7 1HG2 VAL 7 3.607 2.154 -4.255 63 HG23 VAL 7 2HG2 VAL 7 2.558 0.764 -4.550 64 H ILE 8 H ILE 8 0.723 0.473 -0.189 65 HA ILE 8 HA ILE 8 2.317 1.144 2.219 66 HB ILE 8 HB ILE 8 -0.713 0.840 1.944 67 HG12 ILE 8 2HG1 ILE 8 1.064 3.259 2.494 68 HG13 ILE 8 3HG1 ILE 8 0.117 2.965 1.045 69 HG21 ILE 8 1HG2 ILE 8 -0.839 1.458 4.339 70 HG22 ILE 8 2HG2 ILE 8 0.922 1.434 4.443 71 HG23 ILE 8 3HG2 ILE 8 0.039 -0.058 4.115 72 HD11 ILE 8 3HD1 ILE 8 -0.913 4.625 2.418 73 HD12 ILE 8 1HD1 ILE 8 -0.974 3.523 3.793 74 HD13 ILE 8 2HD1 ILE 8 -1.929 3.190 2.345 75 H ILE 9 H ILE 9 2.942 -0.430 3.416 76 HA ILE 9 HA ILE 9 2.375 -3.224 2.735 77 HB ILE 9 HB ILE 9 4.682 -1.988 4.329 78 HG12 ILE 9 2HG1 ILE 9 6.098 -3.042 2.442 79 HG13 ILE 9 3HG1 ILE 9 4.600 -3.275 1.560 80 HG21 ILE 9 1HG2 ILE 9 5.640 -4.269 4.471 81 HG22 ILE 9 2HG2 ILE 9 4.181 -4.925 3.728 82 HG23 ILE 9 3HG2 ILE 9 4.093 -4.156 5.315 83 HD11 ILE 9 3HD1 ILE 9 4.277 -0.847 1.478 84 HD12 ILE 9 1HD1 ILE 9 5.829 -1.321 0.785 85 HD13 ILE 9 2HD1 ILE 9 5.763 -0.616 2.400 86 H SER 10 H SER 10 0.459 -3.549 3.824 87 HA SER 10 HA SER 10 0.018 -2.497 6.499 88 HB2 SER 10 2HB SER 10 -1.861 -2.480 4.904 89 HB3 SER 10 3HB SER 10 -1.754 -4.232 4.733 90 HG SER 10 HG SER 10 -3.272 -3.987 6.233 91 H SER 11 H SER 11 1.210 -3.525 7.974 92 HA SER 11 HA SER 11 1.477 -6.469 7.913 93 HB2 SER 11 2HB SER 11 3.193 -4.378 9.323 94 HB3 SER 11 3HB SER 11 3.528 -6.113 9.236 95 HG SER 11 HG SER 11 3.151 -4.677 6.858 96 H ASP 12 H ASP 12 -0.625 -6.720 8.855 97 HA ASP 12 HA ASP 12 -1.824 -7.582 10.552 98 HB2 ASP 12 2HB ASP 12 0.331 -6.587 12.463 99 HB3 ASP 12 3HB ASP 12 -1.009 -7.632 12.912 100 H ASP 13 H ASP 13 -0.525 -4.362 11.474 101 HA ASP 13 HA ASP 13 -2.882 -3.579 12.915 102 HB2 ASP 13 2HB ASP 13 -0.628 -2.710 13.483 103 HB3 ASP 13 3HB ASP 13 -0.526 -1.898 11.923 104 H THR 14 H THR 14 -4.350 -1.862 12.353 105 HA THR 14 HA THR 14 -5.101 -2.062 9.506 106 HB THR 14 HB THR 14 -6.678 -3.012 11.174 107 HG1 THR 14 HG1 THR 14 -7.279 -1.645 9.115 108 HG21 THR 14 3HG2 THR 14 -8.008 -1.543 12.630 109 HG22 THR 14 1HG2 THR 14 -7.073 -0.142 12.102 110 HG23 THR 14 2HG2 THR 14 -6.298 -1.420 13.040 111 H THR 15 H THR 15 -3.992 0.312 11.761 112 HA THR 15 HA THR 15 -5.373 2.593 10.857 113 HB THR 15 HB THR 15 -2.553 2.647 12.005 114 HG1 THR 15 HG1 THR 15 -3.478 1.540 13.571 115 HG21 THR 15 3HG2 THR 15 -3.476 4.844 11.269 116 HG22 THR 15 1HG2 THR 15 -3.300 4.775 13.025 117 HG23 THR 15 2HG2 THR 15 -4.893 4.586 12.290 118 H LEU 16 H LEU 16 -2.672 0.874 9.511 119 HA LEU 16 HA LEU 16 -1.673 2.893 7.746 120 HB2 LEU 16 2HB LEU 16 -1.502 -0.145 7.590 121 HB3 LEU 16 3HB LEU 16 -0.721 0.924 6.442 122 HG LEU 16 HG LEU 16 0.580 1.927 8.419 123 HD11 LEU 16 1HD1 LEU 16 0.816 0.578 10.442 124 HD12 LEU 16 2HD1 LEU 16 -0.439 -0.525 9.872 125 HD13 LEU 16 3HD1 LEU 16 -0.840 1.153 10.244 126 HD21 LEU 16 3HD2 LEU 16 1.072 -0.987 7.729 127 HD22 LEU 16 1HD2 LEU 16 2.251 0.116 8.449 128 HD23 LEU 16 2HD2 LEU 16 1.643 0.417 6.824 129 H GLU 17 H GLU 17 -4.302 0.611 7.607 130 HA GLU 17 HA GLU 17 -4.996 0.982 4.814 131 HB2 GLU 17 2HB GLU 17 -6.665 -0.294 7.023 132 HB3 GLU 17 3HB GLU 17 -6.791 -0.581 5.289 133 HG2 GLU 17 2HG GLU 17 -4.638 -1.747 5.284 134 HG3 GLU 17 3HG GLU 17 -4.389 -1.351 6.985 135 H GLU 18 H GLU 18 -5.949 2.220 7.961 136 HA GLU 18 HA GLU 18 -8.361 3.567 7.332 137 HB2 GLU 18 2HB GLU 18 -7.855 3.083 9.627 138 HB3 GLU 18 3HB GLU 18 -6.252 3.785 9.508 139 HG2 GLU 18 2HG GLU 18 -7.601 5.195 10.886 140 HG3 GLU 18 3HG GLU 18 -7.272 6.040 9.381 141 H LEU 19 H LEU 19 -4.977 4.640 7.560 142 HA LEU 19 HA LEU 19 -5.378 7.339 6.756 143 HB2 LEU 19 2HB LEU 19 -2.849 5.636 6.724 144 HB3 LEU 19 3HB LEU 19 -2.883 7.382 6.522 145 HG LEU 19 HG LEU 19 -3.798 5.938 9.045 146 HD11 LEU 19 1HD1 LEU 19 -1.403 5.611 8.723 147 HD12 LEU 19 2HD1 LEU 19 -1.710 6.692 10.079 148 HD13 LEU 19 3HD1 LEU 19 -1.166 7.351 8.532 149 HD21 LEU 19 3HD2 LEU 19 -4.895 8.100 8.764 150 HD22 LEU 19 1HD2 LEU 19 -3.332 8.893 8.543 151 HD23 LEU 19 2HD2 LEU 19 -3.742 8.155 10.094 152 H ALA 20 H ALA 20 -4.609 4.345 5.067 153 HA ALA 20 HA ALA 20 -3.692 5.215 2.605 154 HB1 ALA 20 3HB ALA 20 -4.378 3.024 1.739 155 HB2 ALA 20 1HB ALA 20 -5.415 2.774 3.152 156 HB3 ALA 20 2HB ALA 20 -3.665 2.862 3.342 157 H ARG 21 H ARG 21 -7.015 4.934 3.741 158 HA ARG 21 HA ARG 21 -8.269 5.345 1.193 159 HB2 ARG 21 2HB ARG 21 -9.226 4.096 3.205 160 HB3 ARG 21 3HB ARG 21 -9.522 5.659 3.956 161 HG2 ARG 21 2HG ARG 21 -11.120 6.256 2.255 162 HG3 ARG 21 3HG ARG 21 -10.678 4.861 1.271 163 HD2 ARG 21 2HD ARG 21 -11.605 3.339 2.954 164 HD3 ARG 21 3HD ARG 21 -11.981 4.705 4.011 165 HE ARG 21 HE ARG 21 -13.292 5.308 1.718 166 HH11 ARG 21 1HH1 ARG 21 -13.350 2.463 3.791 167 HH12 ARG 21 2HH1 ARG 21 -15.000 2.075 3.408 168 HH21 ARG 21 1HH2 ARG 21 -15.450 4.810 1.249 169 HH22 ARG 21 2HH2 ARG 21 -16.183 3.411 1.967 170 H LYS 22 H LYS 22 -7.298 7.410 3.878 171 HA LYS 22 HA LYS 22 -8.480 9.846 2.898 172 HB2 LYS 22 2HB LYS 22 -6.497 9.157 5.077 173 HB3 LYS 22 3HB LYS 22 -6.615 10.833 4.557 174 HG2 LYS 22 2HG LYS 22 -7.983 10.461 6.528 175 HG3 LYS 22 3HG LYS 22 -9.002 10.870 5.148 176 HD2 LYS 22 2HD LYS 22 -9.569 8.455 4.879 177 HD3 LYS 22 3HD LYS 22 -8.572 8.079 6.290 178 HE2 LYS 22 2HE LYS 22 -10.047 9.445 7.718 179 HE3 LYS 22 3HE LYS 22 -11.020 9.886 6.312 180 HZ1 LYS 22 3HZ LYS 22 -10.677 7.130 7.363 181 HZ2 LYS 22 1HZ LYS 22 -11.619 7.570 6.039 182 HZ3 LYS 22 2HZ LYS 22 -12.032 8.109 7.589 183 H ILE 23 H ILE 23 -5.393 8.205 2.444 184 HA ILE 23 HA ILE 23 -3.944 10.275 1.182 185 HB ILE 23 HB ILE 23 -3.664 7.240 1.011 186 HG12 ILE 23 2HG1 ILE 23 -1.949 9.241 2.559 187 HG13 ILE 23 3HG1 ILE 23 -3.315 8.390 3.263 188 HG21 ILE 23 1HG2 ILE 23 -1.402 7.584 0.076 189 HG22 ILE 23 2HG2 ILE 23 -1.681 9.324 0.012 190 HG23 ILE 23 3HG2 ILE 23 -2.638 8.242 -1.002 191 HD11 ILE 23 3HD1 ILE 23 -0.827 7.094 2.171 192 HD12 ILE 23 1HD1 ILE 23 -2.198 6.263 2.907 193 HD13 ILE 23 2HD1 ILE 23 -1.216 7.365 3.870 194 H LYS 24 H LYS 24 -5.636 7.433 -0.271 195 HA LYS 24 HA LYS 24 -5.151 8.239 -2.927 196 HB2 LYS 24 2HB LYS 24 -6.586 6.481 -3.683 197 HB3 LYS 24 3HB LYS 24 -5.572 5.904 -2.374 198 HG2 LYS 24 2HG LYS 24 -7.357 5.534 -0.943 199 HG3 LYS 24 3HG LYS 24 -8.350 6.810 -1.662 200 HD2 LYS 24 2HD LYS 24 -9.187 4.472 -2.148 201 HD3 LYS 24 3HD LYS 24 -8.865 5.436 -3.588 202 HE2 LYS 24 2HE LYS 24 -6.563 4.258 -3.655 203 HE3 LYS 24 3HE LYS 24 -7.238 3.139 -2.473 204 HZ1 LYS 24 3HZ LYS 24 -8.982 2.580 -4.045 205 HZ2 LYS 24 1HZ LYS 24 -7.461 2.314 -4.735 206 HZ3 LYS 24 2HZ LYS 24 -8.363 3.676 -5.171 207 H ASP 25 H ASP 25 -7.485 9.350 -0.738 208 HA ASP 25 HA ASP 25 -9.667 10.030 -2.331 209 HB2 ASP 25 2HB ASP 25 -9.453 10.112 0.223 210 HB3 ASP 25 3HB ASP 25 -8.662 11.673 0.032 211 H GLU 26 H GLU 26 -6.499 11.493 -2.265 212 HA GLU 26 HA GLU 26 -7.197 14.049 -3.408 213 HB2 GLU 26 2HB GLU 26 -4.504 12.626 -3.366 214 HB3 GLU 26 3HB GLU 26 -4.748 14.313 -3.770 215 HG2 GLU 26 2HG GLU 26 -5.282 13.061 -1.063 216 HG3 GLU 26 3HG GLU 26 -3.846 13.979 -1.493 217 H GLY 27 H GLY 27 -7.311 11.005 -4.760 218 HA2 GLY 27 2HA GLY 27 -8.144 10.630 -6.941 219 HA3 GLY 27 3HA GLY 27 -7.360 12.099 -7.500 220 H LEU 28 H LEU 28 -5.847 9.548 -5.572 221 HA LEU 28 HA LEU 28 -4.236 8.652 -7.906 222 HB2 LEU 28 2HB LEU 28 -2.285 8.345 -6.468 223 HB3 LEU 28 3HB LEU 28 -2.768 10.027 -6.483 224 HG LEU 28 HG LEU 28 -3.639 8.222 -4.199 225 HD11 LEU 28 1HD1 LEU 28 -1.652 8.829 -2.927 226 HD12 LEU 28 2HD1 LEU 28 -0.990 9.694 -4.315 227 HD13 LEU 28 3HD1 LEU 28 -1.195 7.942 -4.382 228 HD21 LEU 28 3HD2 LEU 28 -3.115 11.202 -4.396 229 HD22 LEU 28 1HD2 LEU 28 -3.648 10.334 -2.955 230 HD23 LEU 28 2HD2 LEU 28 -4.696 10.413 -4.368 231 H GLU 29 H GLU 29 -3.342 6.435 -7.637 232 HA GLU 29 HA GLU 29 -5.166 4.655 -6.218 233 HB2 GLU 29 2HB GLU 29 -4.453 4.188 -8.570 234 HB3 GLU 29 3HB GLU 29 -2.787 4.017 -8.026 235 HG2 GLU 29 2HG GLU 29 -3.821 1.826 -8.376 236 HG3 GLU 29 3HG GLU 29 -3.419 2.058 -6.674 237 H VAL 30 H VAL 30 -4.582 3.299 -4.545 238 HA VAL 30 HA VAL 30 -1.806 3.379 -3.522 239 HB VAL 30 HB VAL 30 -4.372 3.154 -1.863 240 HG11 VAL 30 1HG1 VAL 30 -1.483 2.917 -0.930 241 HG12 VAL 30 2HG1 VAL 30 -2.675 1.615 -0.963 242 HG13 VAL 30 3HG1 VAL 30 -2.900 2.986 0.124 243 HG21 VAL 30 3HG2 VAL 30 -3.789 5.468 -2.515 244 HG22 VAL 30 1HG2 VAL 30 -2.173 5.262 -1.832 245 HG23 VAL 30 2HG2 VAL 30 -3.590 5.231 -0.778 246 H TYR 31 H TYR 31 -0.839 1.485 -3.450 247 HA TYR 31 HA TYR 31 -2.300 -1.015 -4.012 248 HB2 TYR 31 2HB TYR 31 0.656 -0.310 -4.362 249 HB3 TYR 31 3HB TYR 31 -0.049 -1.889 -4.698 250 HD1 TYR 31 HD1 TYR 31 -1.751 -2.098 -6.582 251 HD2 TYR 31 HD2 TYR 31 0.594 1.436 -6.036 252 HE1 TYR 31 HE1 TYR 31 -2.216 -1.429 -8.900 253 HE2 TYR 31 HE2 TYR 31 0.121 2.106 -8.357 254 HH TYR 31 HH TYR 31 -2.282 0.631 -10.255 255 H ILE 32 H ILE 32 -2.672 -2.109 -2.148 256 HA ILE 32 HA ILE 32 -0.941 -1.719 0.185 257 HB ILE 32 HB ILE 32 -3.448 -3.444 -0.075 258 HG12 ILE 32 2HG1 ILE 32 -3.961 -1.018 -0.456 259 HG13 ILE 32 3HG1 ILE 32 -4.718 -1.651 0.998 260 HG21 ILE 32 1HG2 ILE 32 -2.025 -4.170 1.775 261 HG22 ILE 32 2HG2 ILE 32 -3.476 -3.395 2.405 262 HG23 ILE 32 3HG2 ILE 32 -1.944 -2.520 2.403 263 HD11 ILE 32 3HD1 ILE 32 -3.865 0.585 1.338 264 HD12 ILE 32 1HD1 ILE 32 -2.239 0.065 0.896 265 HD13 ILE 32 2HD1 ILE 32 -3.001 -0.561 2.362 266 H LEU 33 H LEU 33 0.851 -3.023 0.344 267 HA LEU 33 HA LEU 33 0.893 -5.676 -0.863 268 HB2 LEU 33 2HB LEU 33 3.023 -4.171 0.715 269 HB3 LEU 33 3HB LEU 33 3.240 -5.750 -0.024 270 HG LEU 33 HG LEU 33 2.923 -3.076 -1.393 271 HD11 LEU 33 1HD1 LEU 33 5.067 -5.205 -1.594 272 HD12 LEU 33 2HD1 LEU 33 5.187 -3.664 -0.742 273 HD13 LEU 33 3HD1 LEU 33 5.031 -3.687 -2.496 274 HD21 LEU 33 3HD2 LEU 33 2.851 -4.231 -3.572 275 HD22 LEU 33 1HD2 LEU 33 1.418 -4.547 -2.599 276 HD23 LEU 33 2HD2 LEU 33 2.673 -5.778 -2.744 277 H LEU 34 H LEU 34 -0.183 -7.122 0.216 278 HA LEU 34 HA LEU 34 -0.445 -7.000 3.114 279 HB2 LEU 34 2HB LEU 34 -2.294 -7.572 1.136 280 HB3 LEU 34 3HB LEU 34 -1.810 -9.195 1.584 281 HG LEU 34 HG LEU 34 -3.838 -8.450 2.797 282 HD11 LEU 34 1HD1 LEU 34 -1.469 -8.809 4.669 283 HD12 LEU 34 2HD1 LEU 34 -2.414 -10.095 3.915 284 HD13 LEU 34 3HD1 LEU 34 -3.173 -9.029 5.091 285 HD21 LEU 34 3HD2 LEU 34 -3.370 -6.033 2.850 286 HD22 LEU 34 1HD2 LEU 34 -2.076 -6.291 4.023 287 HD23 LEU 34 2HD2 LEU 34 -3.750 -6.635 4.459 288 H LYS 35 H LYS 35 0.939 -8.093 4.293 289 HA LYS 35 HA LYS 35 1.936 -10.724 3.406 290 HB2 LYS 35 2HB LYS 35 4.062 -10.244 4.652 291 HB3 LYS 35 3HB LYS 35 3.819 -9.201 3.258 292 HG2 LYS 35 2HG LYS 35 3.024 -7.396 4.804 293 HG3 LYS 35 3HG LYS 35 3.433 -8.432 6.174 294 HD2 LYS 35 2HD LYS 35 5.348 -7.349 4.083 295 HD3 LYS 35 3HD LYS 35 5.230 -6.823 5.759 296 HE2 LYS 35 2HE LYS 35 6.077 -9.595 4.843 297 HE3 LYS 35 3HE LYS 35 7.166 -8.319 5.383 298 HZ1 LYS 35 3HZ LYS 35 6.206 -8.403 7.554 299 HZ2 LYS 35 1HZ LYS 35 6.674 -9.960 7.103 300 HZ3 LYS 35 2HZ LYS 35 5.037 -9.528 7.067 301 H ASP 36 H ASP 36 1.221 -12.232 4.665 302 HA ASP 36 HA ASP 36 0.473 -11.726 7.480 303 HB2 ASP 36 2HB ASP 36 -1.495 -11.552 5.811 304 HB3 ASP 36 3HB ASP 36 -1.250 -13.259 5.489 305 H LYS 37 H LYS 37 0.079 -13.867 8.590 306 HA LYS 37 HA LYS 37 2.299 -15.608 8.187 307 HB2 LYS 37 2HB LYS 37 1.359 -15.099 10.432 308 HB3 LYS 37 3HB LYS 37 -0.138 -15.921 10.005 309 HG2 LYS 37 2HG LYS 37 1.282 -17.340 11.428 310 HG3 LYS 37 3HG LYS 37 1.061 -18.066 9.836 311 HD2 LYS 37 2HD LYS 37 3.377 -18.337 10.562 312 HD3 LYS 37 3HD LYS 37 3.314 -17.261 9.166 313 HE2 LYS 37 2HE LYS 37 4.890 -16.376 10.784 314 HE3 LYS 37 3HE LYS 37 3.491 -15.307 10.726 315 HZ1 LYS 37 3HZ LYS 37 4.061 -17.359 12.794 316 HZ2 LYS 37 1HZ LYS 37 2.662 -16.412 12.738 317 HZ3 LYS 37 2HZ LYS 37 4.165 -15.683 12.983 318 H ASP 38 H ASP 38 -1.111 -15.706 7.292 319 HA ASP 38 HA ASP 38 -0.831 -18.468 6.249 320 HB2 ASP 38 2HB ASP 38 -3.190 -17.091 7.588 321 HB3 ASP 38 3HB ASP 38 -3.342 -18.604 6.702 322 H GLU 39 H GLU 39 -2.886 -18.891 4.754 323 HA GLU 39 HA GLU 39 -2.406 -17.169 2.426 324 HB2 GLU 39 2HB GLU 39 -3.665 -19.934 2.639 325 HB3 GLU 39 3HB GLU 39 -3.380 -19.078 1.130 326 HG2 GLU 39 2HG GLU 39 -1.188 -19.867 3.062 327 HG3 GLU 39 3HG GLU 39 -1.690 -20.855 1.695 328 H LYS 40 H LYS 40 -5.252 -18.865 3.875 329 HA LYS 40 HA LYS 40 -7.142 -17.291 2.402 330 HB2 LYS 40 2HB LYS 40 -7.775 -19.554 2.943 331 HB3 LYS 40 3HB LYS 40 -7.533 -19.284 4.666 332 HG2 LYS 40 2HG LYS 40 -9.473 -17.832 4.786 333 HG3 LYS 40 3HG LYS 40 -9.661 -17.838 3.035 334 HD2 LYS 40 2HD LYS 40 -9.939 -20.326 4.762 335 HD3 LYS 40 3HD LYS 40 -11.295 -19.288 4.320 336 HE2 LYS 40 2HE LYS 40 -9.513 -20.771 2.355 337 HE3 LYS 40 3HE LYS 40 -11.140 -21.256 2.837 338 HZ1 LYS 40 3HZ LYS 40 -11.977 -19.169 1.915 339 HZ2 LYS 40 1HZ LYS 40 -11.192 -20.095 0.742 340 HZ3 LYS 40 2HZ LYS 40 -10.419 -18.749 1.406 341 H ARG 41 H ARG 41 -5.736 -17.056 5.597 342 HA ARG 41 HA ARG 41 -7.538 -15.183 6.734 343 HB2 ARG 41 2HB ARG 41 -5.402 -16.633 7.692 344 HB3 ARG 41 3HB ARG 41 -4.648 -15.056 7.573 345 HG2 ARG 41 2HG ARG 41 -7.267 -15.452 9.038 346 HG3 ARG 41 3HG ARG 41 -5.721 -15.756 9.823 347 HD2 ARG 41 2HD ARG 41 -6.497 -13.102 8.570 348 HD3 ARG 41 3HD ARG 41 -6.677 -13.487 10.284 349 HE ARG 41 HE ARG 41 -4.137 -13.183 8.814 350 HH11 ARG 41 1HH1 ARG 41 -5.782 -13.493 11.929 351 HH12 ARG 41 2HH1 ARG 41 -4.364 -13.085 12.846 352 HH21 ARG 41 1HH2 ARG 41 -2.307 -12.656 10.036 353 HH22 ARG 41 2HH2 ARG 41 -2.398 -12.610 11.772 354 H LEU 42 H LEU 42 -4.401 -14.773 5.073 355 HA LEU 42 HA LEU 42 -4.422 -12.037 4.588 356 HB2 LEU 42 2HB LEU 42 -2.501 -13.447 4.241 357 HB3 LEU 42 3HB LEU 42 -3.323 -14.396 3.032 358 HG LEU 42 HG LEU 42 -3.009 -11.486 2.352 359 HD11 LEU 42 1HD1 LEU 42 -0.575 -13.301 2.391 360 HD12 LEU 42 2HD1 LEU 42 -0.830 -11.870 3.395 361 HD13 LEU 42 3HD1 LEU 42 -0.669 -11.700 1.650 362 HD21 LEU 42 3HD2 LEU 42 -2.518 -14.034 0.765 363 HD22 LEU 42 1HD2 LEU 42 -2.530 -12.389 0.118 364 HD23 LEU 42 2HD2 LEU 42 -4.010 -13.091 0.766 365 H GLU 43 H GLU 43 -5.906 -14.653 2.695 366 HA GLU 43 HA GLU 43 -6.500 -13.480 0.276 367 HB2 GLU 43 2HB GLU 43 -6.785 -15.833 0.571 368 HB3 GLU 43 3HB GLU 43 -7.873 -15.606 1.924 369 HG2 GLU 43 2HG GLU 43 -9.447 -14.530 0.068 370 HG3 GLU 43 3HG GLU 43 -8.454 -15.498 -1.018 371 H GLU 44 H GLU 44 -8.599 -13.572 3.170 372 HA GLU 44 HA GLU 44 -10.787 -12.246 1.859 373 HB2 GLU 44 2HB GLU 44 -10.375 -12.818 4.824 374 HB3 GLU 44 3HB GLU 44 -11.884 -12.317 4.064 375 HG2 GLU 44 2HG GLU 44 -11.764 -14.455 2.677 376 HG3 GLU 44 3HG GLU 44 -10.429 -14.952 3.712 377 H LYS 45 H LYS 45 -8.190 -11.316 4.078 378 HA LYS 45 HA LYS 45 -8.877 -8.695 4.675 379 HB2 LYS 45 2HB LYS 45 -7.054 -9.838 5.794 380 HB3 LYS 45 3HB LYS 45 -6.184 -10.053 4.286 381 HG2 LYS 45 2HG LYS 45 -4.991 -8.373 5.336 382 HG3 LYS 45 3HG LYS 45 -6.015 -7.467 4.234 383 HD2 LYS 45 2HD LYS 45 -6.706 -7.875 7.163 384 HD3 LYS 45 3HD LYS 45 -5.712 -6.539 6.596 385 HE2 LYS 45 2HE LYS 45 -7.646 -5.867 5.100 386 HE3 LYS 45 3HE LYS 45 -8.623 -7.069 5.951 387 HZ1 LYS 45 3HZ LYS 45 -7.215 -4.777 7.214 388 HZ2 LYS 45 1HZ LYS 45 -8.170 -5.912 8.025 389 HZ3 LYS 45 2HZ LYS 45 -8.872 -4.857 6.907 390 H ILE 46 H ILE 46 -6.947 -9.925 1.910 391 HA ILE 46 HA ILE 46 -6.418 -7.637 0.470 392 HB ILE 46 HB ILE 46 -7.080 -10.442 -0.542 393 HG12 ILE 46 2HG1 ILE 46 -4.464 -8.913 -0.203 394 HG13 ILE 46 3HG1 ILE 46 -4.957 -10.388 0.617 395 HG21 ILE 46 1HG2 ILE 46 -7.715 -8.916 -2.362 396 HG22 ILE 46 2HG2 ILE 46 -6.277 -9.838 -2.797 397 HG23 ILE 46 3HG2 ILE 46 -6.125 -8.155 -2.296 398 HD11 ILE 46 3HD1 ILE 46 -3.260 -10.866 -1.016 399 HD12 ILE 46 1HD1 ILE 46 -4.211 -10.116 -2.299 400 HD13 ILE 46 2HD1 ILE 46 -4.777 -11.600 -1.529 401 H GLN 47 H GLN 47 -9.370 -9.606 0.435 402 HA GLN 47 HA GLN 47 -10.658 -8.114 -1.651 403 HB2 GLN 47 2HB GLN 47 -11.819 -10.185 0.265 404 HB3 GLN 47 3HB GLN 47 -12.562 -9.626 -1.232 405 HG2 GLN 47 2HG GLN 47 -9.975 -11.179 -0.983 406 HG3 GLN 47 3HG GLN 47 -11.521 -11.802 -1.552 407 HE21 GLN 47 1HE2 GLN 47 -12.236 -9.578 -3.210 408 HE22 GLN 47 2HE2 GLN 47 -11.158 -9.584 -4.559 409 H LYS 48 H LYS 48 -10.746 -8.028 1.880 410 HA LYS 48 HA LYS 48 -13.073 -6.422 2.198 411 HB2 LYS 48 2HB LYS 48 -10.672 -6.961 3.989 412 HB3 LYS 48 3HB LYS 48 -11.949 -5.860 4.490 413 HG2 LYS 48 2HG LYS 48 -12.293 -8.806 3.844 414 HG3 LYS 48 3HG LYS 48 -12.261 -8.095 5.456 415 HD2 LYS 48 2HD LYS 48 -14.353 -7.535 3.317 416 HD3 LYS 48 3HD LYS 48 -14.572 -8.585 4.715 417 HE2 LYS 48 2HE LYS 48 -14.410 -6.715 6.240 418 HE3 LYS 48 3HE LYS 48 -13.917 -5.628 4.940 419 HZ1 LYS 48 3HZ LYS 48 -16.095 -5.919 3.926 420 HZ2 LYS 48 1HZ LYS 48 -16.238 -5.318 5.501 421 HZ3 LYS 48 2HZ LYS 48 -16.569 -6.946 5.178 422 H LEU 49 H LEU 49 -9.668 -5.703 1.708 423 HA LEU 49 HA LEU 49 -9.929 -2.851 1.964 424 HB2 LEU 49 2HB LEU 49 -7.734 -4.586 0.818 425 HB3 LEU 49 3HB LEU 49 -7.590 -2.851 1.053 426 HG LEU 49 HG LEU 49 -8.015 -4.884 3.275 427 HD11 LEU 49 1HD1 LEU 49 -5.798 -5.126 2.282 428 HD12 LEU 49 2HD1 LEU 49 -5.689 -4.449 3.904 429 HD13 LEU 49 3HD1 LEU 49 -5.488 -3.400 2.497 430 HD21 LEU 49 3HD2 LEU 49 -7.591 -3.026 4.802 431 HD22 LEU 49 1HD2 LEU 49 -9.002 -2.703 3.799 432 HD23 LEU 49 2HD2 LEU 49 -7.466 -1.906 3.444 433 H LYS 50 H LYS 50 -9.708 -5.127 -0.808 434 HA LYS 50 HA LYS 50 -9.733 -3.115 -2.814 435 HB2 LYS 50 2HB LYS 50 -10.445 -6.073 -3.003 436 HB3 LYS 50 3HB LYS 50 -10.332 -4.996 -4.393 437 HG2 LYS 50 2HG LYS 50 -7.928 -4.507 -3.691 438 HG3 LYS 50 3HG LYS 50 -8.096 -5.808 -2.513 439 HD2 LYS 50 2HD LYS 50 -6.967 -6.641 -4.506 440 HD3 LYS 50 3HD LYS 50 -8.553 -7.407 -4.367 441 HE2 LYS 50 2HE LYS 50 -9.459 -6.006 -6.111 442 HE3 LYS 50 3HE LYS 50 -8.014 -4.989 -6.129 443 HZ1 LYS 50 3HZ LYS 50 -8.046 -6.555 -7.970 444 HZ2 LYS 50 1HZ LYS 50 -8.084 -7.863 -6.896 445 HZ3 LYS 50 2HZ LYS 50 -6.734 -6.843 -6.949 446 H SER 51 H SER 51 -12.334 -4.687 -1.051 447 HA SER 51 HA SER 51 -14.570 -3.791 -2.454 448 HB2 SER 51 2HB SER 51 -14.696 -5.351 -0.546 449 HB3 SER 51 3HB SER 51 -14.210 -4.070 0.564 450 HG SER 51 HG SER 51 -16.380 -3.429 -0.996 451 H GLN 52 H GLN 52 -12.389 -2.030 -0.343 452 HA GLN 52 HA GLN 52 -13.952 0.443 -0.314 453 HB2 GLN 52 2HB GLN 52 -11.125 -0.071 0.701 454 HB3 GLN 52 3HB GLN 52 -12.109 1.347 1.045 455 HG2 GLN 52 2HG GLN 52 -13.705 -0.059 2.298 456 HG3 GLN 52 3HG GLN 52 -12.722 -1.483 1.949 457 HE21 GLN 52 1HE2 GLN 52 -10.713 -1.712 3.018 458 HE22 GLN 52 2HE2 GLN 52 -10.293 -0.777 4.408 459 H GLY 53 H GLY 53 -12.213 -0.990 -2.676 460 HA2 GLY 53 2HA GLY 53 -12.032 0.005 -4.814 461 HA3 GLY 53 3HA GLY 53 -11.770 1.571 -4.066 462 H PHE 54 H PHE 54 -9.850 -0.703 -2.488 463 HA PHE 54 HA PHE 54 -7.426 0.405 -3.619 464 HB2 PHE 54 2HB PHE 54 -7.894 -1.718 -1.469 465 HB3 PHE 54 3HB PHE 54 -6.291 -1.174 -1.955 466 HD1 PHE 54 HD2 PHE 54 -5.615 1.224 -1.563 467 HD2 PHE 54 HD1 PHE 54 -9.226 -0.388 0.058 468 HE1 PHE 54 HE2 PHE 54 -5.748 3.085 0.039 469 HE2 PHE 54 HE1 PHE 54 -9.350 1.473 1.654 470 HZ PHE 54 HZ PHE 54 -7.607 3.201 1.642 471 H GLU 55 H GLU 55 -5.602 -0.946 -4.364 472 HA GLU 55 HA GLU 55 -6.349 -3.608 -5.450 473 HB2 GLU 55 2HB GLU 55 -5.704 -2.060 -7.267 474 HB3 GLU 55 3HB GLU 55 -4.196 -1.677 -6.440 475 HG2 GLU 55 2HG GLU 55 -3.917 -3.270 -8.350 476 HG3 GLU 55 3HG GLU 55 -3.331 -3.904 -6.815 477 H VAL 56 H VAL 56 -5.619 -5.134 -4.134 478 HA VAL 56 HA VAL 56 -3.268 -4.614 -2.409 479 HB VAL 56 HB VAL 56 -5.590 -6.518 -1.836 480 HG11 VAL 56 1HG1 VAL 56 -3.502 -7.124 -0.675 481 HG12 VAL 56 2HG1 VAL 56 -4.701 -6.527 0.473 482 HG13 VAL 56 3HG1 VAL 56 -3.369 -5.485 -0.031 483 HG21 VAL 56 3HG2 VAL 56 -6.406 -4.828 -0.258 484 HG22 VAL 56 1HG2 VAL 56 -6.409 -4.208 -1.908 485 HG23 VAL 56 2HG2 VAL 56 -5.148 -3.710 -0.777 486 H ARG 57 H ARG 57 -1.589 -5.979 -2.584 487 HA ARG 57 HA ARG 57 -1.792 -8.339 -4.360 488 HB2 ARG 57 2HB ARG 57 0.427 -6.239 -4.169 489 HB3 ARG 57 3HB ARG 57 0.571 -7.741 -5.075 490 HG2 ARG 57 2HG ARG 57 -1.375 -5.483 -5.640 491 HG3 ARG 57 3HG ARG 57 0.055 -5.911 -6.579 492 HD2 ARG 57 2HD ARG 57 -2.506 -7.503 -6.277 493 HD3 ARG 57 3HD ARG 57 -1.841 -6.786 -7.750 494 HE ARG 57 HE ARG 57 0.105 -8.508 -6.931 495 HH11 ARG 57 1HH1 ARG 57 -3.292 -8.930 -7.703 496 HH12 ARG 57 2HH1 ARG 57 -3.096 -10.574 -8.208 497 HH21 ARG 57 1HH2 ARG 57 0.347 -10.679 -7.519 498 HH22 ARG 57 2HH2 ARG 57 -1.026 -11.575 -8.103 499 H LYS 58 H LYS 58 -0.557 -10.105 -3.813 500 HA LYS 58 HA LYS 58 0.065 -10.415 -0.987 501 HB2 LYS 58 2HB LYS 58 -1.173 -12.098 -2.615 502 HB3 LYS 58 3HB LYS 58 0.439 -12.548 -3.134 503 HG2 LYS 58 2HG LYS 58 -0.619 -12.760 -0.303 504 HG3 LYS 58 3HG LYS 58 -0.521 -14.088 -1.454 505 HD2 LYS 58 2HD LYS 58 1.956 -13.871 -1.459 506 HD3 LYS 58 3HD LYS 58 1.834 -12.556 -0.287 507 HE2 LYS 58 2HE LYS 58 2.405 -14.710 0.792 508 HE3 LYS 58 3HE LYS 58 0.860 -14.082 1.366 509 HZ1 LYS 58 3HZ LYS 58 0.807 -16.476 0.899 510 HZ2 LYS 58 1HZ LYS 58 1.160 -16.177 -0.727 511 HZ3 LYS 58 2HZ LYS 58 -0.292 -15.623 -0.057 512 H VAL 59 H VAL 59 2.106 -10.076 -0.219 513 HA VAL 59 HA VAL 59 4.441 -10.590 -1.977 514 HB VAL 59 HB VAL 59 5.714 -8.866 -0.667 515 HG11 VAL 59 1HG1 VAL 59 3.285 -7.771 -2.132 516 HG12 VAL 59 2HG1 VAL 59 4.783 -8.324 -2.882 517 HG13 VAL 59 3HG1 VAL 59 4.796 -6.906 -1.834 518 HG21 VAL 59 3HG2 VAL 59 4.330 -8.823 1.373 519 HG22 VAL 59 1HG2 VAL 59 2.987 -8.113 0.469 520 HG23 VAL 59 2HG2 VAL 59 4.480 -7.200 0.697 521 H LYS 60 H LYS 60 6.337 -11.316 -0.880 522 HA LYS 60 HA LYS 60 5.762 -13.277 1.170 523 HB2 LYS 60 2HB LYS 60 8.444 -12.567 -0.110 524 HB3 LYS 60 3HB LYS 60 8.099 -14.005 0.844 525 HG2 LYS 60 2HG LYS 60 6.910 -13.331 -1.865 526 HG3 LYS 60 3HG LYS 60 8.169 -14.527 -1.544 527 HD2 LYS 60 2HD LYS 60 6.549 -15.825 -0.155 528 HD3 LYS 60 3HD LYS 60 5.298 -14.635 -0.535 529 HE2 LYS 60 2HE LYS 60 5.049 -16.597 -1.968 530 HE3 LYS 60 3HE LYS 60 5.510 -15.204 -2.946 531 HZ1 LYS 60 3HZ LYS 60 7.313 -17.384 -2.035 532 HZ2 LYS 60 1HZ LYS 60 7.806 -16.025 -2.912 533 HZ3 LYS 60 2HZ LYS 60 6.746 -17.141 -3.607 534 H ASP 61 H ASP 61 8.447 -10.930 1.004 535 HA ASP 61 HA ASP 61 7.824 -9.770 3.572 536 HB2 ASP 61 2HB ASP 61 9.181 -12.080 3.867 537 HB3 ASP 61 3HB ASP 61 10.565 -11.072 3.470 538 H ASP 62 H ASP 62 10.579 -8.675 3.936 539 HA ASP 62 HA ASP 62 10.059 -6.283 2.502 540 HB2 ASP 62 2HB ASP 62 12.008 -5.370 3.609 541 HB3 ASP 62 3HB ASP 62 11.201 -6.433 4.754 542 H ASP 63 H ASP 63 12.286 -8.917 1.940 543 HA ASP 63 HA ASP 63 13.853 -7.962 -0.159 544 HB2 ASP 63 2HB ASP 63 14.077 -10.361 -0.894 545 HB3 ASP 63 3HB ASP 63 14.338 -10.135 0.829 546 H ASP 64 H ASP 64 10.669 -9.583 -0.341 547 HA ASP 64 HA ASP 64 10.434 -9.420 -3.189 548 HB2 ASP 64 2HB ASP 64 9.395 -11.190 -1.684 549 HB3 ASP 64 3HB ASP 64 8.241 -9.976 -1.142 550 H ILE 65 H ILE 65 9.417 -7.495 -0.481 551 HA ILE 65 HA ILE 65 7.480 -5.811 -1.690 552 HB ILE 65 HB ILE 65 9.254 -5.454 0.758 553 HG12 ILE 65 2HG1 ILE 65 6.246 -5.919 0.531 554 HG13 ILE 65 3HG1 ILE 65 7.433 -7.188 0.813 555 HG21 ILE 65 1HG2 ILE 65 7.909 -3.480 1.421 556 HG22 ILE 65 2HG2 ILE 65 7.082 -3.519 -0.135 557 HG23 ILE 65 3HG2 ILE 65 8.812 -3.182 -0.068 558 HD11 ILE 65 3HD1 ILE 65 6.330 -6.542 2.848 559 HD12 ILE 65 1HD1 ILE 65 6.861 -4.876 2.654 560 HD13 ILE 65 2HD1 ILE 65 8.044 -6.160 2.927 561 H ASP 66 H ASP 66 10.959 -5.185 -0.987 562 HA ASP 66 HA ASP 66 11.027 -2.630 -2.162 563 HB2 ASP 66 2HB ASP 66 12.707 -3.422 -0.518 564 HB3 ASP 66 3HB ASP 66 13.348 -4.555 -1.703 565 H LYS 67 H LYS 67 11.635 -5.837 -3.499 566 HA LYS 67 HA LYS 67 12.478 -4.975 -6.109 567 HB2 LYS 67 2HB LYS 67 11.306 -7.646 -5.233 568 HB3 LYS 67 3HB LYS 67 12.011 -7.326 -6.816 569 HG2 LYS 67 2HG LYS 67 14.196 -6.820 -5.686 570 HG3 LYS 67 3HG LYS 67 13.465 -7.304 -4.153 571 HD2 LYS 67 2HD LYS 67 13.856 -9.066 -6.604 572 HD3 LYS 67 3HD LYS 67 14.753 -9.169 -5.089 573 HE2 LYS 67 2HE LYS 67 12.714 -9.854 -3.899 574 HE3 LYS 67 3HE LYS 67 11.766 -9.668 -5.378 575 HZ1 LYS 67 3HZ LYS 67 13.084 -11.429 -6.394 576 HZ2 LYS 67 1HZ LYS 67 12.334 -11.979 -4.981 577 HZ3 LYS 67 2HZ LYS 67 13.981 -11.608 -4.973 578 H TRP 68 H TRP 68 9.370 -5.661 -4.595 579 HA TRP 68 HA TRP 68 7.726 -5.754 -6.891 580 HB2 TRP 68 2HB TRP 68 7.068 -6.436 -4.491 581 HB3 TRP 68 3HB TRP 68 6.838 -4.728 -4.144 582 HD1 TRP 68 HD1 TRP 68 5.174 -7.702 -5.750 583 HE1 TRP 68 HE1 TRP 68 2.834 -7.046 -6.600 584 HE3 TRP 68 HE3 TRP 68 5.420 -2.621 -5.111 585 HZ2 TRP 68 HZ2 TRP 68 1.300 -4.714 -6.958 586 HZ3 TRP 68 HZ3 TRP 68 3.471 -1.253 -5.725 587 HH2 TRP 68 HH2 TRP 68 1.448 -2.284 -6.631 588 H ILE 69 H ILE 69 8.803 -3.085 -4.823 589 HA ILE 69 HA ILE 69 7.338 -1.039 -6.253 590 HB ILE 69 HB ILE 69 9.343 -1.055 -3.988 591 HG12 ILE 69 2HG1 ILE 69 7.459 0.425 -2.965 592 HG13 ILE 69 3HG1 ILE 69 6.497 -0.042 -4.359 593 HG21 ILE 69 1HG2 ILE 69 9.418 1.419 -3.889 594 HG22 ILE 69 2HG2 ILE 69 8.634 1.491 -5.466 595 HG23 ILE 69 3HG2 ILE 69 10.234 0.772 -5.315 596 HD11 ILE 69 3HD1 ILE 69 6.644 -2.372 -3.691 597 HD12 ILE 69 1HD1 ILE 69 6.014 -1.379 -2.379 598 HD13 ILE 69 2HD1 ILE 69 7.685 -1.934 -2.335 599 H ASP 70 H ASP 70 10.504 -2.494 -6.372 600 HA ASP 70 HA ASP 70 11.911 -0.562 -7.841 601 HB2 ASP 70 2HB ASP 70 12.926 -2.452 -6.517 602 HB3 ASP 70 3HB ASP 70 12.441 -3.559 -7.793 603 H LYS 71 H LYS 71 9.950 -3.345 -8.885 604 HA LYS 71 HA LYS 71 10.437 -2.958 -11.673 605 HB2 LYS 71 2HB LYS 71 8.646 -4.548 -12.108 606 HB3 LYS 71 3HB LYS 71 9.667 -5.151 -10.808 607 HG2 LYS 71 2HG LYS 71 7.998 -4.518 -9.148 608 HG3 LYS 71 3HG LYS 71 6.988 -3.787 -10.397 609 HD2 LYS 71 2HD LYS 71 6.644 -6.015 -11.430 610 HD3 LYS 71 3HD LYS 71 7.673 -6.754 -10.196 611 HE2 LYS 71 2HE LYS 71 6.066 -6.041 -8.441 612 HE3 LYS 71 3HE LYS 71 5.041 -5.313 -9.684 613 HZ1 LYS 71 3HZ LYS 71 4.846 -7.541 -10.697 614 HZ2 LYS 71 1HZ LYS 71 4.205 -7.471 -9.131 615 HZ3 LYS 71 2HZ LYS 71 5.708 -8.192 -9.398 616 H ILE 72 H ILE 72 7.953 -1.695 -9.424 617 HA ILE 72 HA ILE 72 6.104 -0.760 -11.367 618 HB ILE 72 HB ILE 72 6.575 0.240 -8.513 619 HG12 ILE 72 2HG1 ILE 72 5.902 -2.171 -8.733 620 HG13 ILE 72 3HG1 ILE 72 4.724 -1.205 -7.861 621 HG21 ILE 72 1HG2 ILE 72 4.289 1.213 -8.610 622 HG22 ILE 72 2HG2 ILE 72 4.187 0.804 -10.325 623 HG23 ILE 72 3HG2 ILE 72 5.379 1.979 -9.769 624 HD11 ILE 72 3HD1 ILE 72 4.493 -2.122 -10.726 625 HD12 ILE 72 1HD1 ILE 72 3.300 -1.155 -9.853 626 HD13 ILE 72 2HD1 ILE 72 3.658 -2.798 -9.328 627 H LYS 73 H LYS 73 8.873 0.799 -9.798 628 HA LYS 73 HA LYS 73 8.620 3.397 -10.888 629 HB2 LYS 73 2HB LYS 73 11.110 1.875 -10.007 630 HB3 LYS 73 3HB LYS 73 11.085 3.598 -10.377 631 HG2 LYS 73 2HG LYS 73 9.528 4.002 -8.526 632 HG3 LYS 73 3HG LYS 73 9.464 2.277 -8.169 633 HD2 LYS 73 2HD LYS 73 11.958 4.023 -7.958 634 HD3 LYS 73 3HD LYS 73 10.949 3.518 -6.601 635 HE2 LYS 73 2HE LYS 73 11.472 1.130 -7.187 636 HE3 LYS 73 3HE LYS 73 12.598 1.726 -8.406 637 HZ1 LYS 73 3HZ LYS 73 12.772 2.209 -5.476 638 HZ2 LYS 73 1HZ LYS 73 13.848 2.826 -6.628 639 HZ3 LYS 73 2HZ LYS 73 13.745 1.158 -6.371 640 H LYS 74 H LYS 74 10.047 0.420 -12.125 641 HA LYS 74 HA LYS 74 11.383 1.618 -14.373 642 HB2 LYS 74 2HB LYS 74 12.296 -0.381 -13.306 643 HB3 LYS 74 3HB LYS 74 10.821 -1.289 -13.622 644 HG2 LYS 74 2HG LYS 74 11.255 -1.290 -16.007 645 HG3 LYS 74 3HG LYS 74 12.618 -0.187 -15.815 646 HD2 LYS 74 2HD LYS 74 12.489 -3.026 -14.714 647 HD3 LYS 74 3HD LYS 74 13.338 -2.543 -16.182 648 HE2 LYS 74 2HE LYS 74 14.767 -1.017 -14.773 649 HE3 LYS 74 3HE LYS 74 13.985 -1.688 -13.341 650 HZ1 LYS 74 3HZ LYS 74 15.529 -3.262 -15.335 651 HZ2 LYS 74 1HZ LYS 74 14.847 -3.860 -13.907 652 HZ3 LYS 74 2HZ LYS 74 16.120 -2.749 -13.837 653 H GLU 75 H GLU 75 8.398 -0.256 -13.890 654 HA GLU 75 HA GLU 75 7.627 -0.574 -16.605 655 HB2 GLU 75 2HB GLU 75 5.932 -0.586 -14.056 656 HB3 GLU 75 3HB GLU 75 5.348 -1.085 -15.639 657 HG2 GLU 75 2HG GLU 75 6.855 -2.982 -15.675 658 HG3 GLU 75 3HG GLU 75 7.641 -2.442 -14.192 659 H ARG 76 H ARG 76 6.849 1.791 -14.099 660 HA ARG 76 HA ARG 76 5.355 3.477 -16.026 661 HB2 ARG 76 2HB ARG 76 4.653 2.981 -13.098 662 HB3 ARG 76 3HB ARG 76 3.757 3.991 -14.230 663 HG2 ARG 76 2HG ARG 76 3.057 2.071 -15.512 664 HG3 ARG 76 3HG ARG 76 4.133 1.007 -14.607 665 HD2 ARG 76 2HD ARG 76 2.785 1.463 -12.546 666 HD3 ARG 76 3HD ARG 76 1.674 2.423 -13.527 667 HE ARG 76 HE ARG 76 0.732 0.501 -14.319 668 HH11 ARG 76 1HH1 ARG 76 3.818 -0.374 -12.854 669 HH12 ARG 76 2HH1 ARG 76 3.540 -2.077 -12.996 670 HH21 ARG 76 1HH2 ARG 76 0.387 -1.716 -14.511 671 HH22 ARG 76 2HH2 ARG 76 1.579 -2.839 -13.941 672 HA PRO 77 HA PRO 77 8.587 6.234 -14.106 673 HB2 PRO 77 2HB PRO 77 9.240 7.598 -16.372 674 HB3 PRO 77 3HB PRO 77 9.881 5.973 -16.047 675 HG2 PRO 77 2HG PRO 77 7.554 6.747 -17.789 676 HG3 PRO 77 3HG PRO 77 8.904 5.645 -18.152 677 HD2 PRO 77 2HD PRO 77 6.469 4.734 -17.328 678 HD3 PRO 77 3HD PRO 77 7.984 3.894 -16.919 679 H GLN 78 H GLN 78 5.503 6.654 -15.481 680 HA GLN 78 HA GLN 78 5.436 9.554 -15.455 681 HB2 GLN 78 2HB GLN 78 3.267 7.487 -16.001 682 HB3 GLN 78 3HB GLN 78 3.002 9.226 -16.069 683 HG2 GLN 78 2HG GLN 78 4.918 7.658 -17.814 684 HG3 GLN 78 3HG GLN 78 3.352 8.298 -18.306 685 HE21 GLN 78 1HE2 GLN 78 6.014 8.804 -19.391 686 HE22 GLN 78 2HE2 GLN 78 6.249 10.514 -19.316 687 H LEU 79 H LEU 79 5.127 7.238 -13.033 688 HA LEU 79 HA LEU 79 3.626 9.126 -11.316 689 HB2 LEU 79 2HB LEU 79 2.804 7.039 -10.054 690 HB3 LEU 79 3HB LEU 79 2.071 7.411 -11.600 691 HG LEU 79 HG LEU 79 3.589 5.634 -12.648 692 HD11 LEU 79 1HD1 LEU 79 5.282 5.432 -10.892 693 HD12 LEU 79 2HD1 LEU 79 4.517 3.883 -11.229 694 HD13 LEU 79 3HD1 LEU 79 4.069 4.788 -9.781 695 HD21 LEU 79 3HD2 LEU 79 2.162 3.769 -12.001 696 HD22 LEU 79 1HD2 LEU 79 1.208 5.234 -12.211 697 HD23 LEU 79 2HD2 LEU 79 1.594 4.659 -10.589 698 H GLU 80 H GLU 80 4.093 9.028 -9.065 699 HA GLU 80 HA GLU 80 6.879 8.430 -8.385 700 HB2 GLU 80 2HB GLU 80 4.644 9.922 -6.943 701 HB3 GLU 80 3HB GLU 80 6.230 9.645 -6.232 702 HG2 GLU 80 2HG GLU 80 5.668 11.235 -8.749 703 HG3 GLU 80 3HG GLU 80 6.039 11.907 -7.160 704 H VAL 81 H VAL 81 7.419 6.838 -6.880 705 HA VAL 81 HA VAL 81 5.207 5.134 -5.842 706 HB VAL 81 HB VAL 81 7.994 4.094 -6.572 707 HG11 VAL 81 1HG1 VAL 81 6.917 1.882 -6.461 708 HG12 VAL 81 2HG1 VAL 81 5.374 2.633 -6.052 709 HG13 VAL 81 3HG1 VAL 81 6.734 2.748 -4.934 710 HG21 VAL 81 3HG2 VAL 81 5.501 3.969 -8.312 711 HG22 VAL 81 1HG2 VAL 81 7.032 3.154 -8.645 712 HG23 VAL 81 2HG2 VAL 81 6.951 4.918 -8.643 713 H ARG 82 H ARG 82 5.108 5.211 -3.710 714 HA ARG 82 HA ARG 82 7.520 5.774 -2.073 715 HB2 ARG 82 2HB ARG 82 5.661 7.450 -1.950 716 HB3 ARG 82 3HB ARG 82 4.561 6.179 -1.426 717 HG2 ARG 82 2HG ARG 82 5.193 7.366 0.534 718 HG3 ARG 82 3HG ARG 82 6.076 5.841 0.590 719 HD2 ARG 82 2HD ARG 82 7.589 7.560 1.249 720 HD3 ARG 82 3HD ARG 82 8.068 7.080 -0.382 721 HE ARG 82 HE ARG 82 6.378 9.194 -0.780 722 HH11 ARG 82 1HH1 ARG 82 9.304 8.785 1.129 723 HH12 ARG 82 2HH1 ARG 82 9.770 10.449 0.990 724 HH21 ARG 82 1HH2 ARG 82 6.988 11.388 -0.934 725 HH22 ARG 82 2HH2 ARG 82 8.451 11.922 -0.180 726 H LYS 83 H LYS 83 8.194 4.173 -0.654 727 HA LYS 83 HA LYS 83 6.484 1.824 -0.159 728 HB2 LYS 83 2HB LYS 83 9.350 2.331 0.769 729 HB3 LYS 83 3HB LYS 83 8.434 0.848 1.001 730 HG2 LYS 83 2HG LYS 83 8.316 1.026 -1.706 731 HG3 LYS 83 3HG LYS 83 9.840 1.861 -1.427 732 HD2 LYS 83 2HD LYS 83 9.132 -0.967 -0.548 733 HD3 LYS 83 3HD LYS 83 10.240 -0.516 -1.843 734 HE2 LYS 83 2HE LYS 83 10.663 0.152 1.091 735 HE3 LYS 83 3HE LYS 83 11.404 -1.208 0.244 736 HZ1 LYS 83 3HZ LYS 83 12.526 0.312 -1.211 737 HZ2 LYS 83 1HZ LYS 83 12.877 0.708 0.392 738 HZ3 LYS 83 2HZ LYS 83 11.781 1.643 -0.491 739 H VAL 84 H VAL 84 5.087 2.070 1.463 740 HA VAL 84 HA VAL 84 5.822 3.593 3.900 741 HB VAL 84 HB VAL 84 3.081 2.882 2.734 742 HG11 VAL 84 1HG1 VAL 84 3.693 4.498 5.234 743 HG12 VAL 84 2HG1 VAL 84 2.987 2.882 5.190 744 HG13 VAL 84 3HG1 VAL 84 2.097 4.248 4.520 745 HG21 VAL 84 3HG2 VAL 84 2.823 5.290 2.330 746 HG22 VAL 84 1HG2 VAL 84 4.229 4.656 1.473 747 HG23 VAL 84 2HG2 VAL 84 4.447 5.590 2.955 748 H THR 85 H THR 85 6.923 1.867 4.924 749 HA THR 85 HA THR 85 5.529 -0.662 5.401 750 HB THR 85 HB THR 85 7.605 -1.247 6.710 751 HG1 THR 85 HG1 THR 85 8.484 0.615 7.388 752 HG21 THR 85 3HG2 THR 85 9.135 -1.396 4.767 753 HG22 THR 85 1HG2 THR 85 8.129 -0.247 3.882 754 HG23 THR 85 2HG2 THR 85 7.490 -1.837 4.305 755 H ASP 86 H ASP 86 5.917 2.385 6.917 756 HA ASP 86 HA ASP 86 4.909 1.412 9.537 757 HB2 ASP 86 2HB ASP 86 6.522 3.939 8.916 758 HB3 ASP 86 3HB ASP 86 5.919 3.475 10.505 759 H GLU 87 H GLU 87 3.141 2.383 10.422 760 HA GLU 87 HA GLU 87 1.192 3.862 9.172 761 HB2 GLU 87 2HB GLU 87 0.891 2.793 11.366 762 HB3 GLU 87 3HB GLU 87 2.064 3.884 12.090 763 HG2 GLU 87 2HG GLU 87 0.325 5.752 11.246 764 HG3 GLU 87 3HG GLU 87 -0.799 4.398 11.319 765 H ASP 88 H ASP 88 4.035 5.018 10.970 766 HA ASP 88 HA ASP 88 3.599 7.764 11.031 767 HB2 ASP 88 2HB ASP 88 5.372 6.713 12.337 768 HB3 ASP 88 3HB ASP 88 6.231 6.222 10.881 769 H GLN 89 H GLN 89 5.073 5.793 8.475 770 HA GLN 89 HA GLN 89 5.856 7.956 6.790 771 HB2 GLN 89 2HB GLN 89 5.411 5.009 6.154 772 HB3 GLN 89 3HB GLN 89 6.096 6.171 5.022 773 HG2 GLN 89 2HG GLN 89 7.953 6.589 6.657 774 HG3 GLN 89 3HG GLN 89 7.296 5.305 7.670 775 HE21 GLN 89 1HE2 GLN 89 7.571 3.146 7.012 776 HE22 GLN 89 2HE2 GLN 89 8.639 2.695 5.734 777 H ALA 90 H ALA 90 2.930 5.958 7.012 778 HA ALA 90 HA ALA 90 1.549 7.025 4.771 779 HB1 ALA 90 3HB ALA 90 0.879 4.921 5.845 780 HB2 ALA 90 1HB ALA 90 -0.473 6.051 5.785 781 HB3 ALA 90 2HB ALA 90 0.399 5.797 7.299 782 H LYS 91 H LYS 91 1.904 8.116 8.088 783 HA LYS 91 HA LYS 91 -0.036 10.235 8.003 784 HB2 LYS 91 2HB LYS 91 2.332 9.756 9.867 785 HB3 LYS 91 3HB LYS 91 1.106 10.997 10.114 786 HG2 LYS 91 2HG LYS 91 -0.626 9.291 10.392 787 HG3 LYS 91 3HG LYS 91 0.538 8.019 10.020 788 HD2 LYS 91 2HD LYS 91 0.159 8.134 12.438 789 HD3 LYS 91 3HD LYS 91 1.822 8.586 12.062 790 HE2 LYS 91 2HE LYS 91 1.250 10.965 12.329 791 HE3 LYS 91 3HE LYS 91 -0.436 10.538 12.638 792 HZ1 LYS 91 3HZ LYS 91 0.239 9.367 14.621 793 HZ2 LYS 91 1HZ LYS 91 0.795 10.962 14.686 794 HZ3 LYS 91 2HZ LYS 91 1.866 9.705 14.328 795 H GLN 92 H GLN 92 3.368 9.898 7.228 796 HA GLN 92 HA GLN 92 3.998 12.695 7.228 797 HB2 GLN 92 2HB GLN 92 5.671 10.906 7.719 798 HB3 GLN 92 3HB GLN 92 5.544 10.338 6.060 799 HG2 GLN 92 2HG GLN 92 7.576 11.714 6.500 800 HG3 GLN 92 3HG GLN 92 6.553 12.371 5.222 801 HE21 GLN 92 1HE2 GLN 92 5.572 14.377 5.536 802 HE22 GLN 92 2HE2 GLN 92 5.923 15.398 6.888 803 H ILE 93 H ILE 93 3.372 10.264 4.676 804 HA ILE 93 HA ILE 93 3.620 12.058 2.512 805 HB ILE 93 HB ILE 93 2.494 10.351 1.112 806 HG12 ILE 93 2HG1 ILE 93 2.061 8.943 3.781 807 HG13 ILE 93 3HG1 ILE 93 0.817 9.543 2.692 808 HG21 ILE 93 1HG2 ILE 93 4.617 9.244 2.990 809 HG22 ILE 93 2HG2 ILE 93 4.911 10.195 1.532 810 HG23 ILE 93 3HG2 ILE 93 4.199 8.587 1.406 811 HD11 ILE 93 3HD1 ILE 93 1.036 7.144 2.592 812 HD12 ILE 93 1HD1 ILE 93 2.719 7.292 2.098 813 HD13 ILE 93 2HD1 ILE 93 1.432 7.886 1.045 814 H LEU 94 H LEU 94 0.837 11.399 4.579 815 HA LEU 94 HA LEU 94 -1.189 12.721 3.251 816 HB2 LEU 94 2HB LEU 94 -0.471 12.862 6.195 817 HB3 LEU 94 3HB LEU 94 -1.935 13.585 5.562 818 HG LEU 94 HG LEU 94 -1.271 10.613 5.462 819 HD11 LEU 94 1HD1 LEU 94 -2.988 10.340 7.189 820 HD12 LEU 94 2HD1 LEU 94 -3.215 12.090 7.263 821 HD13 LEU 94 3HD1 LEU 94 -1.678 11.376 7.756 822 HD21 LEU 94 3HD2 LEU 94 -3.825 12.071 4.685 823 HD22 LEU 94 1HD2 LEU 94 -3.622 10.317 4.754 824 HD23 LEU 94 2HD2 LEU 94 -2.702 11.262 3.587 825 H GLU 95 H GLU 95 1.705 14.132 4.663 826 HA GLU 95 HA GLU 95 1.005 16.873 3.958 827 HB2 GLU 95 2HB GLU 95 3.660 15.665 4.890 828 HB3 GLU 95 3HB GLU 95 3.347 17.385 4.704 829 HG2 GLU 95 2HG GLU 95 1.833 15.586 6.619 830 HG3 GLU 95 3HG GLU 95 3.234 16.550 7.072 831 H ASP 96 H ASP 96 3.380 14.462 2.891 832 HA ASP 96 HA ASP 96 4.807 15.721 0.932 833 HB2 ASP 96 2HB ASP 96 5.313 13.443 1.642 834 HB3 ASP 96 3HB ASP 96 3.845 12.845 0.888 835 H LEU 97 H LEU 97 1.672 14.127 0.333 836 HA LEU 97 HA LEU 97 1.410 14.564 -2.434 837 HB2 LEU 97 2HB LEU 97 -0.533 14.059 -0.175 838 HB3 LEU 97 3HB LEU 97 -1.187 14.531 -1.732 839 HG LEU 97 HG LEU 97 -0.239 12.527 -2.795 840 HD11 LEU 97 1HD1 LEU 97 1.799 12.241 -1.477 841 HD12 LEU 97 2HD1 LEU 97 0.859 10.753 -1.544 842 HD13 LEU 97 3HD1 LEU 97 0.837 11.744 -0.079 843 HD21 LEU 97 3HD2 LEU 97 -1.768 11.847 -0.265 844 HD22 LEU 97 1HD2 LEU 97 -1.624 10.825 -1.700 845 HD23 LEU 97 2HD2 LEU 97 -2.470 12.367 -1.799 846 H LYS 98 H LYS 98 0.656 16.586 0.288 847 HA LYS 98 HA LYS 98 -0.837 18.626 -1.141 848 HB2 LYS 98 2HB LYS 98 0.374 18.997 1.637 849 HB3 LYS 98 3HB LYS 98 -1.052 19.775 0.962 850 HG2 LYS 98 2HG LYS 98 -0.811 16.865 1.744 851 HG3 LYS 98 3HG LYS 98 -1.623 18.117 2.680 852 HD2 LYS 98 2HD LYS 98 -3.292 18.387 0.863 853 HD3 LYS 98 3HD LYS 98 -2.466 17.142 -0.082 854 HE2 LYS 98 2HE LYS 98 -4.453 16.232 1.062 855 HE3 LYS 98 3HE LYS 98 -2.978 15.469 1.658 856 HZ1 LYS 98 3HZ LYS 98 -4.461 17.663 3.002 857 HZ2 LYS 98 1HZ LYS 98 -3.050 16.935 3.578 858 HZ3 LYS 98 2HZ LYS 98 -4.475 16.035 3.458 859 H LYS 99 H LYS 99 2.408 18.223 0.139 860 HA LYS 99 HA LYS 99 3.334 20.889 -0.085 861 HB2 LYS 99 2HB LYS 99 4.973 18.310 0.038 862 HB3 LYS 99 3HB LYS 99 5.591 19.927 0.330 863 HG2 LYS 99 2HG LYS 99 3.547 18.507 2.055 864 HG3 LYS 99 3HG LYS 99 5.268 18.613 2.389 865 HD2 LYS 99 2HD LYS 99 4.442 20.297 3.757 866 HD3 LYS 99 3HD LYS 99 4.856 21.218 2.316 867 HE2 LYS 99 2HE LYS 99 2.488 21.186 1.619 868 HE3 LYS 99 3HE LYS 99 2.077 20.227 3.041 869 HZ1 LYS 99 3HZ LYS 99 1.586 22.576 3.348 870 HZ2 LYS 99 1HZ LYS 99 3.212 22.976 3.103 871 HZ3 LYS 99 2HZ LYS 99 2.758 22.050 4.445 872 H LYS 100 H LYS 100 2.815 18.578 -2.556 873 HA LYS 100 HA LYS 100 3.720 18.036 -4.570 874 HB2 LYS 100 2HB LYS 100 3.089 20.476 -5.002 875 HB3 LYS 100 3HB LYS 100 4.728 20.934 -4.575 876 HG2 LYS 100 2HG LYS 100 4.549 20.957 -6.959 877 HG3 LYS 100 3HG LYS 100 5.550 19.570 -6.520 878 HD2 LYS 100 2HD LYS 100 3.655 18.055 -6.889 879 HD3 LYS 100 3HD LYS 100 2.587 19.425 -7.213 880 HE2 LYS 100 2HE LYS 100 3.895 19.981 -9.223 881 HE3 LYS 100 3HE LYS 100 5.005 18.649 -8.882 882 HZ1 LYS 100 3HZ LYS 100 3.150 17.104 -9.139 883 HZ2 LYS 100 1HZ LYS 100 3.377 18.024 -10.541 884 HZ3 LYS 100 2HZ LYS 100 2.109 18.388 -9.492 885 H GLY 101 H GLY 101 5.016 16.873 -2.790 886 HA2 GLY 101 2HA GLY 101 7.348 17.963 -1.691 887 HA3 GLY 101 3HA GLY 101 6.819 16.302 -1.549 888 H SER 102 H SER 102 9.414 17.875 -2.176 889 HA SER 102 HA SER 102 10.400 16.235 -4.434 890 HB2 SER 102 2HB SER 102 11.654 18.657 -3.037 891 HB3 SER 102 3HB SER 102 12.298 17.827 -4.455 892 HG SER 102 HG SER 102 10.133 19.570 -4.240 893 H LEU 103 H LEU 103 9.793 15.244 -1.710 894 HA LEU 103 HA LEU 103 12.203 14.643 -0.321 895 HB2 LEU 103 2HB LEU 103 9.483 13.272 -0.294 896 HB3 LEU 103 3HB LEU 103 10.812 12.785 0.740 897 HG LEU 103 HG LEU 103 9.366 14.111 2.093 898 HD11 LEU 103 1HD1 LEU 103 10.758 15.977 2.812 899 HD12 LEU 103 2HD1 LEU 103 11.688 15.898 1.315 900 HD13 LEU 103 3HD1 LEU 103 11.740 14.557 2.461 901 HD21 LEU 103 3HD2 LEU 103 8.600 16.375 1.559 902 HD22 LEU 103 1HD2 LEU 103 8.051 15.216 0.351 903 HD23 LEU 103 2HD2 LEU 103 9.397 16.297 -0.014 904 H GLU 104 H GLU 104 10.249 12.932 -2.723 905 HA GLU 104 HA GLU 104 12.398 11.035 -3.335 906 HB2 GLU 104 2HB GLU 104 9.631 11.398 -4.592 907 HB3 GLU 104 3HB GLU 104 10.770 10.120 -4.993 908 HG2 GLU 104 2HG GLU 104 9.491 10.524 -2.282 909 HG3 GLU 104 3HG GLU 104 8.957 9.359 -3.490 910 H HIS 105 H HIS 105 13.928 12.524 -4.000 911 HA HIS 105 HA HIS 105 13.736 13.414 -6.782 912 HB2 HIS 105 2HB HIS 105 13.032 15.352 -5.242 913 HB3 HIS 105 3HB HIS 105 14.645 15.306 -4.549 914 HD1 HIS 105 HD1 HIS 105 12.752 16.386 -7.591 915 HD2 HIS 105 HD2 HIS 105 16.656 16.493 -6.164 916 HE1 HIS 105 HE1 HIS 105 13.977 17.993 -9.079 917 HE2 HIS 105 HE2 HIS 105 16.366 17.876 -8.320 918 H HIS 106 H HIS 106 14.961 11.197 -5.534 919 HA HIS 106 HA HIS 106 17.759 11.732 -5.113 920 HB2 HIS 106 2HB HIS 106 17.989 9.203 -5.012 921 HB3 HIS 106 3HB HIS 106 16.932 9.923 -3.812 922 HD1 HIS 106 HD1 HIS 106 14.595 9.028 -3.665 923 HD2 HIS 106 HD2 HIS 106 16.548 7.734 -7.089 924 HE1 HIS 106 HE1 HIS 106 13.101 7.287 -4.663 925 HE2 HIS 106 HE2 HIS 106 14.261 6.581 -6.780 926 H HIS 107 H HIS 107 18.048 12.886 -7.037 927 HA HIS 107 HA HIS 107 18.970 11.305 -9.336 928 HB2 HIS 107 2HB HIS 107 17.140 13.754 -9.567 929 HB3 HIS 107 3HB HIS 107 17.945 12.970 -10.919 930 HD1 HIS 107 HD1 HIS 107 16.943 10.731 -11.755 931 HD2 HIS 107 HD2 HIS 107 14.826 12.463 -8.627 932 HE1 HIS 107 HE1 HIS 107 14.761 9.498 -11.651 933 HE2 HIS 107 HE2 HIS 107 13.460 10.635 -9.829 934 H HIS 108 H HIS 108 20.283 12.882 -10.803 935 HA HIS 108 HA HIS 108 21.930 14.406 -11.181 936 HB2 HIS 108 2HB HIS 108 20.078 15.998 -10.600 937 HB3 HIS 108 3HB HIS 108 20.587 15.969 -8.923 938 HD1 HIS 108 HD1 HIS 108 22.342 17.609 -8.238 939 HD2 HIS 108 HD2 HIS 108 21.956 17.351 -12.370 940 HE1 HIS 108 HE1 HIS 108 23.706 19.500 -9.163 941 HE2 HIS 108 HE2 HIS 108 23.349 19.403 -11.652 942 H HIS 109 H HIS 109 22.431 12.197 -9.432 943 HA HIS 109 HA HIS 109 24.920 13.020 -8.231 944 HB2 HIS 109 2HB HIS 109 24.500 12.460 -5.941 945 HB3 HIS 109 3HB HIS 109 23.117 13.437 -6.411 946 HD1 HIS 109 HD1 HIS 109 24.007 10.196 -4.961 947 HD2 HIS 109 HD2 HIS 109 20.692 11.817 -6.885 948 HE1 HIS 109 HE1 HIS 109 22.099 8.640 -4.462 949 HE2 HIS 109 HE2 HIS 109 20.152 9.565 -5.744 950 H HIS 110 H HIS 110 25.966 11.005 -7.148 951 HA HIS 110 HA HIS 110 25.360 8.567 -8.703 952 HB2 HIS 110 2HB HIS 110 27.695 9.474 -8.865 953 HB3 HIS 110 3HB HIS 110 27.883 9.276 -7.127 954 HD1 HIS 110 HD1 HIS 110 27.622 7.291 -10.311 955 HD2 HIS 110 HD2 HIS 110 28.455 6.649 -6.286 956 HE1 HIS 110 HE1 HIS 110 28.518 4.955 -10.165 957 HE2 HIS 110 HE2 HIS 110 28.856 4.535 -7.715 Start of MODEL 5 1 H1 MET 1 1H MET 1 2.132 15.967 -16.005 2 H2 MET 1 2H MET 1 1.800 14.827 -17.198 3 H3 MET 1 3H MET 1 3.307 14.837 -16.439 4 HA MET 1 HA MET 1 0.724 14.290 -15.117 5 HB2 MET 1 2HB MET 1 1.389 12.497 -16.702 6 HB3 MET 1 3HB MET 1 2.956 12.362 -15.921 7 HG2 MET 1 2HG MET 1 1.907 11.536 -13.886 8 HG3 MET 1 3HG MET 1 0.304 11.801 -14.570 9 HE1 MET 1 3HE MET 1 0.303 9.119 -17.501 10 HE2 MET 1 1HE MET 1 0.847 10.792 -17.634 11 HE3 MET 1 2HE MET 1 -0.623 10.408 -16.734 12 H GLY 2 H GLY 2 1.193 15.727 -13.446 13 HA2 GLY 2 2HA GLY 2 3.614 15.344 -11.810 14 HA3 GLY 2 3HA GLY 2 2.411 16.616 -11.650 15 H SER 3 H SER 3 2.317 13.058 -11.650 16 HA SER 3 HA SER 3 0.606 13.132 -9.224 17 HB2 SER 3 2HB SER 3 0.580 11.114 -11.519 18 HB3 SER 3 3HB SER 3 -0.483 11.092 -10.109 19 HG SER 3 HG SER 3 -0.917 13.418 -10.952 20 H LYS 4 H LYS 4 0.640 11.085 -8.018 21 HA LYS 4 HA LYS 4 3.122 9.537 -7.988 22 HB2 LYS 4 2HB LYS 4 3.812 11.205 -6.458 23 HB3 LYS 4 3HB LYS 4 2.199 11.439 -5.807 24 HG2 LYS 4 2HG LYS 4 2.364 9.586 -4.364 25 HG3 LYS 4 3HG LYS 4 3.662 8.841 -5.297 26 HD2 LYS 4 2HD LYS 4 4.348 9.856 -3.051 27 HD3 LYS 4 3HD LYS 4 5.295 10.360 -4.450 28 HE2 LYS 4 2HE LYS 4 3.941 12.458 -4.571 29 HE3 LYS 4 3HE LYS 4 3.099 11.965 -3.099 30 HZ1 LYS 4 3HZ LYS 4 4.913 13.500 -2.632 31 HZ2 LYS 4 1HZ LYS 4 6.023 12.443 -3.348 32 HZ3 LYS 4 2HZ LYS 4 5.215 12.006 -1.927 33 H ILE 5 H ILE 5 2.776 7.457 -7.201 34 HA ILE 5 HA ILE 5 0.115 6.842 -6.038 35 HB ILE 5 HB ILE 5 0.353 4.528 -6.808 36 HG12 ILE 5 2HG1 ILE 5 2.964 5.443 -8.110 37 HG13 ILE 5 3HG1 ILE 5 2.813 4.303 -6.779 38 HG21 ILE 5 1HG2 ILE 5 0.743 6.497 -9.107 39 HG22 ILE 5 2HG2 ILE 5 -0.788 6.141 -8.296 40 HG23 ILE 5 3HG2 ILE 5 0.022 4.886 -9.230 41 HD11 ILE 5 3HD1 ILE 5 1.756 2.695 -8.241 42 HD12 ILE 5 1HD1 ILE 5 3.292 3.230 -8.912 43 HD13 ILE 5 2HD1 ILE 5 1.785 3.851 -9.575 44 H ILE 6 H ILE 6 0.089 5.324 -4.326 45 HA ILE 6 HA ILE 6 2.586 5.296 -2.709 46 HB ILE 6 HB ILE 6 -0.335 5.523 -1.820 47 HG12 ILE 6 2HG1 ILE 6 0.638 7.666 -2.552 48 HG13 ILE 6 3HG1 ILE 6 0.388 7.687 -0.815 49 HG21 ILE 6 1HG2 ILE 6 0.470 5.548 0.509 50 HG22 ILE 6 2HG2 ILE 6 2.109 5.195 -0.040 51 HG23 ILE 6 3HG2 ILE 6 0.824 4.010 -0.278 52 HD11 ILE 6 3HD1 ILE 6 3.034 7.311 -2.229 53 HD12 ILE 6 1HD1 ILE 6 2.796 7.304 -0.480 54 HD13 ILE 6 2HD1 ILE 6 2.474 8.767 -1.407 55 H VAL 7 H VAL 7 3.175 3.414 -1.769 56 HA VAL 7 HA VAL 7 1.455 1.023 -2.073 57 HB VAL 7 HB VAL 7 4.517 1.179 -2.140 58 HG11 VAL 7 1HG1 VAL 7 4.468 -1.285 -2.424 59 HG12 VAL 7 2HG1 VAL 7 2.728 -1.286 -2.133 60 HG13 VAL 7 3HG1 VAL 7 3.838 -0.787 -0.856 61 HG21 VAL 7 3HG2 VAL 7 4.298 0.241 -4.424 62 HG22 VAL 7 1HG2 VAL 7 3.436 1.774 -4.288 63 HG23 VAL 7 2HG2 VAL 7 2.537 0.255 -4.280 64 H ILE 8 H ILE 8 0.660 0.467 -0.111 65 HA ILE 8 HA ILE 8 2.142 1.224 2.331 66 HB ILE 8 HB ILE 8 -0.849 0.699 1.980 67 HG12 ILE 8 2HG1 ILE 8 0.727 3.227 2.672 68 HG13 ILE 8 3HG1 ILE 8 -0.156 2.924 1.181 69 HG21 ILE 8 1HG2 ILE 8 -0.122 -0.210 4.153 70 HG22 ILE 8 2HG2 ILE 8 -1.088 1.242 4.394 71 HG23 ILE 8 3HG2 ILE 8 0.668 1.320 4.553 72 HD11 ILE 8 3HD1 ILE 8 -2.258 2.981 2.438 73 HD12 ILE 8 1HD1 ILE 8 -1.329 4.470 2.602 74 HD13 ILE 8 2HD1 ILE 8 -1.353 3.300 3.920 75 H ILE 9 H ILE 9 2.951 -0.310 3.486 76 HA ILE 9 HA ILE 9 2.450 -3.153 2.942 77 HB ILE 9 HB ILE 9 4.784 -1.825 4.430 78 HG12 ILE 9 2HG1 ILE 9 6.186 -2.947 2.569 79 HG13 ILE 9 3HG1 ILE 9 4.679 -3.233 1.710 80 HG21 ILE 9 1HG2 ILE 9 5.740 -4.094 4.666 81 HG22 ILE 9 2HG2 ILE 9 4.286 -4.788 3.949 82 HG23 ILE 9 3HG2 ILE 9 4.192 -3.948 5.497 83 HD11 ILE 9 3HD1 ILE 9 5.882 -1.296 0.854 84 HD12 ILE 9 1HD1 ILE 9 5.811 -0.526 2.438 85 HD13 ILE 9 2HD1 ILE 9 4.326 -0.819 1.529 86 H SER 10 H SER 10 0.667 -3.589 4.147 87 HA SER 10 HA SER 10 0.558 -2.689 6.966 88 HB2 SER 10 2HB SER 10 -1.993 -2.954 6.643 89 HB3 SER 10 3HB SER 10 -1.208 -1.593 5.844 90 HG SER 10 HG SER 10 -2.752 -3.130 4.657 91 H SER 11 H SER 11 0.401 -4.078 8.472 92 HA SER 11 HA SER 11 -0.274 -6.932 7.989 93 HB2 SER 11 2HB SER 11 1.564 -7.590 9.536 94 HB3 SER 11 3HB SER 11 2.182 -6.734 8.126 95 HG SER 11 HG SER 11 2.592 -4.968 9.354 96 H ASP 12 H ASP 12 -1.927 -7.509 9.229 97 HA ASP 12 HA ASP 12 -3.250 -7.940 10.993 98 HB2 ASP 12 2HB ASP 12 -1.008 -6.666 12.617 99 HB3 ASP 12 3HB ASP 12 -2.418 -7.420 13.351 100 H ASP 13 H ASP 13 -1.967 -4.728 11.863 101 HA ASP 13 HA ASP 13 -4.399 -3.867 13.047 102 HB2 ASP 13 2HB ASP 13 -2.094 -3.225 13.814 103 HB3 ASP 13 3HB ASP 13 -1.902 -2.250 12.360 104 H THR 14 H THR 14 -5.883 -2.375 12.370 105 HA THR 14 HA THR 14 -6.391 -2.283 9.551 106 HB THR 14 HB THR 14 -7.966 -0.984 11.828 107 HG1 THR 14 HG1 THR 14 -7.569 -3.559 11.284 108 HG21 THR 14 3HG2 THR 14 -8.861 -1.742 9.014 109 HG22 THR 14 1HG2 THR 14 -8.620 -0.097 9.602 110 HG23 THR 14 2HG2 THR 14 -9.902 -1.098 10.287 111 H THR 15 H THR 15 -4.981 0.045 11.796 112 HA THR 15 HA THR 15 -5.935 2.437 10.768 113 HB THR 15 HB THR 15 -3.181 2.030 12.003 114 HG1 THR 15 HG1 THR 15 -4.272 1.553 13.739 115 HG21 THR 15 3HG2 THR 15 -3.487 4.274 11.011 116 HG22 THR 15 1HG2 THR 15 -3.448 4.365 12.771 117 HG23 THR 15 2HG2 THR 15 -4.988 4.478 11.915 118 H LEU 16 H LEU 16 -3.189 0.506 9.664 119 HA LEU 16 HA LEU 16 -2.089 2.542 7.927 120 HB2 LEU 16 2HB LEU 16 -1.503 -0.453 7.932 121 HB3 LEU 16 3HB LEU 16 -0.601 0.767 7.045 122 HG LEU 16 HG LEU 16 -0.058 1.811 9.359 123 HD11 LEU 16 1HD1 LEU 16 -1.706 0.619 10.722 124 HD12 LEU 16 2HD1 LEU 16 -0.069 0.320 11.302 125 HD13 LEU 16 3HD1 LEU 16 -0.913 -0.920 10.369 126 HD21 LEU 16 3HD2 LEU 16 1.875 0.328 9.687 127 HD22 LEU 16 1HD2 LEU 16 1.608 0.667 7.978 128 HD23 LEU 16 2HD2 LEU 16 1.127 -0.891 8.651 129 H GLU 17 H GLU 17 -4.295 -0.112 7.632 130 HA GLU 17 HA GLU 17 -4.609 -0.271 4.814 131 HB2 GLU 17 2HB GLU 17 -6.571 -0.982 7.042 132 HB3 GLU 17 3HB GLU 17 -6.655 -1.550 5.382 133 HG2 GLU 17 2HG GLU 17 -4.698 -2.914 5.651 134 HG3 GLU 17 3HG GLU 17 -4.318 -2.153 7.198 135 H GLU 18 H GLU 18 -6.474 1.416 7.354 136 HA GLU 18 HA GLU 18 -8.435 2.470 5.528 137 HB2 GLU 18 2HB GLU 18 -9.482 3.491 7.458 138 HB3 GLU 18 3HB GLU 18 -8.979 1.861 7.891 139 HG2 GLU 18 2HG GLU 18 -7.118 2.670 9.162 140 HG3 GLU 18 3HG GLU 18 -7.317 4.309 8.554 141 H LEU 19 H LEU 19 -5.442 3.689 6.891 142 HA LEU 19 HA LEU 19 -5.767 6.447 6.413 143 HB2 LEU 19 2HB LEU 19 -3.347 4.653 6.639 144 HB3 LEU 19 3HB LEU 19 -3.125 6.319 6.128 145 HG LEU 19 HG LEU 19 -4.500 5.560 8.742 146 HD11 LEU 19 1HD1 LEU 19 -2.178 4.759 8.805 147 HD12 LEU 19 2HD1 LEU 19 -2.425 6.101 9.916 148 HD13 LEU 19 3HD1 LEU 19 -1.593 6.372 8.382 149 HD21 LEU 19 3HD2 LEU 19 -4.107 7.913 9.355 150 HD22 LEU 19 1HD2 LEU 19 -5.098 7.781 7.903 151 HD23 LEU 19 2HD2 LEU 19 -3.393 8.218 7.769 152 H ALA 20 H ALA 20 -4.921 3.806 4.275 153 HA ALA 20 HA ALA 20 -4.032 5.088 1.979 154 HB1 ALA 20 3HB ALA 20 -5.837 2.650 2.153 155 HB2 ALA 20 1HB ALA 20 -4.077 2.645 2.292 156 HB3 ALA 20 2HB ALA 20 -4.835 3.104 0.768 157 H ARG 21 H ARG 21 -7.318 4.797 3.226 158 HA ARG 21 HA ARG 21 -8.714 5.715 0.907 159 HB2 ARG 21 2HB ARG 21 -9.772 4.347 2.682 160 HB3 ARG 21 3HB ARG 21 -9.614 5.684 3.817 161 HG2 ARG 21 2HG ARG 21 -11.214 7.013 2.592 162 HG3 ARG 21 3HG ARG 21 -11.246 5.856 1.257 163 HD2 ARG 21 2HD ARG 21 -13.243 5.687 2.744 164 HD3 ARG 21 3HD ARG 21 -12.320 4.185 2.658 165 HE ARG 21 HE ARG 21 -11.926 6.059 4.910 166 HH11 ARG 21 1HH1 ARG 21 -12.951 2.871 3.818 167 HH12 ARG 21 2HH1 ARG 21 -13.028 2.224 5.420 168 HH21 ARG 21 1HH2 ARG 21 -12.035 5.178 6.995 169 HH22 ARG 21 2HH2 ARG 21 -12.509 3.525 7.222 170 H LYS 22 H LYS 22 -7.233 7.338 3.640 171 HA LYS 22 HA LYS 22 -8.222 9.969 3.105 172 HB2 LYS 22 2HB LYS 22 -5.725 9.056 4.599 173 HB3 LYS 22 3HB LYS 22 -6.292 10.717 4.548 174 HG2 LYS 22 2HG LYS 22 -7.793 8.384 5.779 175 HG3 LYS 22 3HG LYS 22 -6.870 9.609 6.656 176 HD2 LYS 22 2HD LYS 22 -8.422 11.359 5.640 177 HD3 LYS 22 3HD LYS 22 -9.416 10.028 5.042 178 HE2 LYS 22 2HE LYS 22 -8.797 10.652 7.947 179 HE3 LYS 22 3HE LYS 22 -10.334 10.920 7.126 180 HZ1 LYS 22 3HZ LYS 22 -10.535 8.537 6.824 181 HZ2 LYS 22 1HZ LYS 22 -10.369 8.929 8.462 182 HZ3 LYS 22 2HZ LYS 22 -9.059 8.293 7.611 183 H ILE 23 H ILE 23 -5.220 8.214 2.207 184 HA ILE 23 HA ILE 23 -3.943 10.297 0.811 185 HB ILE 23 HB ILE 23 -3.611 7.277 0.690 186 HG12 ILE 23 2HG1 ILE 23 -1.215 8.039 1.477 187 HG13 ILE 23 3HG1 ILE 23 -1.977 9.582 1.823 188 HG21 ILE 23 1HG2 ILE 23 -2.021 9.260 -0.979 189 HG22 ILE 23 2HG2 ILE 23 -3.120 8.020 -1.588 190 HG23 ILE 23 3HG2 ILE 23 -1.634 7.550 -0.770 191 HD11 ILE 23 3HD1 ILE 23 -1.760 8.218 3.798 192 HD12 ILE 23 1HD1 ILE 23 -2.693 6.924 3.043 193 HD13 ILE 23 2HD1 ILE 23 -3.463 8.470 3.412 194 H LYS 24 H LYS 24 -6.020 7.661 -0.460 195 HA LYS 24 HA LYS 24 -5.659 8.119 -3.193 196 HB2 LYS 24 2HB LYS 24 -7.566 6.692 -3.577 197 HB3 LYS 24 3HB LYS 24 -6.718 6.079 -2.161 198 HG2 LYS 24 2HG LYS 24 -8.371 7.164 -0.694 199 HG3 LYS 24 3HG LYS 24 -9.227 7.780 -2.106 200 HD2 LYS 24 2HD LYS 24 -8.896 4.875 -1.294 201 HD3 LYS 24 3HD LYS 24 -10.381 5.820 -1.237 202 HE2 LYS 24 2HE LYS 24 -8.873 4.971 -3.725 203 HE3 LYS 24 3HE LYS 24 -10.401 4.308 -3.151 204 HZ1 LYS 24 3HZ LYS 24 -9.917 7.058 -4.147 205 HZ2 LYS 24 1HZ LYS 24 -11.374 6.533 -3.463 206 HZ3 LYS 24 2HZ LYS 24 -10.814 5.841 -4.899 207 H ASP 25 H ASP 25 -7.549 9.920 -0.951 208 HA ASP 25 HA ASP 25 -9.607 11.037 -2.454 209 HB2 ASP 25 2HB ASP 25 -9.086 11.195 0.097 210 HB3 ASP 25 3HB ASP 25 -8.075 12.571 -0.315 211 H GLU 26 H GLU 26 -6.193 11.831 -2.385 212 HA GLU 26 HA GLU 26 -6.264 14.368 -3.666 213 HB2 GLU 26 2HB GLU 26 -4.005 12.340 -3.604 214 HB3 GLU 26 3HB GLU 26 -3.837 14.042 -4.006 215 HG2 GLU 26 2HG GLU 26 -4.644 12.907 -1.306 216 HG3 GLU 26 3HG GLU 26 -3.066 13.571 -1.726 217 H GLY 27 H GLY 27 -6.594 11.172 -4.894 218 HA2 GLY 27 2HA GLY 27 -7.713 10.826 -6.981 219 HA3 GLY 27 3HA GLY 27 -6.842 12.195 -7.653 220 H LEU 28 H LEU 28 -5.578 9.429 -5.766 221 HA LEU 28 HA LEU 28 -4.087 8.516 -8.167 222 HB2 LEU 28 2HB LEU 28 -2.165 7.925 -6.763 223 HB3 LEU 28 3HB LEU 28 -2.482 9.647 -6.710 224 HG LEU 28 HG LEU 28 -3.513 7.862 -4.471 225 HD11 LEU 28 1HD1 LEU 28 -1.116 7.334 -4.660 226 HD12 LEU 28 2HD1 LEU 28 -1.455 8.249 -3.197 227 HD13 LEU 28 3HD1 LEU 28 -0.720 9.053 -4.585 228 HD21 LEU 28 3HD2 LEU 28 -2.662 10.772 -4.531 229 HD22 LEU 28 1HD2 LEU 28 -3.321 9.903 -3.141 230 HD23 LEU 28 2HD2 LEU 28 -4.327 10.178 -4.561 231 H GLU 29 H GLU 29 -3.768 6.328 -8.385 232 HA GLU 29 HA GLU 29 -5.394 4.440 -6.967 233 HB2 GLU 29 2HB GLU 29 -4.710 4.071 -9.331 234 HB3 GLU 29 3HB GLU 29 -3.017 4.041 -8.858 235 HG2 GLU 29 2HG GLU 29 -3.716 1.787 -9.260 236 HG3 GLU 29 3HG GLU 29 -3.467 1.971 -7.526 237 H VAL 30 H VAL 30 -4.916 3.606 -5.010 238 HA VAL 30 HA VAL 30 -2.154 3.716 -3.962 239 HB VAL 30 HB VAL 30 -4.767 3.289 -2.410 240 HG11 VAL 30 1HG1 VAL 30 -1.921 3.689 -1.384 241 HG12 VAL 30 2HG1 VAL 30 -2.851 2.191 -1.316 242 HG13 VAL 30 3HG1 VAL 30 -3.373 3.590 -0.382 243 HG21 VAL 30 3HG2 VAL 30 -3.007 5.771 -2.575 244 HG22 VAL 30 1HG2 VAL 30 -4.436 5.577 -1.552 245 HG23 VAL 30 2HG2 VAL 30 -4.602 5.583 -3.307 246 H TYR 31 H TYR 31 -1.092 1.899 -3.692 247 HA TYR 31 HA TYR 31 -2.325 -0.717 -4.254 248 HB2 TYR 31 2HB TYR 31 0.603 0.173 -4.399 249 HB3 TYR 31 3HB TYR 31 0.019 -1.454 -4.754 250 HD1 TYR 31 HD2 TYR 31 -0.170 2.109 -5.907 251 HD2 TYR 31 HD1 TYR 31 -0.779 -1.988 -6.973 252 HE1 TYR 31 HE2 TYR 31 -0.538 2.763 -8.242 253 HE2 TYR 31 HE1 TYR 31 -1.152 -1.316 -9.306 254 HH TYR 31 HH TYR 31 -1.896 0.740 -10.530 255 H ILE 32 H ILE 32 -2.305 -2.198 -2.630 256 HA ILE 32 HA ILE 32 -0.891 -1.480 -0.101 257 HB ILE 32 HB ILE 32 -3.419 -3.179 -0.410 258 HG12 ILE 32 2HG1 ILE 32 -3.878 -0.773 -0.925 259 HG13 ILE 32 3HG1 ILE 32 -4.719 -1.331 0.512 260 HG21 ILE 32 1HG2 ILE 32 -2.103 -3.834 1.542 261 HG22 ILE 32 2HG2 ILE 32 -3.581 -3.025 2.054 262 HG23 ILE 32 3HG2 ILE 32 -2.044 -2.159 2.105 263 HD11 ILE 32 3HD1 ILE 32 -2.218 0.360 0.478 264 HD12 ILE 32 1HD1 ILE 32 -3.081 -0.187 1.919 265 HD13 ILE 32 2HD1 ILE 32 -3.860 0.919 0.791 266 H LEU 33 H LEU 33 0.836 -2.823 0.236 267 HA LEU 33 HA LEU 33 0.779 -5.578 -0.783 268 HB2 LEU 33 2HB LEU 33 3.043 -3.969 0.469 269 HB3 LEU 33 3HB LEU 33 3.162 -5.658 -0.016 270 HG LEU 33 HG LEU 33 2.808 -3.241 -1.805 271 HD11 LEU 33 1HD1 LEU 33 4.879 -4.021 -2.865 272 HD12 LEU 33 2HD1 LEU 33 4.964 -5.371 -1.733 273 HD13 LEU 33 3HD1 LEU 33 5.113 -3.715 -1.144 274 HD21 LEU 33 3HD2 LEU 33 1.261 -4.915 -2.650 275 HD22 LEU 33 1HD2 LEU 33 2.529 -6.147 -2.629 276 HD23 LEU 33 2HD2 LEU 33 2.640 -4.774 -3.730 277 H LEU 34 H LEU 34 -0.353 -6.792 0.490 278 HA LEU 34 HA LEU 34 -0.514 -6.267 3.360 279 HB2 LEU 34 2HB LEU 34 -2.434 -6.968 1.521 280 HB3 LEU 34 3HB LEU 34 -2.009 -8.560 2.114 281 HG LEU 34 HG LEU 34 -3.960 -7.676 3.308 282 HD11 LEU 34 1HD1 LEU 34 -2.520 -9.144 4.623 283 HD12 LEU 34 2HD1 LEU 34 -3.252 -7.914 5.645 284 HD13 LEU 34 3HD1 LEU 34 -1.558 -7.764 5.165 285 HD21 LEU 34 3HD2 LEU 34 -3.507 -5.282 3.037 286 HD22 LEU 34 1HD2 LEU 34 -2.189 -5.382 4.208 287 HD23 LEU 34 2HD2 LEU 34 -3.854 -5.679 4.716 288 H LYS 35 H LYS 35 0.323 -7.613 4.865 289 HA LYS 35 HA LYS 35 1.374 -10.252 4.121 290 HB2 LYS 35 2HB LYS 35 3.442 -9.814 5.531 291 HB3 LYS 35 3HB LYS 35 3.388 -8.942 4.006 292 HG2 LYS 35 2HG LYS 35 2.930 -6.859 5.088 293 HG3 LYS 35 3HG LYS 35 2.556 -7.651 6.617 294 HD2 LYS 35 2HD LYS 35 4.748 -6.579 6.755 295 HD3 LYS 35 3HD LYS 35 4.923 -8.327 6.859 296 HE2 LYS 35 2HE LYS 35 5.727 -8.449 4.583 297 HE3 LYS 35 3HE LYS 35 5.361 -6.746 4.305 298 HZ1 LYS 35 3HZ LYS 35 7.722 -7.097 4.714 299 HZ2 LYS 35 1HZ LYS 35 7.388 -7.780 6.225 300 HZ3 LYS 35 2HZ LYS 35 7.038 -6.151 5.934 301 H ASP 36 H ASP 36 0.354 -11.629 5.412 302 HA ASP 36 HA ASP 36 0.242 -11.058 8.314 303 HB2 ASP 36 2HB ASP 36 -1.923 -12.366 6.620 304 HB3 ASP 36 3HB ASP 36 -1.828 -12.624 8.360 305 H LYS 37 H LYS 37 0.396 -12.922 9.629 306 HA LYS 37 HA LYS 37 2.597 -14.525 9.084 307 HB2 LYS 37 2HB LYS 37 1.591 -13.880 11.356 308 HB3 LYS 37 3HB LYS 37 0.424 -15.173 11.143 309 HG2 LYS 37 2HG LYS 37 3.416 -15.693 11.120 310 HG3 LYS 37 3HG LYS 37 2.501 -15.624 12.625 311 HD2 LYS 37 2HD LYS 37 1.142 -17.525 11.940 312 HD3 LYS 37 3HD LYS 37 1.883 -17.526 10.340 313 HE2 LYS 37 2HE LYS 37 4.079 -18.079 11.384 314 HE3 LYS 37 3HE LYS 37 3.281 -18.168 12.959 315 HZ1 LYS 37 3HZ LYS 37 1.894 -19.962 12.098 316 HZ2 LYS 37 1HZ LYS 37 3.529 -20.357 11.959 317 HZ3 LYS 37 2HZ LYS 37 2.658 -19.866 10.597 318 H ASP 38 H ASP 38 -0.844 -15.187 8.599 319 HA ASP 38 HA ASP 38 -0.181 -17.778 7.328 320 HB2 ASP 38 2HB ASP 38 -2.317 -18.678 8.043 321 HB3 ASP 38 3HB ASP 38 -1.499 -18.038 9.459 322 H GLU 39 H GLU 39 -0.664 -17.900 5.255 323 HA GLU 39 HA GLU 39 -1.420 -15.720 3.726 324 HB2 GLU 39 2HB GLU 39 -0.094 -17.841 3.045 325 HB3 GLU 39 3HB GLU 39 -1.661 -18.550 2.656 326 HG2 GLU 39 2HG GLU 39 -2.094 -16.666 1.098 327 HG3 GLU 39 3HG GLU 39 -0.500 -16.014 1.460 328 H LYS 40 H LYS 40 -3.605 -17.768 5.399 329 HA LYS 40 HA LYS 40 -5.846 -17.566 3.597 330 HB2 LYS 40 2HB LYS 40 -5.710 -19.395 5.229 331 HB3 LYS 40 3HB LYS 40 -5.773 -18.248 6.567 332 HG2 LYS 40 2HG LYS 40 -8.050 -17.593 5.945 333 HG3 LYS 40 3HG LYS 40 -7.988 -18.640 4.523 334 HD2 LYS 40 2HD LYS 40 -7.802 -20.623 5.994 335 HD3 LYS 40 3HD LYS 40 -7.866 -19.574 7.416 336 HE2 LYS 40 2HE LYS 40 -10.132 -18.883 6.872 337 HE3 LYS 40 3HE LYS 40 -10.070 -19.742 5.331 338 HZ1 LYS 40 3HZ LYS 40 -9.953 -21.000 8.016 339 HZ2 LYS 40 1HZ LYS 40 -9.896 -21.820 6.539 340 HZ3 LYS 40 2HZ LYS 40 -11.289 -20.977 6.985 341 H ARG 41 H ARG 41 -5.221 -16.029 6.791 342 HA ARG 41 HA ARG 41 -7.386 -14.162 6.607 343 HB2 ARG 41 2HB ARG 41 -4.935 -14.168 8.413 344 HB3 ARG 41 3HB ARG 41 -6.320 -13.091 8.606 345 HG2 ARG 41 2HG ARG 41 -7.774 -15.042 9.039 346 HG3 ARG 41 3HG ARG 41 -6.389 -16.118 8.839 347 HD2 ARG 41 2HD ARG 41 -5.280 -14.871 10.766 348 HD3 ARG 41 3HD ARG 41 -6.819 -14.050 11.017 349 HE ARG 41 HE ARG 41 -7.813 -16.139 11.622 350 HH11 ARG 41 1HH1 ARG 41 -4.309 -16.295 11.322 351 HH12 ARG 41 2HH1 ARG 41 -4.183 -17.725 12.295 352 HH21 ARG 41 1HH2 ARG 41 -7.610 -17.994 12.900 353 HH22 ARG 41 2HH2 ARG 41 -6.048 -18.687 13.192 354 H LEU 42 H LEU 42 -4.022 -14.129 5.703 355 HA LEU 42 HA LEU 42 -3.553 -11.523 4.940 356 HB2 LEU 42 2HB LEU 42 -1.861 -13.241 4.846 357 HB3 LEU 42 3HB LEU 42 -2.791 -14.182 3.697 358 HG LEU 42 HG LEU 42 -2.336 -12.557 1.925 359 HD11 LEU 42 1HD1 LEU 42 -2.288 -10.509 3.196 360 HD12 LEU 42 2HD1 LEU 42 -0.796 -10.682 2.279 361 HD13 LEU 42 3HD1 LEU 42 -0.804 -11.006 4.016 362 HD21 LEU 42 3HD2 LEU 42 0.100 -12.911 1.702 363 HD22 LEU 42 1HD2 LEU 42 -0.730 -14.371 2.233 364 HD23 LEU 42 2HD2 LEU 42 0.185 -13.409 3.394 365 H GLU 43 H GLU 43 -5.003 -14.118 2.924 366 HA GLU 43 HA GLU 43 -5.531 -12.379 0.715 367 HB2 GLU 43 2HB GLU 43 -5.059 -14.827 0.500 368 HB3 GLU 43 3HB GLU 43 -6.639 -15.175 1.200 369 HG2 GLU 43 2HG GLU 43 -7.765 -14.166 -0.695 370 HG3 GLU 43 3HG GLU 43 -6.238 -13.575 -1.348 371 H GLU 44 H GLU 44 -7.412 -13.384 3.515 372 HA GLU 44 HA GLU 44 -10.006 -12.538 2.722 373 HB2 GLU 44 2HB GLU 44 -8.685 -12.547 5.476 374 HB3 GLU 44 3HB GLU 44 -10.394 -12.216 5.218 375 HG2 GLU 44 2HG GLU 44 -8.992 -14.815 4.542 376 HG3 GLU 44 3HG GLU 44 -9.956 -14.518 5.988 377 H LYS 45 H LYS 45 -7.355 -10.909 4.382 378 HA LYS 45 HA LYS 45 -8.486 -8.388 4.813 379 HB2 LYS 45 2HB LYS 45 -6.297 -9.448 5.757 380 HB3 LYS 45 3HB LYS 45 -5.524 -8.882 4.285 381 HG2 LYS 45 2HG LYS 45 -5.035 -7.127 5.685 382 HG3 LYS 45 3HG LYS 45 -6.552 -6.546 5.006 383 HD2 LYS 45 2HD LYS 45 -6.768 -6.136 7.309 384 HD3 LYS 45 3HD LYS 45 -7.679 -7.625 7.078 385 HE2 LYS 45 2HE LYS 45 -4.800 -7.522 8.057 386 HE3 LYS 45 3HE LYS 45 -6.197 -7.606 9.124 387 HZ1 LYS 45 3HZ LYS 45 -5.282 -9.774 8.825 388 HZ2 LYS 45 1HZ LYS 45 -5.340 -9.648 7.145 389 HZ3 LYS 45 2HZ LYS 45 -6.774 -9.732 8.034 390 H ILE 46 H ILE 46 -6.594 -9.695 2.139 391 HA ILE 46 HA ILE 46 -6.143 -7.400 0.609 392 HB ILE 46 HB ILE 46 -6.354 -10.329 -0.238 393 HG12 ILE 46 2HG1 ILE 46 -3.905 -8.543 0.209 394 HG13 ILE 46 3HG1 ILE 46 -4.494 -9.748 1.345 395 HG21 ILE 46 1HG2 ILE 46 -6.794 -8.935 -2.223 396 HG22 ILE 46 2HG2 ILE 46 -5.217 -9.710 -2.360 397 HG23 ILE 46 3HG2 ILE 46 -5.325 -8.004 -1.921 398 HD11 ILE 46 3HD1 ILE 46 -4.017 -11.505 -0.313 399 HD12 ILE 46 1HD1 ILE 46 -2.590 -10.581 0.156 400 HD13 ILE 46 2HD1 ILE 46 -3.364 -10.271 -1.395 401 H GLN 47 H GLN 47 -8.822 -9.795 0.389 402 HA GLN 47 HA GLN 47 -10.092 -8.557 -1.861 403 HB2 GLN 47 2HB GLN 47 -11.361 -10.410 0.205 404 HB3 GLN 47 3HB GLN 47 -11.996 -10.053 -1.395 405 HG2 GLN 47 2HG GLN 47 -9.556 -11.695 -0.681 406 HG3 GLN 47 3HG GLN 47 -11.030 -12.229 -1.478 407 HE21 GLN 47 1HE2 GLN 47 -7.953 -10.712 -1.884 408 HE22 GLN 47 2HE2 GLN 47 -7.964 -10.639 -3.609 409 H LYS 48 H LYS 48 -10.532 -8.255 1.662 410 HA LYS 48 HA LYS 48 -12.888 -6.660 1.669 411 HB2 LYS 48 2HB LYS 48 -10.655 -6.970 3.709 412 HB3 LYS 48 3HB LYS 48 -12.093 -6.005 4.025 413 HG2 LYS 48 2HG LYS 48 -12.074 -8.975 3.405 414 HG3 LYS 48 3HG LYS 48 -12.208 -8.273 5.016 415 HD2 LYS 48 2HD LYS 48 -14.214 -7.899 2.754 416 HD3 LYS 48 3HD LYS 48 -14.402 -9.004 4.114 417 HE2 LYS 48 2HE LYS 48 -14.356 -7.048 5.666 418 HE3 LYS 48 3HE LYS 48 -14.265 -5.971 4.272 419 HZ1 LYS 48 3HZ LYS 48 -16.524 -6.131 5.028 420 HZ2 LYS 48 1HZ LYS 48 -16.500 -7.817 4.931 421 HZ3 LYS 48 2HZ LYS 48 -16.407 -6.889 3.522 422 H LEU 49 H LEU 49 -9.476 -5.813 1.415 423 HA LEU 49 HA LEU 49 -9.931 -2.953 1.619 424 HB2 LEU 49 2HB LEU 49 -7.480 -4.578 0.872 425 HB3 LEU 49 3HB LEU 49 -7.484 -2.825 1.021 426 HG LEU 49 HG LEU 49 -8.077 -4.762 3.292 427 HD11 LEU 49 1HD1 LEU 49 -5.738 -4.908 2.617 428 HD12 LEU 49 2HD1 LEU 49 -5.875 -4.110 4.182 429 HD13 LEU 49 3HD1 LEU 49 -5.566 -3.153 2.729 430 HD21 LEU 49 3HD2 LEU 49 -9.243 -2.616 3.554 431 HD22 LEU 49 1HD2 LEU 49 -7.720 -1.746 3.338 432 HD23 LEU 49 2HD2 LEU 49 -7.959 -2.791 4.745 433 H LYS 50 H LYS 50 -9.460 -5.313 -1.039 434 HA LYS 50 HA LYS 50 -9.450 -3.358 -3.125 435 HB2 LYS 50 2HB LYS 50 -10.203 -6.312 -3.260 436 HB3 LYS 50 3HB LYS 50 -9.992 -5.262 -4.659 437 HG2 LYS 50 2HG LYS 50 -7.596 -4.856 -3.752 438 HG3 LYS 50 3HG LYS 50 -7.898 -6.246 -2.716 439 HD2 LYS 50 2HD LYS 50 -6.671 -6.939 -4.710 440 HD3 LYS 50 3HD LYS 50 -8.286 -7.652 -4.731 441 HE2 LYS 50 2HE LYS 50 -9.046 -6.121 -6.393 442 HE3 LYS 50 3HE LYS 50 -7.631 -5.081 -6.204 443 HZ1 LYS 50 3HZ LYS 50 -7.647 -6.539 -8.214 444 HZ2 LYS 50 1HZ LYS 50 -7.458 -7.872 -7.194 445 HZ3 LYS 50 2HZ LYS 50 -6.262 -6.673 -7.253 446 H SER 51 H SER 51 -11.995 -5.000 -1.349 447 HA SER 51 HA SER 51 -14.254 -4.090 -2.752 448 HB2 SER 51 2HB SER 51 -14.401 -5.807 -1.011 449 HB3 SER 51 3HB SER 51 -13.876 -4.661 0.220 450 HG SER 51 HG SER 51 -16.310 -4.728 -1.218 451 H GLN 52 H GLN 52 -12.139 -2.490 -0.430 452 HA GLN 52 HA GLN 52 -13.722 -0.023 -0.358 453 HB2 GLN 52 2HB GLN 52 -11.040 -0.724 0.908 454 HB3 GLN 52 3HB GLN 52 -11.897 0.800 1.146 455 HG2 GLN 52 2HG GLN 52 -13.778 -0.412 2.178 456 HG3 GLN 52 3HG GLN 52 -12.923 -1.939 1.951 457 HE21 GLN 52 1HE2 GLN 52 -11.030 -2.320 3.191 458 HE22 GLN 52 2HE2 GLN 52 -10.745 -1.482 4.674 459 H GLY 53 H GLY 53 -12.032 -1.243 -2.764 460 HA2 GLY 53 2HA GLY 53 -11.416 -0.293 -4.757 461 HA3 GLY 53 3HA GLY 53 -11.752 1.284 -4.062 462 H PHE 54 H PHE 54 -9.405 -1.279 -3.218 463 HA PHE 54 HA PHE 54 -7.139 0.547 -3.845 464 HB2 PHE 54 2HB PHE 54 -7.272 -1.478 -1.561 465 HB3 PHE 54 3HB PHE 54 -5.871 -0.485 -1.963 466 HD1 PHE 54 HD2 PHE 54 -6.538 2.161 -2.127 467 HD2 PHE 54 HD1 PHE 54 -8.503 -0.755 0.302 468 HE1 PHE 54 HE2 PHE 54 -7.377 3.938 -0.658 469 HE2 PHE 54 HE1 PHE 54 -9.343 1.029 1.764 470 HZ PHE 54 HZ PHE 54 -8.783 3.373 1.281 471 H GLU 55 H GLU 55 -5.453 -0.415 -4.998 472 HA GLU 55 HA GLU 55 -5.909 -3.100 -6.056 473 HB2 GLU 55 2HB GLU 55 -5.074 -1.236 -7.522 474 HB3 GLU 55 3HB GLU 55 -3.571 -1.219 -6.606 475 HG2 GLU 55 2HG GLU 55 -3.333 -2.445 -8.721 476 HG3 GLU 55 3HG GLU 55 -3.062 -3.498 -7.331 477 H VAL 56 H VAL 56 -5.745 -4.301 -4.181 478 HA VAL 56 HA VAL 56 -3.296 -4.255 -2.566 479 HB VAL 56 HB VAL 56 -5.781 -5.976 -2.090 480 HG11 VAL 56 1HG1 VAL 56 -5.003 -5.953 0.278 481 HG12 VAL 56 2HG1 VAL 56 -3.571 -5.037 -0.202 482 HG13 VAL 56 3HG1 VAL 56 -3.812 -6.677 -0.803 483 HG21 VAL 56 3HG2 VAL 56 -5.255 -3.169 -1.043 484 HG22 VAL 56 1HG2 VAL 56 -6.612 -4.211 -0.625 485 HG23 VAL 56 2HG2 VAL 56 -6.448 -3.610 -2.267 486 H ARG 57 H ARG 57 -1.921 -5.934 -2.401 487 HA ARG 57 HA ARG 57 -2.180 -8.277 -4.119 488 HB2 ARG 57 2HB ARG 57 0.015 -6.178 -4.378 489 HB3 ARG 57 3HB ARG 57 0.207 -7.819 -4.994 490 HG2 ARG 57 2HG ARG 57 -1.974 -5.879 -5.844 491 HG3 ARG 57 3HG ARG 57 -0.507 -6.226 -6.765 492 HD2 ARG 57 2HD ARG 57 -1.209 -8.416 -7.294 493 HD3 ARG 57 3HD ARG 57 -2.368 -8.481 -5.967 494 HE ARG 57 HE ARG 57 -2.995 -6.533 -8.010 495 HH11 ARG 57 1HH1 ARG 57 -3.458 -9.853 -6.921 496 HH12 ARG 57 2HH1 ARG 57 -4.892 -10.093 -7.864 497 HH21 ARG 57 1HH2 ARG 57 -4.853 -6.880 -9.269 498 HH22 ARG 57 2HH2 ARG 57 -5.683 -8.404 -9.195 499 H LYS 58 H LYS 58 -0.726 -9.916 -3.694 500 HA LYS 58 HA LYS 58 -0.073 -10.180 -0.843 501 HB2 LYS 58 2HB LYS 58 -1.592 -11.817 -1.963 502 HB3 LYS 58 3HB LYS 58 -0.321 -12.231 -3.105 503 HG2 LYS 58 2HG LYS 58 1.047 -13.114 -1.223 504 HG3 LYS 58 3HG LYS 58 -0.273 -12.743 -0.110 505 HD2 LYS 58 2HD LYS 58 -0.409 -14.684 -2.454 506 HD3 LYS 58 3HD LYS 58 -0.261 -15.135 -0.756 507 HE2 LYS 58 2HE LYS 58 -2.475 -14.171 -0.291 508 HE3 LYS 58 3HE LYS 58 -2.626 -13.656 -1.973 509 HZ1 LYS 58 3HZ LYS 58 -3.824 -15.695 -1.613 510 HZ2 LYS 58 1HZ LYS 58 -2.446 -16.458 -1.000 511 HZ3 LYS 58 2HZ LYS 58 -2.508 -16.009 -2.625 512 H VAL 59 H VAL 59 2.038 -10.213 -0.184 513 HA VAL 59 HA VAL 59 4.181 -10.635 -2.190 514 HB VAL 59 HB VAL 59 5.679 -9.253 -0.657 515 HG11 VAL 59 1HG1 VAL 59 4.939 -7.098 -1.581 516 HG12 VAL 59 2HG1 VAL 59 3.367 -7.790 -1.983 517 HG13 VAL 59 3HG1 VAL 59 4.823 -8.379 -2.788 518 HG21 VAL 59 3HG2 VAL 59 4.613 -7.641 0.895 519 HG22 VAL 59 1HG2 VAL 59 4.296 -9.304 1.392 520 HG23 VAL 59 2HG2 VAL 59 3.033 -8.371 0.587 521 H LYS 60 H LYS 60 6.022 -11.693 -1.549 522 HA LYS 60 HA LYS 60 5.541 -13.965 0.155 523 HB2 LYS 60 2HB LYS 60 8.020 -13.130 -1.418 524 HB3 LYS 60 3HB LYS 60 7.773 -14.708 -0.674 525 HG2 LYS 60 2HG LYS 60 6.008 -15.261 -2.206 526 HG3 LYS 60 3HG LYS 60 5.908 -13.603 -2.793 527 HD2 LYS 60 2HD LYS 60 6.984 -14.973 -4.477 528 HD3 LYS 60 3HD LYS 60 8.166 -13.844 -3.825 529 HE2 LYS 60 2HE LYS 60 7.967 -16.713 -2.863 530 HE3 LYS 60 3HE LYS 60 8.944 -16.252 -4.252 531 HZ1 LYS 60 3HZ LYS 60 9.286 -15.272 -1.470 532 HZ2 LYS 60 1HZ LYS 60 10.197 -14.752 -2.798 533 HZ3 LYS 60 2HZ LYS 60 10.283 -16.361 -2.281 534 H ASP 61 H ASP 61 7.765 -11.183 0.184 535 HA ASP 61 HA ASP 61 7.996 -10.973 3.000 536 HB2 ASP 61 2HB ASP 61 10.252 -11.768 3.416 537 HB3 ASP 61 3HB ASP 61 9.379 -13.085 2.642 538 H ASP 62 H ASP 62 10.274 -9.596 3.395 539 HA ASP 62 HA ASP 62 9.827 -7.115 2.169 540 HB2 ASP 62 2HB ASP 62 12.241 -8.089 3.749 541 HB3 ASP 62 3HB ASP 62 11.929 -6.403 3.338 542 H ASP 63 H ASP 63 12.216 -9.598 1.451 543 HA ASP 63 HA ASP 63 13.772 -8.209 -0.481 544 HB2 ASP 63 2HB ASP 63 13.134 -11.180 -0.298 545 HB3 ASP 63 3HB ASP 63 14.189 -10.528 -1.548 546 H ASP 64 H ASP 64 10.769 -10.038 -0.781 547 HA ASP 64 HA ASP 64 10.449 -9.803 -3.603 548 HB2 ASP 64 2HB ASP 64 9.338 -11.535 -2.202 549 HB3 ASP 64 3HB ASP 64 8.348 -10.289 -1.451 550 H ILE 65 H ILE 65 9.516 -7.792 -0.872 551 HA ILE 65 HA ILE 65 7.645 -6.079 -2.143 552 HB ILE 65 HB ILE 65 9.352 -5.649 0.347 553 HG12 ILE 65 2HG1 ILE 65 6.368 -6.262 0.024 554 HG13 ILE 65 3HG1 ILE 65 7.600 -7.436 0.466 555 HG21 ILE 65 1HG2 ILE 65 7.119 -3.839 -0.679 556 HG22 ILE 65 2HG2 ILE 65 8.826 -3.422 -0.551 557 HG23 ILE 65 3HG2 ILE 65 7.886 -3.710 0.908 558 HD11 ILE 65 3HD1 ILE 65 6.351 -6.740 2.391 559 HD12 ILE 65 1HD1 ILE 65 6.752 -5.050 2.093 560 HD13 ILE 65 2HD1 ILE 65 8.020 -6.195 2.538 561 H ASP 66 H ASP 66 11.172 -5.552 -1.474 562 HA ASP 66 HA ASP 66 11.367 -3.077 -2.803 563 HB2 ASP 66 2HB ASP 66 13.419 -5.194 -2.108 564 HB3 ASP 66 3HB ASP 66 13.895 -3.820 -3.104 565 H LYS 67 H LYS 67 11.612 -6.361 -4.043 566 HA LYS 67 HA LYS 67 12.337 -5.696 -6.739 567 HB2 LYS 67 2HB LYS 67 11.040 -8.171 -5.521 568 HB3 LYS 67 3HB LYS 67 11.602 -8.076 -7.190 569 HG2 LYS 67 2HG LYS 67 13.889 -7.927 -6.526 570 HG3 LYS 67 3HG LYS 67 13.458 -7.583 -4.848 571 HD2 LYS 67 2HD LYS 67 14.276 -9.903 -5.130 572 HD3 LYS 67 3HD LYS 67 12.613 -9.853 -4.544 573 HE2 LYS 67 2HE LYS 67 12.871 -11.584 -6.223 574 HE3 LYS 67 3HE LYS 67 11.803 -10.328 -6.830 575 HZ1 LYS 67 3HZ LYS 67 14.685 -10.535 -7.495 576 HZ2 LYS 67 1HZ LYS 67 13.564 -9.466 -8.167 577 HZ3 LYS 67 2HZ LYS 67 13.441 -11.124 -8.468 578 H TRP 68 H TRP 68 9.318 -5.955 -4.992 579 HA TRP 68 HA TRP 68 7.518 -6.077 -7.183 580 HB2 TRP 68 2HB TRP 68 7.064 -6.667 -4.687 581 HB3 TRP 68 3HB TRP 68 6.810 -4.944 -4.436 582 HD1 TRP 68 HD1 TRP 68 5.188 -8.030 -5.960 583 HE1 TRP 68 HE1 TRP 68 2.770 -7.497 -6.644 584 HE3 TRP 68 HE3 TRP 68 5.207 -2.958 -5.192 585 HZ2 TRP 68 HZ2 TRP 68 1.088 -5.249 -6.821 586 HZ3 TRP 68 HZ3 TRP 68 3.137 -1.699 -5.627 587 HH2 TRP 68 HH2 TRP 68 1.119 -2.822 -6.425 588 H ILE 69 H ILE 69 8.652 -3.349 -5.134 589 HA ILE 69 HA ILE 69 7.113 -1.355 -6.544 590 HB ILE 69 HB ILE 69 9.242 -1.198 -4.381 591 HG12 ILE 69 2HG1 ILE 69 7.322 0.017 -3.167 592 HG13 ILE 69 3HG1 ILE 69 6.281 -0.452 -4.503 593 HG21 ILE 69 1HG2 ILE 69 9.749 0.737 -5.788 594 HG22 ILE 69 2HG2 ILE 69 9.015 1.268 -4.278 595 HG23 ILE 69 3HG2 ILE 69 8.058 1.244 -5.763 596 HD11 ILE 69 3HD1 ILE 69 6.026 -1.900 -2.588 597 HD12 ILE 69 1HD1 ILE 69 7.736 -2.324 -2.641 598 HD13 ILE 69 2HD1 ILE 69 6.663 -2.798 -3.963 599 H ASP 70 H ASP 70 10.329 -2.675 -6.773 600 HA ASP 70 HA ASP 70 11.782 -0.873 -8.259 601 HB2 ASP 70 2HB ASP 70 12.638 -3.035 -7.357 602 HB3 ASP 70 3HB ASP 70 11.741 -3.907 -8.593 603 H LYS 71 H LYS 71 9.505 -3.324 -9.467 604 HA LYS 71 HA LYS 71 9.859 -2.586 -12.240 605 HB2 LYS 71 2HB LYS 71 8.099 -4.252 -12.718 606 HB3 LYS 71 3HB LYS 71 9.392 -4.913 -11.733 607 HG2 LYS 71 2HG LYS 71 7.981 -4.746 -9.728 608 HG3 LYS 71 3HG LYS 71 6.688 -4.025 -10.689 609 HD2 LYS 71 2HD LYS 71 7.810 -6.823 -11.128 610 HD3 LYS 71 3HD LYS 71 6.341 -6.464 -10.217 611 HE2 LYS 71 2HE LYS 71 6.759 -5.754 -13.139 612 HE3 LYS 71 3HE LYS 71 5.910 -7.190 -12.570 613 HZ1 LYS 71 3HZ LYS 71 4.380 -5.410 -13.120 614 HZ2 LYS 71 1HZ LYS 71 5.111 -4.384 -11.996 615 HZ3 LYS 71 2HZ LYS 71 4.303 -5.776 -11.474 616 H ILE 72 H ILE 72 7.579 -1.744 -9.682 617 HA ILE 72 HA ILE 72 5.433 -0.777 -11.262 618 HB ILE 72 HB ILE 72 6.288 0.076 -8.457 619 HG12 ILE 72 2HG1 ILE 72 5.745 -2.336 -8.641 620 HG13 ILE 72 3HG1 ILE 72 4.584 -1.488 -7.638 621 HG21 ILE 72 1HG2 ILE 72 3.973 0.889 -8.148 622 HG22 ILE 72 2HG2 ILE 72 3.631 0.556 -9.849 623 HG23 ILE 72 3HG2 ILE 72 4.822 1.781 -9.412 624 HD11 ILE 72 3HD1 ILE 72 3.494 -3.135 -9.030 625 HD12 ILE 72 1HD1 ILE 72 4.150 -2.390 -10.487 626 HD13 ILE 72 2HD1 ILE 72 2.977 -1.517 -9.498 627 H LYS 73 H LYS 73 8.298 0.812 -9.944 628 HA LYS 73 HA LYS 73 7.779 3.463 -10.853 629 HB2 LYS 73 2HB LYS 73 10.446 2.118 -10.243 630 HB3 LYS 73 3HB LYS 73 10.172 3.854 -10.368 631 HG2 LYS 73 2HG LYS 73 8.604 3.689 -8.414 632 HG3 LYS 73 3HG LYS 73 9.062 1.994 -8.243 633 HD2 LYS 73 2HD LYS 73 10.962 4.362 -8.059 634 HD3 LYS 73 3HD LYS 73 10.301 3.473 -6.686 635 HE2 LYS 73 2HE LYS 73 11.474 1.452 -7.370 636 HE3 LYS 73 3HE LYS 73 12.051 2.241 -8.843 637 HZ1 LYS 73 3HZ LYS 73 12.729 3.068 -6.072 638 HZ2 LYS 73 1HZ LYS 73 13.313 3.785 -7.491 639 HZ3 LYS 73 2HZ LYS 73 13.743 2.197 -7.105 640 H LYS 74 H LYS 74 9.119 0.626 -12.366 641 HA LYS 74 HA LYS 74 10.415 1.946 -14.581 642 HB2 LYS 74 2HB LYS 74 11.221 -0.202 -13.647 643 HB3 LYS 74 3HB LYS 74 9.721 -0.991 -14.120 644 HG2 LYS 74 2HG LYS 74 10.237 -0.697 -16.471 645 HG3 LYS 74 3HG LYS 74 11.671 0.263 -16.090 646 HD2 LYS 74 2HD LYS 74 11.252 -2.681 -15.412 647 HD3 LYS 74 3HD LYS 74 12.277 -2.053 -16.704 648 HE2 LYS 74 2HE LYS 74 13.713 -0.936 -15.024 649 HE3 LYS 74 3HE LYS 74 12.691 -1.563 -13.727 650 HZ1 LYS 74 3HZ LYS 74 13.295 -3.809 -14.401 651 HZ2 LYS 74 1HZ LYS 74 14.674 -2.902 -14.021 652 HZ3 LYS 74 2HZ LYS 74 14.272 -3.194 -15.636 653 H GLU 75 H GLU 75 7.400 0.157 -14.056 654 HA GLU 75 HA GLU 75 6.408 0.153 -16.715 655 HB2 GLU 75 2HB GLU 75 4.940 -0.072 -14.049 656 HB3 GLU 75 3HB GLU 75 4.211 -0.417 -15.617 657 HG2 GLU 75 2HG GLU 75 5.649 -2.315 -15.959 658 HG3 GLU 75 3HG GLU 75 6.638 -1.890 -14.566 659 H ARG 76 H ARG 76 6.024 2.342 -13.970 660 HA ARG 76 HA ARG 76 4.699 4.367 -15.690 661 HB2 ARG 76 2HB ARG 76 4.224 3.968 -12.711 662 HB3 ARG 76 3HB ARG 76 3.375 5.077 -13.780 663 HG2 ARG 76 2HG ARG 76 2.360 3.144 -14.955 664 HG3 ARG 76 3HG ARG 76 3.215 2.050 -13.863 665 HD2 ARG 76 2HD ARG 76 2.013 2.985 -11.943 666 HD3 ARG 76 3HD ARG 76 1.183 4.136 -13.003 667 HE ARG 76 HE ARG 76 0.888 1.260 -13.500 668 HH11 ARG 76 1HH1 ARG 76 -0.600 4.259 -12.460 669 HH12 ARG 76 2HH1 ARG 76 -2.211 3.628 -12.547 670 HH21 ARG 76 1HH2 ARG 76 -1.190 0.419 -13.559 671 HH22 ARG 76 2HH2 ARG 76 -2.551 1.429 -13.171 672 HA PRO 77 HA PRO 77 8.675 6.021 -13.944 673 HB2 PRO 77 2HB PRO 77 9.294 7.175 -16.568 674 HB3 PRO 77 3HB PRO 77 10.085 5.824 -15.737 675 HG2 PRO 77 2HG PRO 77 8.611 5.522 -18.017 676 HG3 PRO 77 3HG PRO 77 8.823 4.232 -16.811 677 HD2 PRO 77 2HD PRO 77 6.490 6.121 -17.165 678 HD3 PRO 77 3HD PRO 77 6.490 4.364 -16.871 679 H GLN 78 H GLN 78 5.987 7.635 -15.416 680 HA GLN 78 HA GLN 78 7.065 10.335 -15.028 681 HB2 GLN 78 2HB GLN 78 4.331 9.528 -16.087 682 HB3 GLN 78 3HB GLN 78 5.052 11.131 -16.168 683 HG2 GLN 78 2HG GLN 78 5.990 8.643 -17.619 684 HG3 GLN 78 3HG GLN 78 5.183 10.036 -18.333 685 HE21 GLN 78 1HE2 GLN 78 6.770 12.047 -16.915 686 HE22 GLN 78 2HE2 GLN 78 8.355 11.991 -17.600 687 H LEU 79 H LEU 79 5.446 8.108 -13.112 688 HA LEU 79 HA LEU 79 4.730 10.250 -11.193 689 HB2 LEU 79 2HB LEU 79 2.993 8.711 -10.239 690 HB3 LEU 79 3HB LEU 79 2.642 9.305 -11.846 691 HG LEU 79 HG LEU 79 3.496 7.020 -12.714 692 HD11 LEU 79 1HD1 LEU 79 3.136 6.243 -9.809 693 HD12 LEU 79 2HD1 LEU 79 4.626 6.176 -10.750 694 HD13 LEU 79 3HD1 LEU 79 3.289 5.107 -11.153 695 HD21 LEU 79 3HD2 LEU 79 1.309 5.934 -12.372 696 HD22 LEU 79 1HD2 LEU 79 1.126 7.644 -12.765 697 HD23 LEU 79 2HD2 LEU 79 0.921 7.096 -11.100 698 H GLU 80 H GLU 80 5.267 9.801 -8.986 699 HA GLU 80 HA GLU 80 7.499 7.896 -8.697 700 HB2 GLU 80 2HB GLU 80 8.042 9.237 -6.612 701 HB3 GLU 80 3HB GLU 80 8.172 10.106 -8.136 702 HG2 GLU 80 2HG GLU 80 5.992 11.183 -7.720 703 HG3 GLU 80 3HG GLU 80 5.859 10.307 -6.195 704 H VAL 81 H VAL 81 7.729 6.697 -6.725 705 HA VAL 81 HA VAL 81 5.167 5.773 -5.543 706 HB VAL 81 HB VAL 81 7.566 4.001 -6.247 707 HG11 VAL 81 1HG1 VAL 81 4.781 3.214 -5.291 708 HG12 VAL 81 2HG1 VAL 81 6.259 3.163 -4.330 709 HG13 VAL 81 3HG1 VAL 81 6.083 2.101 -5.724 710 HG21 VAL 81 3HG2 VAL 81 6.476 4.786 -8.316 711 HG22 VAL 81 1HG2 VAL 81 4.914 4.205 -7.735 712 HG23 VAL 81 2HG2 VAL 81 6.210 3.059 -8.083 713 H ARG 82 H ARG 82 5.158 5.513 -3.354 714 HA ARG 82 HA ARG 82 7.707 5.701 -1.837 715 HB2 ARG 82 2HB ARG 82 6.426 7.853 -1.782 716 HB3 ARG 82 3HB ARG 82 5.032 7.001 -1.133 717 HG2 ARG 82 2HG ARG 82 6.161 8.172 0.665 718 HG3 ARG 82 3HG ARG 82 6.348 6.435 0.902 719 HD2 ARG 82 2HD ARG 82 8.623 6.510 0.079 720 HD3 ARG 82 3HD ARG 82 8.471 8.212 -0.360 721 HE ARG 82 HE ARG 82 8.778 7.075 2.325 722 HH11 ARG 82 1HH1 ARG 82 8.357 9.972 0.394 723 HH12 ARG 82 2HH1 ARG 82 8.883 11.022 1.669 724 HH21 ARG 82 1HH2 ARG 82 9.496 8.472 3.953 725 HH22 ARG 82 2HH2 ARG 82 9.524 10.182 3.671 726 H LYS 83 H LYS 83 8.013 3.809 -0.785 727 HA LYS 83 HA LYS 83 5.919 1.967 -0.057 728 HB2 LYS 83 2HB LYS 83 8.809 2.017 0.903 729 HB3 LYS 83 3HB LYS 83 7.682 0.680 1.094 730 HG2 LYS 83 2HG LYS 83 7.586 0.630 -1.492 731 HG3 LYS 83 3HG LYS 83 9.012 1.669 -1.435 732 HD2 LYS 83 2HD LYS 83 8.760 -1.129 -0.255 733 HD3 LYS 83 3HD LYS 83 9.698 -0.669 -1.677 734 HE2 LYS 83 2HE LYS 83 11.255 0.592 -0.329 735 HE3 LYS 83 3HE LYS 83 10.245 0.420 1.107 736 HZ1 LYS 83 3HZ LYS 83 11.676 -1.761 -0.299 737 HZ2 LYS 83 1HZ LYS 83 10.649 -1.976 1.027 738 HZ3 LYS 83 2HZ LYS 83 12.082 -1.102 1.196 739 H VAL 84 H VAL 84 4.840 1.776 1.850 740 HA VAL 84 HA VAL 84 5.542 3.521 4.143 741 HB VAL 84 HB VAL 84 2.849 2.630 3.026 742 HG11 VAL 84 1HG1 VAL 84 2.693 2.585 5.459 743 HG12 VAL 84 2HG1 VAL 84 1.752 3.916 4.796 744 HG13 VAL 84 3HG1 VAL 84 3.314 4.233 5.556 745 HG21 VAL 84 3HG2 VAL 84 3.967 4.489 1.820 746 HG22 VAL 84 1HG2 VAL 84 4.004 5.432 3.313 747 HG23 VAL 84 2HG2 VAL 84 2.460 4.990 2.577 748 H THR 85 H THR 85 6.704 2.050 5.369 749 HA THR 85 HA THR 85 5.757 -0.632 5.924 750 HB THR 85 HB THR 85 7.774 -0.661 7.487 751 HG1 THR 85 HG1 THR 85 8.189 1.405 8.005 752 HG21 THR 85 3HG2 THR 85 8.360 0.207 4.622 753 HG22 THR 85 1HG2 THR 85 7.982 -1.443 5.130 754 HG23 THR 85 2HG2 THR 85 9.458 -0.665 5.692 755 H ASP 86 H ASP 86 5.582 2.532 7.459 756 HA ASP 86 HA ASP 86 4.440 1.369 9.955 757 HB2 ASP 86 2HB ASP 86 5.879 4.043 9.605 758 HB3 ASP 86 3HB ASP 86 5.245 3.405 11.116 759 H GLU 87 H GLU 87 2.655 2.418 10.916 760 HA GLU 87 HA GLU 87 0.643 3.730 9.601 761 HB2 GLU 87 2HB GLU 87 0.357 2.907 11.863 762 HB3 GLU 87 3HB GLU 87 1.586 4.001 12.483 763 HG2 GLU 87 2HG GLU 87 0.006 5.906 11.738 764 HG3 GLU 87 3HG GLU 87 -1.219 4.648 11.568 765 H ASP 88 H ASP 88 3.429 5.183 11.218 766 HA ASP 88 HA ASP 88 2.635 7.908 10.833 767 HB2 ASP 88 2HB ASP 88 5.244 6.655 11.734 768 HB3 ASP 88 3HB ASP 88 5.013 8.400 11.619 769 H GLN 89 H GLN 89 4.419 5.656 8.863 770 HA GLN 89 HA GLN 89 5.465 7.579 7.015 771 HB2 GLN 89 2HB GLN 89 4.764 4.631 6.680 772 HB3 GLN 89 3HB GLN 89 5.569 5.585 5.441 773 HG2 GLN 89 2HG GLN 89 6.672 5.023 8.210 774 HG3 GLN 89 3HG GLN 89 7.123 4.165 6.735 775 HE21 GLN 89 1HE2 GLN 89 8.363 5.247 5.169 776 HE22 GLN 89 2HE2 GLN 89 9.249 6.681 5.535 777 H ALA 90 H ALA 90 2.451 5.691 7.227 778 HA ALA 90 HA ALA 90 1.196 6.734 4.906 779 HB1 ALA 90 3HB ALA 90 0.473 4.640 5.920 780 HB2 ALA 90 1HB ALA 90 -0.878 5.767 5.805 781 HB3 ALA 90 2HB ALA 90 -0.077 5.499 7.358 782 H LYS 91 H LYS 91 1.434 7.921 8.164 783 HA LYS 91 HA LYS 91 -0.476 10.076 7.899 784 HB2 LYS 91 2HB LYS 91 1.736 9.521 9.923 785 HB3 LYS 91 3HB LYS 91 0.609 10.870 10.055 786 HG2 LYS 91 2HG LYS 91 -1.259 9.409 10.416 787 HG3 LYS 91 3HG LYS 91 -0.333 7.989 9.925 788 HD2 LYS 91 2HD LYS 91 -0.635 8.067 12.378 789 HD3 LYS 91 3HD LYS 91 1.068 8.153 11.932 790 HE2 LYS 91 2HE LYS 91 0.985 10.627 12.253 791 HE3 LYS 91 3HE LYS 91 -0.688 10.476 12.796 792 HZ1 LYS 91 3HZ LYS 91 0.815 10.575 14.657 793 HZ2 LYS 91 1HZ LYS 91 1.690 9.246 14.084 794 HZ3 LYS 91 2HZ LYS 91 0.097 9.051 14.601 795 H GLN 92 H GLN 92 3.002 9.630 7.367 796 HA GLN 92 HA GLN 92 3.664 12.409 7.169 797 HB2 GLN 92 2HB GLN 92 5.430 10.814 7.726 798 HB3 GLN 92 3HB GLN 92 5.187 9.938 6.221 799 HG2 GLN 92 2HG GLN 92 7.212 11.313 6.130 800 HG3 GLN 92 3HG GLN 92 6.038 11.861 4.939 801 HE21 GLN 92 1HE2 GLN 92 5.095 13.938 5.211 802 HE22 GLN 92 2HE2 GLN 92 5.716 15.099 6.327 803 H ILE 93 H ILE 93 3.134 9.832 4.704 804 HA ILE 93 HA ILE 93 3.480 11.379 2.451 805 HB ILE 93 HB ILE 93 2.186 9.678 1.192 806 HG12 ILE 93 2HG1 ILE 93 1.638 8.542 3.965 807 HG13 ILE 93 3HG1 ILE 93 0.441 9.239 2.884 808 HG21 ILE 93 1HG2 ILE 93 4.578 9.309 1.676 809 HG22 ILE 93 2HG2 ILE 93 3.699 7.781 1.679 810 HG23 ILE 93 3HG2 ILE 93 4.160 8.534 3.206 811 HD11 ILE 93 3HD1 ILE 93 0.361 6.816 2.959 812 HD12 ILE 93 1HD1 ILE 93 2.013 6.740 2.356 813 HD13 ILE 93 2HD1 ILE 93 0.738 7.411 1.343 814 H LEU 94 H LEU 94 0.504 11.021 4.354 815 HA LEU 94 HA LEU 94 -1.342 12.473 2.889 816 HB2 LEU 94 2HB LEU 94 -0.780 12.466 5.873 817 HB3 LEU 94 3HB LEU 94 -2.102 13.420 5.214 818 HG LEU 94 HG LEU 94 -1.839 10.402 4.933 819 HD11 LEU 94 1HD1 LEU 94 -3.707 10.258 6.529 820 HD12 LEU 94 2HD1 LEU 94 -3.664 12.008 6.755 821 HD13 LEU 94 3HD1 LEU 94 -2.294 11.017 7.260 822 HD21 LEU 94 3HD2 LEU 94 -4.122 12.259 4.153 823 HD22 LEU 94 1HD2 LEU 94 -4.123 10.498 4.028 824 HD23 LEU 94 2HD2 LEU 94 -3.021 11.443 3.038 825 H GLU 95 H GLU 95 1.277 13.724 4.860 826 HA GLU 95 HA GLU 95 0.831 16.503 4.237 827 HB2 GLU 95 2HB GLU 95 1.642 15.447 6.435 828 HB3 GLU 95 3HB GLU 95 3.183 15.163 5.648 829 HG2 GLU 95 2HG GLU 95 1.949 17.901 6.004 830 HG3 GLU 95 3HG GLU 95 3.028 17.161 7.174 831 H ASP 96 H ASP 96 2.806 13.865 3.046 832 HA ASP 96 HA ASP 96 4.906 15.445 1.859 833 HB2 ASP 96 2HB ASP 96 5.340 13.126 2.677 834 HB3 ASP 96 3HB ASP 96 4.282 12.500 1.415 835 H LEU 97 H LEU 97 1.864 14.102 0.695 836 HA LEU 97 HA LEU 97 2.356 14.636 -2.097 837 HB2 LEU 97 2HB LEU 97 -0.107 13.914 -0.487 838 HB3 LEU 97 3HB LEU 97 -0.315 14.553 -2.108 839 HG LEU 97 HG LEU 97 1.095 12.667 -3.003 840 HD11 LEU 97 1HD1 LEU 97 2.392 12.108 -1.000 841 HD12 LEU 97 2HD1 LEU 97 1.574 10.698 -1.663 842 HD13 LEU 97 3HD1 LEU 97 0.936 11.485 -0.215 843 HD21 LEU 97 3HD2 LEU 97 -0.619 10.928 -2.827 844 HD22 LEU 97 1HD2 LEU 97 -1.345 12.514 -3.074 845 HD23 LEU 97 2HD2 LEU 97 -1.368 11.774 -1.471 846 H LYS 98 H LYS 98 1.651 16.557 0.604 847 HA LYS 98 HA LYS 98 0.476 18.814 -0.865 848 HB2 LYS 98 2HB LYS 98 1.239 18.800 2.081 849 HB3 LYS 98 3HB LYS 98 0.109 19.875 1.264 850 HG2 LYS 98 2HG LYS 98 -0.261 16.948 1.936 851 HG3 LYS 98 3HG LYS 98 -1.147 18.316 2.599 852 HD2 LYS 98 2HD LYS 98 -1.293 17.395 -0.300 853 HD3 LYS 98 3HD LYS 98 -2.447 16.938 0.949 854 HE2 LYS 98 2HE LYS 98 -3.094 19.298 1.229 855 HE3 LYS 98 3HE LYS 98 -1.918 19.774 0.000 856 HZ1 LYS 98 3HZ LYS 98 -4.137 19.609 -0.923 857 HZ2 LYS 98 1HZ LYS 98 -4.259 17.994 -0.444 858 HZ3 LYS 98 2HZ LYS 98 -3.134 18.442 -1.620 859 H LYS 99 H LYS 99 3.537 17.866 0.657 860 HA LYS 99 HA LYS 99 4.899 20.295 -0.266 861 HB2 LYS 99 2HB LYS 99 5.880 17.816 1.205 862 HB3 LYS 99 3HB LYS 99 7.009 18.984 0.529 863 HG2 LYS 99 2HG LYS 99 5.904 20.760 1.957 864 HG3 LYS 99 3HG LYS 99 4.980 19.468 2.735 865 HD2 LYS 99 2HD LYS 99 7.036 18.416 3.550 866 HD3 LYS 99 3HD LYS 99 8.025 19.555 2.633 867 HE2 LYS 99 2HE LYS 99 8.058 20.237 4.930 868 HE3 LYS 99 3HE LYS 99 7.085 21.410 4.048 869 HZ1 LYS 99 3HZ LYS 99 6.036 19.175 5.688 870 HZ2 LYS 99 1HZ LYS 99 5.102 20.322 4.875 871 HZ3 LYS 99 2HZ LYS 99 6.100 20.796 6.157 872 H LYS 100 H LYS 100 5.850 16.892 -0.723 873 HA LYS 100 HA LYS 100 6.944 17.375 -3.339 874 HB2 LYS 100 2HB LYS 100 6.837 15.090 -1.382 875 HB3 LYS 100 3HB LYS 100 7.058 14.649 -3.068 876 HG2 LYS 100 2HG LYS 100 8.833 16.724 -1.747 877 HG3 LYS 100 3HG LYS 100 9.173 14.999 -1.603 878 HD2 LYS 100 2HD LYS 100 8.882 16.477 -4.249 879 HD3 LYS 100 3HD LYS 100 10.429 16.133 -3.470 880 HE2 LYS 100 2HE LYS 100 10.082 13.751 -3.683 881 HE3 LYS 100 3HE LYS 100 8.426 13.986 -4.237 882 HZ1 LYS 100 3HZ LYS 100 9.893 13.457 -6.052 883 HZ2 LYS 100 1HZ LYS 100 10.869 14.794 -5.712 884 HZ3 LYS 100 2HZ LYS 100 9.276 15.018 -6.235 885 H GLY 101 H GLY 101 5.139 18.114 -4.471 886 HA2 GLY 101 2HA GLY 101 3.590 15.968 -5.745 887 HA3 GLY 101 3HA GLY 101 2.698 17.330 -5.054 888 H SER 102 H SER 102 5.490 16.646 -7.098 889 HA SER 102 HA SER 102 6.589 17.706 -8.716 890 HB2 SER 102 2HB SER 102 5.262 18.367 -10.711 891 HB3 SER 102 3HB SER 102 4.795 16.796 -10.073 892 HG SER 102 HG SER 102 3.401 19.157 -9.370 893 H LEU 103 H LEU 103 7.365 19.191 -7.094 894 HA LEU 103 HA LEU 103 6.461 21.951 -7.062 895 HB2 LEU 103 2HB LEU 103 9.043 20.658 -6.091 896 HB3 LEU 103 3HB LEU 103 8.610 22.338 -5.804 897 HG LEU 103 HG LEU 103 7.022 19.955 -4.764 898 HD11 LEU 103 1HD1 LEU 103 8.939 21.747 -3.232 899 HD12 LEU 103 2HD1 LEU 103 9.214 20.057 -3.658 900 HD13 LEU 103 3HD1 LEU 103 7.918 20.481 -2.543 901 HD21 LEU 103 3HD2 LEU 103 5.820 21.620 -3.390 902 HD22 LEU 103 1HD2 LEU 103 5.614 21.935 -5.113 903 HD23 LEU 103 2HD2 LEU 103 6.727 22.922 -4.163 904 H GLU 104 H GLU 104 8.055 20.096 -9.282 905 HA GLU 104 HA GLU 104 9.171 22.370 -10.742 906 HB2 GLU 104 2HB GLU 104 11.104 20.973 -11.423 907 HB3 GLU 104 3HB GLU 104 11.071 21.229 -9.690 908 HG2 GLU 104 2HG GLU 104 10.232 18.679 -11.106 909 HG3 GLU 104 3HG GLU 104 11.773 18.945 -10.308 910 H HIS 105 H HIS 105 8.297 22.471 -12.729 911 HA HIS 105 HA HIS 105 6.471 20.502 -13.747 912 HB2 HIS 105 2HB HIS 105 6.489 23.078 -14.183 913 HB3 HIS 105 3HB HIS 105 7.714 22.749 -15.401 914 HD1 HIS 105 HD1 HIS 105 6.878 21.906 -17.651 915 HD2 HIS 105 HD2 HIS 105 3.896 22.004 -14.772 916 HE1 HIS 105 HE1 HIS 105 4.736 21.482 -18.892 917 HE2 HIS 105 HE2 HIS 105 2.934 21.765 -17.159 918 H HIS 106 H HIS 106 9.826 21.308 -14.277 919 HA HIS 106 HA HIS 106 10.400 18.619 -15.103 920 HB2 HIS 106 2HB HIS 106 11.773 19.272 -17.091 921 HB3 HIS 106 3HB HIS 106 10.052 19.518 -17.333 922 HD1 HIS 106 HD1 HIS 106 13.172 21.142 -17.903 923 HD2 HIS 106 HD2 HIS 106 9.357 22.421 -16.878 924 HE1 HIS 106 HE1 HIS 106 13.103 23.583 -18.483 925 HE2 HIS 106 HE2 HIS 106 10.829 24.360 -17.744 926 H HIS 107 H HIS 107 11.962 18.061 -13.787 927 HA HIS 107 HA HIS 107 13.235 19.841 -12.001 928 HB2 HIS 107 2HB HIS 107 12.647 17.407 -11.587 929 HB3 HIS 107 3HB HIS 107 14.022 16.947 -12.582 930 HD1 HIS 107 HD1 HIS 107 15.893 16.233 -11.109 931 HD2 HIS 107 HD2 HIS 107 13.708 19.320 -9.393 932 HE1 HIS 107 HE1 HIS 107 17.028 16.726 -8.929 933 HE2 HIS 107 HE2 HIS 107 15.660 18.551 -7.880 934 H HIS 108 H HIS 108 14.301 18.418 -15.029 935 HA HIS 108 HA HIS 108 16.684 20.093 -15.104 936 HB2 HIS 108 2HB HIS 108 18.242 18.213 -15.563 937 HB3 HIS 108 3HB HIS 108 17.547 18.079 -13.954 938 HD1 HIS 108 HD1 HIS 108 18.340 16.039 -16.738 939 HD2 HIS 108 HD2 HIS 108 15.176 16.145 -14.057 940 HE1 HIS 108 HE1 HIS 108 17.278 13.778 -16.881 941 HE2 HIS 108 HE2 HIS 108 15.297 13.909 -15.343 942 H HIS 109 H HIS 109 16.929 20.876 -17.106 943 HA HIS 109 HA HIS 109 15.321 19.896 -19.318 944 HB2 HIS 109 2HB HIS 109 16.235 21.794 -20.588 945 HB3 HIS 109 3HB HIS 109 15.661 22.322 -19.014 946 HD1 HIS 109 HD1 HIS 109 17.355 23.473 -17.491 947 HD2 HIS 109 HD2 HIS 109 19.107 21.853 -20.897 948 HE1 HIS 109 HE1 HIS 109 19.682 24.417 -17.572 949 HE2 HIS 109 HE2 HIS 109 20.754 23.343 -19.567 950 H HIS 110 H HIS 110 18.547 19.557 -18.184 951 HA HIS 110 HA HIS 110 19.357 17.890 -20.495 952 HB2 HIS 110 2HB HIS 110 20.803 19.896 -20.182 953 HB3 HIS 110 3HB HIS 110 21.101 19.450 -18.510 954 HD1 HIS 110 HD1 HIS 110 22.446 19.052 -21.874 955 HD2 HIS 110 HD2 HIS 110 22.684 16.939 -18.298 956 HE1 HIS 110 HE1 HIS 110 24.438 17.537 -22.115 957 HE2 HIS 110 HE2 HIS 110 24.619 16.346 -19.911 Start of MODEL 6 1 H1 MET 1 1H MET 1 2.637 16.878 -16.069 2 H2 MET 1 2H MET 1 1.068 16.525 -16.576 3 H3 MET 1 3H MET 1 2.205 15.283 -16.412 4 HA MET 1 HA MET 1 1.176 16.960 -14.203 5 HB2 MET 1 2HB MET 1 0.589 14.038 -14.859 6 HB3 MET 1 3HB MET 1 0.041 14.880 -13.414 7 HG2 MET 1 2HG MET 1 -0.783 15.505 -16.255 8 HG3 MET 1 3HG MET 1 -1.758 14.676 -15.045 9 HE1 MET 1 3HE MET 1 -2.363 17.618 -12.436 10 HE2 MET 1 1HE MET 1 -1.045 16.446 -12.409 11 HE3 MET 1 2HE MET 1 -2.684 15.920 -12.790 12 H GLY 2 H GLY 2 1.744 16.041 -12.075 13 HA2 GLY 2 2HA GLY 2 4.343 14.608 -12.017 14 HA3 GLY 2 3HA GLY 2 3.783 15.745 -10.789 15 H SER 3 H SER 3 2.843 12.730 -12.399 16 HA SER 3 HA SER 3 0.835 11.977 -10.599 17 HB2 SER 3 2HB SER 3 2.449 10.180 -12.451 18 HB3 SER 3 3HB SER 3 0.886 9.793 -11.725 19 HG SER 3 HG SER 3 0.032 11.624 -12.852 20 H LYS 4 H LYS 4 0.743 10.613 -8.886 21 HA LYS 4 HA LYS 4 3.198 9.437 -7.752 22 HB2 LYS 4 2HB LYS 4 2.922 11.627 -6.643 23 HB3 LYS 4 3HB LYS 4 1.239 11.265 -6.287 24 HG2 LYS 4 2HG LYS 4 2.347 10.959 -4.238 25 HG3 LYS 4 3HG LYS 4 2.111 9.323 -4.851 26 HD2 LYS 4 2HD LYS 4 4.353 9.552 -3.892 27 HD3 LYS 4 3HD LYS 4 4.456 9.270 -5.630 28 HE2 LYS 4 2HE LYS 4 6.064 10.994 -4.891 29 HE3 LYS 4 3HE LYS 4 4.879 11.664 -6.014 30 HZ1 LYS 4 3HZ LYS 4 5.304 13.107 -4.112 31 HZ2 LYS 4 1HZ LYS 4 4.746 11.911 -3.065 32 HZ3 LYS 4 2HZ LYS 4 3.693 12.622 -4.173 33 H ILE 5 H ILE 5 2.811 7.468 -6.898 34 HA ILE 5 HA ILE 5 0.097 6.735 -6.013 35 HB ILE 5 HB ILE 5 0.589 4.366 -6.517 36 HG12 ILE 5 2HG1 ILE 5 3.061 5.313 -8.040 37 HG13 ILE 5 3HG1 ILE 5 3.126 4.608 -6.429 38 HG21 ILE 5 1HG2 ILE 5 -0.692 5.633 -8.172 39 HG22 ILE 5 2HG2 ILE 5 0.322 4.431 -8.969 40 HG23 ILE 5 3HG2 ILE 5 0.798 6.130 -8.982 41 HD11 ILE 5 3HD1 ILE 5 3.684 2.988 -8.126 42 HD12 ILE 5 1HD1 ILE 5 2.128 3.239 -8.914 43 HD13 ILE 5 2HD1 ILE 5 2.196 2.531 -7.298 44 H ILE 6 H ILE 6 0.090 5.315 -4.184 45 HA ILE 6 HA ILE 6 2.639 5.191 -2.654 46 HB ILE 6 HB ILE 6 -0.178 5.561 -1.515 47 HG12 ILE 6 2HG1 ILE 6 0.673 7.646 -2.565 48 HG13 ILE 6 3HG1 ILE 6 0.528 7.816 -0.827 49 HG21 ILE 6 1HG2 ILE 6 2.488 5.439 -0.061 50 HG22 ILE 6 2HG2 ILE 6 1.217 4.216 -0.026 51 HG23 ILE 6 3HG2 ILE 6 0.925 5.804 0.673 52 HD11 ILE 6 3HD1 ILE 6 2.510 8.920 -1.683 53 HD12 ILE 6 1HD1 ILE 6 3.095 7.396 -2.352 54 HD13 ILE 6 2HD1 ILE 6 2.948 7.595 -0.605 55 H VAL 7 H VAL 7 3.117 3.274 -1.773 56 HA VAL 7 HA VAL 7 1.256 0.998 -2.074 57 HB VAL 7 HB VAL 7 4.311 0.974 -2.323 58 HG11 VAL 7 1HG1 VAL 7 3.588 -1.018 -1.102 59 HG12 VAL 7 2HG1 VAL 7 4.099 -1.466 -2.725 60 HG13 VAL 7 3HG1 VAL 7 2.378 -1.382 -2.336 61 HG21 VAL 7 3HG2 VAL 7 3.900 0.174 -4.627 62 HG22 VAL 7 1HG2 VAL 7 3.157 1.750 -4.361 63 HG23 VAL 7 2HG2 VAL 7 2.158 0.297 -4.373 64 H ILE 8 H ILE 8 0.571 0.400 -0.126 65 HA ILE 8 HA ILE 8 2.173 1.106 2.261 66 HB ILE 8 HB ILE 8 -0.851 0.815 1.956 67 HG12 ILE 8 2HG1 ILE 8 0.964 3.209 2.495 68 HG13 ILE 8 3HG1 ILE 8 -0.021 2.935 1.067 69 HG21 ILE 8 1HG2 ILE 8 -0.155 -0.083 4.135 70 HG22 ILE 8 2HG2 ILE 8 -1.013 1.441 4.339 71 HG23 ILE 8 3HG2 ILE 8 0.746 1.399 4.475 72 HD11 ILE 8 3HD1 ILE 8 -1.015 3.548 3.838 73 HD12 ILE 8 1HD1 ILE 8 -2.033 3.233 2.432 74 HD13 ILE 8 2HD1 ILE 8 -0.969 4.637 2.453 75 H ILE 9 H ILE 9 2.739 -0.463 3.604 76 HA ILE 9 HA ILE 9 2.379 -3.247 2.747 77 HB ILE 9 HB ILE 9 4.428 -1.919 4.596 78 HG12 ILE 9 2HG1 ILE 9 6.115 -2.736 2.837 79 HG13 ILE 9 3HG1 ILE 9 4.749 -3.136 1.805 80 HG21 ILE 9 1HG2 ILE 9 3.940 -4.140 5.458 81 HG22 ILE 9 2HG2 ILE 9 5.559 -4.099 4.767 82 HG23 ILE 9 3HG2 ILE 9 4.240 -4.852 3.871 83 HD11 ILE 9 3HD1 ILE 9 5.798 -1.046 1.162 84 HD12 ILE 9 1HD1 ILE 9 5.501 -0.371 2.764 85 HD13 ILE 9 2HD1 ILE 9 4.144 -0.763 1.703 86 H SER 10 H SER 10 0.318 -3.627 3.608 87 HA SER 10 HA SER 10 -0.307 -2.840 6.370 88 HB2 SER 10 2HB SER 10 -2.004 -2.365 4.649 89 HB3 SER 10 3HB SER 10 -2.095 -4.077 4.235 90 HG SER 10 HG SER 10 -3.035 -4.504 6.168 91 H SER 11 H SER 11 0.516 -4.188 7.774 92 HA SER 11 HA SER 11 -0.074 -7.094 7.575 93 HB2 SER 11 2HB SER 11 2.517 -6.052 8.789 94 HB3 SER 11 3HB SER 11 2.138 -7.679 8.213 95 HG SER 11 HG SER 11 2.329 -5.388 6.539 96 H ASP 12 H ASP 12 -1.336 -7.642 9.242 97 HA ASP 12 HA ASP 12 -2.105 -8.035 11.316 98 HB2 ASP 12 2HB ASP 12 0.360 -6.517 12.278 99 HB3 ASP 12 3HB ASP 12 -0.745 -7.382 13.336 100 H ASP 13 H ASP 13 -0.845 -4.690 11.642 101 HA ASP 13 HA ASP 13 -3.161 -3.755 13.062 102 HB2 ASP 13 2HB ASP 13 -0.955 -2.851 13.580 103 HB3 ASP 13 3HB ASP 13 -0.731 -2.313 11.917 104 H THR 14 H THR 14 -4.538 -1.972 12.405 105 HA THR 14 HA THR 14 -5.362 -2.175 9.569 106 HB THR 14 HB THR 14 -7.055 -1.308 11.958 107 HG1 THR 14 HG1 THR 14 -6.448 -3.881 10.945 108 HG21 THR 14 3HG2 THR 14 -8.015 -0.672 9.768 109 HG22 THR 14 1HG2 THR 14 -8.973 -1.944 10.525 110 HG23 THR 14 2HG2 THR 14 -7.872 -2.339 9.204 111 H THR 15 H THR 15 -4.118 0.150 11.884 112 HA THR 15 HA THR 15 -5.331 2.528 11.145 113 HB THR 15 HB THR 15 -2.363 2.309 11.790 114 HG1 THR 15 HG1 THR 15 -3.112 1.321 13.516 115 HG21 THR 15 3HG2 THR 15 -3.156 4.585 11.170 116 HG22 THR 15 1HG2 THR 15 -2.681 4.505 12.867 117 HG23 THR 15 2HG2 THR 15 -4.390 4.492 12.426 118 H LEU 16 H LEU 16 -2.773 0.782 9.501 119 HA LEU 16 HA LEU 16 -1.926 2.760 7.649 120 HB2 LEU 16 2HB LEU 16 -1.808 -0.280 7.498 121 HB3 LEU 16 3HB LEU 16 -1.094 0.769 6.292 122 HG LEU 16 HG LEU 16 0.303 1.776 8.232 123 HD11 LEU 16 1HD1 LEU 16 -0.940 0.842 10.114 124 HD12 LEU 16 2HD1 LEU 16 0.749 0.344 10.144 125 HD13 LEU 16 3HD1 LEU 16 -0.495 -0.794 9.618 126 HD21 LEU 16 3HD2 LEU 16 0.817 -1.065 7.304 127 HD22 LEU 16 1HD2 LEU 16 2.021 0.016 8.017 128 HD23 LEU 16 2HD2 LEU 16 1.281 0.419 6.473 129 H GLU 17 H GLU 17 -4.436 0.324 7.540 130 HA GLU 17 HA GLU 17 -5.251 0.508 4.819 131 HB2 GLU 17 2HB GLU 17 -6.847 -0.372 7.267 132 HB3 GLU 17 3HB GLU 17 -7.232 -0.763 5.593 133 HG2 GLU 17 2HG GLU 17 -5.204 -2.128 5.420 134 HG3 GLU 17 3HG GLU 17 -4.734 -1.646 7.052 135 H GLU 18 H GLU 18 -6.392 2.007 7.813 136 HA GLU 18 HA GLU 18 -8.648 3.363 6.713 137 HB2 GLU 18 2HB GLU 18 -7.074 3.829 9.276 138 HB3 GLU 18 3HB GLU 18 -8.601 4.622 8.895 139 HG2 GLU 18 2HG GLU 18 -8.235 1.620 9.154 140 HG3 GLU 18 3HG GLU 18 -8.848 2.675 10.422 141 H LEU 19 H LEU 19 -5.323 4.388 7.421 142 HA LEU 19 HA LEU 19 -5.580 7.116 6.675 143 HB2 LEU 19 2HB LEU 19 -3.159 5.275 6.782 144 HB3 LEU 19 3HB LEU 19 -3.043 7.002 6.479 145 HG LEU 19 HG LEU 19 -4.232 5.832 9.029 146 HD11 LEU 19 1HD1 LEU 19 -2.112 6.364 10.151 147 HD12 LEU 19 2HD1 LEU 19 -1.403 6.857 8.609 148 HD13 LEU 19 3HD1 LEU 19 -1.875 5.176 8.869 149 HD21 LEU 19 3HD2 LEU 19 -3.341 8.659 8.366 150 HD22 LEU 19 1HD2 LEU 19 -3.943 8.108 9.935 151 HD23 LEU 19 2HD2 LEU 19 -5.006 8.102 8.531 152 H ALA 20 H ALA 20 -4.722 4.193 4.883 153 HA ALA 20 HA ALA 20 -3.804 5.180 2.456 154 HB1 ALA 20 3HB ALA 20 -4.455 3.010 1.496 155 HB2 ALA 20 1HB ALA 20 -5.511 2.702 2.875 156 HB3 ALA 20 2HB ALA 20 -3.765 2.788 3.106 157 H ARG 21 H ARG 21 -7.093 4.918 3.619 158 HA ARG 21 HA ARG 21 -8.512 5.254 1.194 159 HB2 ARG 21 2HB ARG 21 -9.400 4.377 3.411 160 HB3 ARG 21 3HB ARG 21 -9.423 6.034 4.004 161 HG2 ARG 21 2HG ARG 21 -11.654 5.389 3.303 162 HG3 ARG 21 3HG ARG 21 -11.037 6.630 2.214 163 HD2 ARG 21 2HD ARG 21 -10.418 4.806 0.588 164 HD3 ARG 21 3HD ARG 21 -11.200 3.649 1.666 165 HE ARG 21 HE ARG 21 -13.250 4.381 0.963 166 HH11 ARG 21 1HH1 ARG 21 -10.847 6.674 -0.194 167 HH12 ARG 21 2HH1 ARG 21 -11.964 7.504 -1.223 168 HH21 ARG 21 1HH2 ARG 21 -14.697 5.456 -0.403 169 HH22 ARG 21 2HH2 ARG 21 -14.159 6.811 -1.342 170 H LYS 22 H LYS 22 -6.984 7.559 3.331 171 HA LYS 22 HA LYS 22 -8.215 9.918 2.140 172 HB2 LYS 22 2HB LYS 22 -6.015 9.616 4.228 173 HB3 LYS 22 3HB LYS 22 -6.575 11.175 3.639 174 HG2 LYS 22 2HG LYS 22 -7.645 10.817 5.731 175 HG3 LYS 22 3HG LYS 22 -8.883 10.569 4.499 176 HD2 LYS 22 2HD LYS 22 -8.416 8.076 4.700 177 HD3 LYS 22 3HD LYS 22 -7.405 8.457 6.096 178 HE2 LYS 22 2HE LYS 22 -9.384 9.517 7.186 179 HE3 LYS 22 3HE LYS 22 -10.373 9.020 5.811 180 HZ1 LYS 22 3HZ LYS 22 -8.896 7.184 7.623 181 HZ2 LYS 22 1HZ LYS 22 -9.884 6.717 6.327 182 HZ3 LYS 22 2HZ LYS 22 -10.560 7.485 7.673 183 H ILE 23 H ILE 23 -5.202 8.056 1.907 184 HA ILE 23 HA ILE 23 -3.673 9.928 0.414 185 HB ILE 23 HB ILE 23 -3.483 6.932 0.883 186 HG12 ILE 23 2HG1 ILE 23 -1.098 7.650 1.646 187 HG13 ILE 23 3HG1 ILE 23 -1.682 9.304 1.551 188 HG21 ILE 23 1HG2 ILE 23 -1.685 8.422 -1.045 189 HG22 ILE 23 2HG2 ILE 23 -2.880 7.199 -1.475 190 HG23 ILE 23 3HG2 ILE 23 -1.483 6.753 -0.504 191 HD11 ILE 23 3HD1 ILE 23 -1.700 8.468 3.810 192 HD12 ILE 23 1HD1 ILE 23 -2.740 7.126 3.337 193 HD13 ILE 23 2HD1 ILE 23 -3.350 8.781 3.266 194 H LYS 24 H LYS 24 -5.904 7.307 -0.565 195 HA LYS 24 HA LYS 24 -5.433 7.533 -3.384 196 HB2 LYS 24 2HB LYS 24 -7.281 6.031 -3.699 197 HB3 LYS 24 3HB LYS 24 -6.450 5.501 -2.244 198 HG2 LYS 24 2HG LYS 24 -8.175 6.584 -0.863 199 HG3 LYS 24 3HG LYS 24 -9.008 7.125 -2.318 200 HD2 LYS 24 2HD LYS 24 -8.665 4.276 -1.323 201 HD3 LYS 24 3HD LYS 24 -10.166 5.185 -1.490 202 HE2 LYS 24 2HE LYS 24 -8.416 4.071 -3.694 203 HE3 LYS 24 3HE LYS 24 -10.067 3.609 -3.295 204 HZ1 LYS 24 3HZ LYS 24 -10.729 5.906 -3.947 205 HZ2 LYS 24 1HZ LYS 24 -10.116 4.975 -5.219 206 HZ3 LYS 24 2HZ LYS 24 -9.157 6.163 -4.501 207 H ASP 25 H ASP 25 -7.377 9.288 -1.136 208 HA ASP 25 HA ASP 25 -9.289 10.426 -2.958 209 HB2 ASP 25 2HB ASP 25 -9.721 10.085 -0.520 210 HB3 ASP 25 3HB ASP 25 -8.493 11.287 -0.142 211 H GLU 26 H GLU 26 -5.993 11.076 -2.329 212 HA GLU 26 HA GLU 26 -5.925 13.845 -3.096 213 HB2 GLU 26 2HB GLU 26 -3.703 11.772 -3.279 214 HB3 GLU 26 3HB GLU 26 -3.497 13.519 -3.348 215 HG2 GLU 26 2HG GLU 26 -4.296 11.834 -0.966 216 HG3 GLU 26 3HG GLU 26 -2.834 12.793 -1.170 217 H GLY 27 H GLY 27 -6.525 10.994 -4.826 218 HA2 GLY 27 2HA GLY 27 -7.027 10.825 -7.127 219 HA3 GLY 27 3HA GLY 27 -6.035 12.244 -7.442 220 H LEU 28 H LEU 28 -5.177 9.425 -5.487 221 HA LEU 28 HA LEU 28 -3.027 8.706 -7.414 222 HB2 LEU 28 2HB LEU 28 -3.005 7.888 -4.492 223 HB3 LEU 28 3HB LEU 28 -1.674 7.927 -5.631 224 HG LEU 28 HG LEU 28 -2.923 10.240 -4.126 225 HD11 LEU 28 1HD1 LEU 28 -0.610 10.501 -3.275 226 HD12 LEU 28 2HD1 LEU 28 -0.138 9.060 -4.176 227 HD13 LEU 28 3HD1 LEU 28 -1.323 8.942 -2.872 228 HD21 LEU 28 3HD2 LEU 28 -0.833 10.491 -6.308 229 HD22 LEU 28 1HD2 LEU 28 -1.389 11.781 -5.237 230 HD23 LEU 28 2HD2 LEU 28 -2.501 11.064 -6.400 231 H GLU 29 H GLU 29 -2.867 6.511 -8.018 232 HA GLU 29 HA GLU 29 -4.940 4.657 -7.133 233 HB2 GLU 29 2HB GLU 29 -4.182 4.697 -9.521 234 HB3 GLU 29 3HB GLU 29 -2.571 4.199 -9.005 235 HG2 GLU 29 2HG GLU 29 -3.488 2.077 -8.145 236 HG3 GLU 29 3HG GLU 29 -5.111 2.565 -8.627 237 H VAL 30 H VAL 30 -4.644 3.594 -5.229 238 HA VAL 30 HA VAL 30 -1.923 3.426 -4.094 239 HB VAL 30 HB VAL 30 -4.622 3.116 -2.681 240 HG11 VAL 30 1HG1 VAL 30 -2.855 1.865 -1.515 241 HG12 VAL 30 2HG1 VAL 30 -3.310 3.285 -0.577 242 HG13 VAL 30 3HG1 VAL 30 -1.808 3.287 -1.510 243 HG21 VAL 30 3HG2 VAL 30 -4.263 5.399 -3.507 244 HG22 VAL 30 1HG2 VAL 30 -2.685 5.459 -2.714 245 HG23 VAL 30 2HG2 VAL 30 -4.161 5.348 -1.748 246 H TYR 31 H TYR 31 -0.975 1.553 -3.773 247 HA TYR 31 HA TYR 31 -2.383 -0.992 -4.311 248 HB2 TYR 31 2HB TYR 31 0.611 -0.380 -4.433 249 HB3 TYR 31 3HB TYR 31 -0.148 -1.916 -4.832 250 HD1 TYR 31 HD2 TYR 31 0.062 1.674 -5.932 251 HD2 TYR 31 HD1 TYR 31 -0.824 -2.344 -7.104 252 HE1 TYR 31 HE2 TYR 31 -0.025 2.367 -8.284 253 HE2 TYR 31 HE1 TYR 31 -0.910 -1.628 -9.452 254 HH TYR 31 HH TYR 31 -1.317 0.494 -10.718 255 H ILE 32 H ILE 32 -2.141 -2.614 -2.711 256 HA ILE 32 HA ILE 32 -0.753 -1.782 -0.196 257 HB ILE 32 HB ILE 32 -3.330 -3.439 -0.320 258 HG12 ILE 32 2HG1 ILE 32 -3.795 -1.067 -0.991 259 HG13 ILE 32 3HG1 ILE 32 -4.583 -1.512 0.513 260 HG21 ILE 32 1HG2 ILE 32 -3.389 -3.086 2.127 261 HG22 ILE 32 2HG2 ILE 32 -1.848 -2.232 2.042 262 HG23 ILE 32 3HG2 ILE 32 -1.934 -3.943 1.619 263 HD11 ILE 32 3HD1 ILE 32 -2.085 0.161 0.250 264 HD12 ILE 32 1HD1 ILE 32 -2.872 -0.284 1.766 265 HD13 ILE 32 2HD1 ILE 32 -3.711 0.747 0.607 266 H LEU 33 H LEU 33 0.844 -3.263 0.389 267 HA LEU 33 HA LEU 33 0.808 -5.900 -0.918 268 HB2 LEU 33 2HB LEU 33 3.087 -4.332 0.336 269 HB3 LEU 33 3HB LEU 33 3.239 -5.981 -0.250 270 HG LEU 33 HG LEU 33 2.691 -3.489 -1.895 271 HD11 LEU 33 1HD1 LEU 33 4.764 -4.095 -3.076 272 HD12 LEU 33 2HD1 LEU 33 4.974 -5.482 -2.005 273 HD13 LEU 33 3HD1 LEU 33 5.042 -3.845 -1.354 274 HD21 LEU 33 3HD2 LEU 33 2.558 -6.364 -2.848 275 HD22 LEU 33 1HD2 LEU 33 2.545 -4.939 -3.891 276 HD23 LEU 33 2HD2 LEU 33 1.222 -5.213 -2.765 277 H LEU 34 H LEU 34 0.252 -7.560 0.141 278 HA LEU 34 HA LEU 34 0.050 -7.545 3.077 279 HB2 LEU 34 2HB LEU 34 -1.658 -8.485 0.859 280 HB3 LEU 34 3HB LEU 34 -1.412 -9.739 2.049 281 HG LEU 34 HG LEU 34 -3.491 -8.430 2.429 282 HD11 LEU 34 1HD1 LEU 34 -1.464 -8.174 4.673 283 HD12 LEU 34 2HD1 LEU 34 -2.466 -9.583 4.312 284 HD13 LEU 34 3HD1 LEU 34 -3.222 -8.086 4.843 285 HD21 LEU 34 3HD2 LEU 34 -2.714 -6.219 1.643 286 HD22 LEU 34 1HD2 LEU 34 -1.662 -6.077 3.054 287 HD23 LEU 34 2HD2 LEU 34 -3.416 -6.122 3.253 288 H LYS 35 H LYS 35 1.663 -8.611 4.099 289 HA LYS 35 HA LYS 35 1.593 -11.458 3.632 290 HB2 LYS 35 2HB LYS 35 3.900 -11.989 3.775 291 HB3 LYS 35 3HB LYS 35 3.733 -10.804 2.503 292 HG2 LYS 35 2HG LYS 35 4.718 -10.086 5.274 293 HG3 LYS 35 3HG LYS 35 5.789 -10.669 4.007 294 HD2 LYS 35 2HD LYS 35 6.070 -8.425 3.641 295 HD3 LYS 35 3HD LYS 35 4.634 -8.643 2.643 296 HE2 LYS 35 2HE LYS 35 4.451 -6.665 4.088 297 HE3 LYS 35 3HE LYS 35 3.222 -7.861 4.495 298 HZ1 LYS 35 3HZ LYS 35 4.548 -8.570 6.358 299 HZ2 LYS 35 1HZ LYS 35 4.289 -6.903 6.453 300 HZ3 LYS 35 2HZ LYS 35 5.783 -7.494 5.940 301 H ASP 36 H ASP 36 1.119 -12.450 5.422 302 HA ASP 36 HA ASP 36 1.295 -11.067 8.031 303 HB2 ASP 36 2HB ASP 36 -0.905 -10.560 6.956 304 HB3 ASP 36 3HB ASP 36 -1.223 -12.277 6.785 305 H LYS 37 H LYS 37 0.572 -12.598 9.783 306 HA LYS 37 HA LYS 37 2.054 -14.852 10.173 307 HB2 LYS 37 2HB LYS 37 -0.757 -14.403 11.229 308 HB3 LYS 37 3HB LYS 37 0.471 -15.435 11.964 309 HG2 LYS 37 2HG LYS 37 1.839 -13.537 12.529 310 HG3 LYS 37 3HG LYS 37 0.810 -12.446 11.594 311 HD2 LYS 37 2HD LYS 37 0.043 -13.913 14.145 312 HD3 LYS 37 3HD LYS 37 0.380 -12.192 13.975 313 HE2 LYS 37 2HE LYS 37 -1.948 -13.702 12.748 314 HE3 LYS 37 3HE LYS 37 -2.033 -12.539 14.066 315 HZ1 LYS 37 3HZ LYS 37 -2.714 -11.482 12.065 316 HZ2 LYS 37 1HZ LYS 37 -1.323 -11.964 11.234 317 HZ3 LYS 37 2HZ LYS 37 -1.215 -10.844 12.487 318 H ASP 38 H ASP 38 -1.283 -14.759 8.936 319 HA ASP 38 HA ASP 38 -1.018 -17.520 7.871 320 HB2 ASP 38 2HB ASP 38 -2.559 -17.498 9.797 321 HB3 ASP 38 3HB ASP 38 -3.512 -16.215 9.057 322 H GLU 39 H GLU 39 -1.056 -17.541 5.725 323 HA GLU 39 HA GLU 39 -1.646 -15.259 4.148 324 HB2 GLU 39 2HB GLU 39 -1.157 -18.091 3.151 325 HB3 GLU 39 3HB GLU 39 -0.994 -16.603 2.222 326 HG2 GLU 39 2HG GLU 39 0.825 -15.909 3.849 327 HG3 GLU 39 3HG GLU 39 0.757 -17.537 4.515 328 H LYS 40 H LYS 40 -3.757 -17.723 5.276 329 HA LYS 40 HA LYS 40 -5.604 -17.701 3.036 330 HB2 LYS 40 2HB LYS 40 -6.129 -18.623 5.891 331 HB3 LYS 40 3HB LYS 40 -7.089 -19.016 4.474 332 HG2 LYS 40 2HG LYS 40 -4.245 -19.930 4.990 333 HG3 LYS 40 3HG LYS 40 -5.702 -20.903 5.204 334 HD2 LYS 40 2HD LYS 40 -6.170 -20.590 2.737 335 HD3 LYS 40 3HD LYS 40 -4.590 -19.816 2.592 336 HE2 LYS 40 2HE LYS 40 -4.424 -22.146 1.922 337 HE3 LYS 40 3HE LYS 40 -3.525 -21.913 3.421 338 HZ1 LYS 40 3HZ LYS 40 -5.396 -22.838 4.643 339 HZ2 LYS 40 1HZ LYS 40 -4.858 -23.933 3.471 340 HZ3 LYS 40 2HZ LYS 40 -6.270 -23.042 3.210 341 H ARG 41 H ARG 41 -5.640 -16.351 6.352 342 HA ARG 41 HA ARG 41 -7.972 -14.740 6.141 343 HB2 ARG 41 2HB ARG 41 -5.504 -14.280 7.870 344 HB3 ARG 41 3HB ARG 41 -7.079 -13.534 8.123 345 HG2 ARG 41 2HG ARG 41 -8.051 -15.729 8.660 346 HG3 ARG 41 3HG ARG 41 -6.498 -16.503 8.331 347 HD2 ARG 41 2HD ARG 41 -5.530 -14.957 10.160 348 HD3 ARG 41 3HD ARG 41 -7.209 -14.639 10.606 349 HE ARG 41 HE ARG 41 -7.197 -17.294 10.678 350 HH11 ARG 41 1HH1 ARG 41 -4.835 -15.024 11.948 351 HH12 ARG 41 2HH1 ARG 41 -4.334 -16.067 13.239 352 HH21 ARG 41 1HH2 ARG 41 -6.507 -18.688 12.384 353 HH22 ARG 41 2HH2 ARG 41 -5.284 -18.147 13.489 354 H LEU 42 H LEU 42 -4.657 -14.302 5.241 355 HA LEU 42 HA LEU 42 -4.514 -11.556 4.707 356 HB2 LEU 42 2HB LEU 42 -2.599 -12.987 4.940 357 HB3 LEU 42 3HB LEU 42 -3.083 -13.994 3.599 358 HG LEU 42 HG LEU 42 -2.174 -11.110 3.219 359 HD11 LEU 42 1HD1 LEU 42 -0.502 -13.641 3.140 360 HD12 LEU 42 2HD1 LEU 42 -0.398 -12.349 4.339 361 HD13 LEU 42 3HD1 LEU 42 0.045 -12.028 2.666 362 HD21 LEU 42 3HD2 LEU 42 -1.643 -11.838 0.909 363 HD22 LEU 42 1HD2 LEU 42 -3.358 -12.024 1.262 364 HD23 LEU 42 2HD2 LEU 42 -2.306 -13.439 1.252 365 H GLU 43 H GLU 43 -5.496 -14.325 2.605 366 HA GLU 43 HA GLU 43 -5.815 -12.841 0.216 367 HB2 GLU 43 2HB GLU 43 -5.638 -15.330 0.260 368 HB3 GLU 43 3HB GLU 43 -7.228 -15.434 1.008 369 HG2 GLU 43 2HG GLU 43 -8.165 -14.278 -1.037 370 HG3 GLU 43 3HG GLU 43 -6.570 -14.412 -1.769 371 H GLU 44 H GLU 44 -7.988 -13.519 2.903 372 HA GLU 44 HA GLU 44 -10.376 -12.410 1.771 373 HB2 GLU 44 2HB GLU 44 -9.586 -12.721 4.701 374 HB3 GLU 44 3HB GLU 44 -11.212 -12.395 4.107 375 HG2 GLU 44 2HG GLU 44 -11.293 -14.583 3.023 376 HG3 GLU 44 3HG GLU 44 -9.629 -14.912 3.512 377 H LYS 45 H LYS 45 -7.770 -11.171 3.829 378 HA LYS 45 HA LYS 45 -8.697 -8.582 4.324 379 HB2 LYS 45 2HB LYS 45 -6.801 -9.594 5.550 380 HB3 LYS 45 3HB LYS 45 -5.831 -9.602 4.088 381 HG2 LYS 45 2HG LYS 45 -4.980 -7.804 5.305 382 HG3 LYS 45 3HG LYS 45 -6.035 -7.028 4.134 383 HD2 LYS 45 2HD LYS 45 -6.891 -7.642 6.984 384 HD3 LYS 45 3HD LYS 45 -6.099 -6.137 6.524 385 HE2 LYS 45 2HE LYS 45 -7.938 -5.580 5.028 386 HE3 LYS 45 3HE LYS 45 -8.729 -7.121 5.380 387 HZ1 LYS 45 3HZ LYS 45 -8.190 -4.947 7.327 388 HZ2 LYS 45 1HZ LYS 45 -8.910 -6.433 7.703 389 HZ3 LYS 45 2HZ LYS 45 -9.697 -5.347 6.676 390 H ILE 46 H ILE 46 -6.801 -9.887 1.642 391 HA ILE 46 HA ILE 46 -6.288 -7.593 0.143 392 HB ILE 46 HB ILE 46 -6.861 -10.443 -0.814 393 HG12 ILE 46 2HG1 ILE 46 -4.226 -8.921 -0.470 394 HG13 ILE 46 3HG1 ILE 46 -4.790 -10.259 0.520 395 HG21 ILE 46 1HG2 ILE 46 -5.918 -9.827 -3.018 396 HG22 ILE 46 2HG2 ILE 46 -5.802 -8.143 -2.501 397 HG23 ILE 46 3HG2 ILE 46 -7.382 -8.911 -2.662 398 HD11 ILE 46 3HD1 ILE 46 -4.603 -11.749 -1.440 399 HD12 ILE 46 1HD1 ILE 46 -3.069 -11.000 -0.991 400 HD13 ILE 46 2HD1 ILE 46 -3.970 -10.394 -2.381 401 H GLN 47 H GLN 47 -9.154 -9.749 0.106 402 HA GLN 47 HA GLN 47 -10.584 -8.399 -1.955 403 HB2 GLN 47 2HB GLN 47 -11.804 -10.086 0.277 404 HB3 GLN 47 3HB GLN 47 -12.526 -9.729 -1.286 405 HG2 GLN 47 2HG GLN 47 -10.160 -11.525 -0.714 406 HG3 GLN 47 3HG GLN 47 -11.750 -12.001 -1.296 407 HE21 GLN 47 1HE2 GLN 47 -8.667 -10.686 -2.147 408 HE22 GLN 47 2HE2 GLN 47 -8.880 -10.713 -3.860 409 H LYS 48 H LYS 48 -10.540 -7.981 1.568 410 HA LYS 48 HA LYS 48 -12.837 -6.321 1.839 411 HB2 LYS 48 2HB LYS 48 -10.365 -6.571 3.609 412 HB3 LYS 48 3HB LYS 48 -11.816 -5.687 4.069 413 HG2 LYS 48 2HG LYS 48 -11.631 -8.668 3.544 414 HG3 LYS 48 3HG LYS 48 -11.750 -7.891 5.124 415 HD2 LYS 48 2HD LYS 48 -13.993 -7.042 4.554 416 HD3 LYS 48 3HD LYS 48 -13.874 -7.765 2.947 417 HE2 LYS 48 2HE LYS 48 -13.717 -10.013 3.993 418 HE3 LYS 48 3HE LYS 48 -13.899 -9.272 5.584 419 HZ1 LYS 48 3HZ LYS 48 -15.913 -9.113 3.403 420 HZ2 LYS 48 1HZ LYS 48 -16.094 -8.530 4.980 421 HZ3 LYS 48 2HZ LYS 48 -15.982 -10.194 4.697 422 H LEU 49 H LEU 49 -9.398 -5.618 1.456 423 HA LEU 49 HA LEU 49 -9.644 -2.763 1.535 424 HB2 LEU 49 2HB LEU 49 -7.406 -4.614 0.664 425 HB3 LEU 49 3HB LEU 49 -7.236 -2.866 0.725 426 HG LEU 49 HG LEU 49 -7.900 -4.584 3.147 427 HD11 LEU 49 1HD1 LEU 49 -5.664 -5.165 2.341 428 HD12 LEU 49 2HD1 LEU 49 -5.557 -4.261 3.850 429 HD13 LEU 49 3HD1 LEU 49 -5.201 -3.461 2.317 430 HD21 LEU 49 3HD2 LEU 49 -7.357 -2.570 4.431 431 HD22 LEU 49 1HD2 LEU 49 -8.681 -2.264 3.311 432 HD23 LEU 49 2HD2 LEU 49 -7.058 -1.676 2.941 433 H LYS 50 H LYS 50 -9.518 -5.167 -1.109 434 HA LYS 50 HA LYS 50 -9.414 -3.249 -3.235 435 HB2 LYS 50 2HB LYS 50 -10.294 -6.175 -3.274 436 HB3 LYS 50 3HB LYS 50 -10.051 -5.182 -4.711 437 HG2 LYS 50 2HG LYS 50 -7.626 -4.834 -3.779 438 HG3 LYS 50 3HG LYS 50 -7.989 -6.226 -2.767 439 HD2 LYS 50 2HD LYS 50 -6.785 -6.929 -4.781 440 HD3 LYS 50 3HD LYS 50 -8.426 -7.587 -4.796 441 HE2 LYS 50 2HE LYS 50 -9.151 -5.877 -6.345 442 HE3 LYS 50 3HE LYS 50 -7.585 -5.065 -6.255 443 HZ1 LYS 50 3HZ LYS 50 -6.549 -6.913 -7.328 444 HZ2 LYS 50 1HZ LYS 50 -7.879 -6.442 -8.263 445 HZ3 LYS 50 2HZ LYS 50 -7.977 -7.823 -7.288 446 H SER 51 H SER 51 -12.005 -4.773 -1.427 447 HA SER 51 HA SER 51 -14.223 -3.773 -2.833 448 HB2 SER 51 2HB SER 51 -14.405 -5.490 -1.088 449 HB3 SER 51 3HB SER 51 -13.881 -4.338 0.138 450 HG SER 51 HG SER 51 -15.826 -3.554 0.219 451 H GLN 52 H GLN 52 -12.111 -2.261 -0.427 452 HA GLN 52 HA GLN 52 -13.609 0.218 -0.242 453 HB2 GLN 52 2HB GLN 52 -10.745 -0.400 0.587 454 HB3 GLN 52 3HB GLN 52 -11.623 1.070 1.002 455 HG2 GLN 52 2HG GLN 52 -13.267 -0.285 2.269 456 HG3 GLN 52 3HG GLN 52 -12.360 -1.742 1.872 457 HE21 GLN 52 1HE2 GLN 52 -9.731 -0.432 2.242 458 HE22 GLN 52 2HE2 GLN 52 -9.529 -0.255 3.946 459 H GLY 53 H GLY 53 -11.215 -1.067 -2.415 460 HA2 GLY 53 2HA GLY 53 -11.275 -0.157 -4.675 461 HA3 GLY 53 3HA GLY 53 -11.326 1.457 -3.991 462 H PHE 54 H PHE 54 -9.193 -1.200 -2.993 463 HA PHE 54 HA PHE 54 -6.829 0.365 -3.890 464 HB2 PHE 54 2HB PHE 54 -7.053 -1.679 -1.629 465 HB3 PHE 54 3HB PHE 54 -5.575 -0.835 -2.090 466 HD1 PHE 54 HD2 PHE 54 -5.792 1.825 -2.114 467 HD2 PHE 54 HD1 PHE 54 -8.297 -0.774 0.166 468 HE1 PHE 54 HE2 PHE 54 -6.371 3.689 -0.619 469 HE2 PHE 54 HE1 PHE 54 -8.879 1.094 1.656 470 HZ PHE 54 HZ PHE 54 -7.921 3.325 1.261 471 H GLU 55 H GLU 55 -5.149 -0.734 -4.973 472 HA GLU 55 HA GLU 55 -5.830 -3.361 -6.102 473 HB2 GLU 55 2HB GLU 55 -5.014 -1.540 -7.637 474 HB3 GLU 55 3HB GLU 55 -3.458 -1.578 -6.822 475 HG2 GLU 55 2HG GLU 55 -3.458 -2.829 -8.957 476 HG3 GLU 55 3HG GLU 55 -3.047 -3.844 -7.576 477 H VAL 56 H VAL 56 -5.563 -4.677 -4.364 478 HA VAL 56 HA VAL 56 -3.109 -4.583 -2.752 479 HB VAL 56 HB VAL 56 -5.584 -6.315 -2.288 480 HG11 VAL 56 1HG1 VAL 56 -4.768 -6.397 0.054 481 HG12 VAL 56 2HG1 VAL 56 -3.345 -5.457 -0.402 482 HG13 VAL 56 3HG1 VAL 56 -3.588 -7.073 -1.068 483 HG21 VAL 56 3HG2 VAL 56 -6.372 -4.587 -0.759 484 HG22 VAL 56 1HG2 VAL 56 -6.205 -3.927 -2.382 485 HG23 VAL 56 2HG2 VAL 56 -4.995 -3.559 -1.149 486 H ARG 57 H ARG 57 -1.620 -6.172 -2.752 487 HA ARG 57 HA ARG 57 -1.967 -8.559 -4.431 488 HB2 ARG 57 2HB ARG 57 0.314 -6.541 -4.653 489 HB3 ARG 57 3HB ARG 57 0.355 -8.140 -5.389 490 HG2 ARG 57 2HG ARG 57 -1.686 -5.989 -6.018 491 HG3 ARG 57 3HG ARG 57 -0.262 -6.344 -7.001 492 HD2 ARG 57 2HD ARG 57 -1.113 -8.505 -7.617 493 HD3 ARG 57 3HD ARG 57 -2.363 -8.449 -6.372 494 HE ARG 57 HE ARG 57 -3.426 -6.650 -7.667 495 HH11 ARG 57 1HH1 ARG 57 -1.262 -8.808 -9.391 496 HH12 ARG 57 2HH1 ARG 57 -2.020 -8.516 -10.922 497 HH21 ARG 57 1HH2 ARG 57 -4.417 -6.324 -9.652 498 HH22 ARG 57 2HH2 ARG 57 -3.808 -7.114 -11.073 499 H LYS 58 H LYS 58 -0.704 -10.291 -3.870 500 HA LYS 58 HA LYS 58 0.209 -10.372 -1.101 501 HB2 LYS 58 2HB LYS 58 -1.291 -12.132 -1.662 502 HB3 LYS 58 3HB LYS 58 -0.538 -12.415 -3.223 503 HG2 LYS 58 2HG LYS 58 -0.141 -14.262 -1.665 504 HG3 LYS 58 3HG LYS 58 1.359 -13.490 -2.168 505 HD2 LYS 58 2HD LYS 58 1.427 -12.255 -0.018 506 HD3 LYS 58 3HD LYS 58 -0.051 -13.081 0.485 507 HE2 LYS 58 2HE LYS 58 1.069 -15.225 0.475 508 HE3 LYS 58 3HE LYS 58 2.515 -14.521 -0.256 509 HZ1 LYS 58 3HZ LYS 58 2.790 -14.857 2.113 510 HZ2 LYS 58 1HZ LYS 58 1.455 -13.876 2.438 511 HZ3 LYS 58 2HZ LYS 58 2.842 -13.208 1.741 512 H VAL 59 H VAL 59 2.287 -10.457 -0.525 513 HA VAL 59 HA VAL 59 4.431 -11.089 -2.465 514 HB VAL 59 HB VAL 59 5.868 -9.353 -1.292 515 HG11 VAL 59 1HG1 VAL 59 4.890 -8.861 -3.503 516 HG12 VAL 59 2HG1 VAL 59 4.975 -7.405 -2.515 517 HG13 VAL 59 3HG1 VAL 59 3.430 -8.230 -2.735 518 HG21 VAL 59 3HG2 VAL 59 4.727 -7.562 0.006 519 HG22 VAL 59 1HG2 VAL 59 4.578 -9.135 0.789 520 HG23 VAL 59 2HG2 VAL 59 3.209 -8.455 -0.095 521 H LYS 60 H LYS 60 6.549 -11.550 -1.184 522 HA LYS 60 HA LYS 60 5.862 -13.526 0.876 523 HB2 LYS 60 2HB LYS 60 8.422 -13.148 -0.716 524 HB3 LYS 60 3HB LYS 60 8.152 -14.435 0.450 525 HG2 LYS 60 2HG LYS 60 6.286 -14.129 -1.905 526 HG3 LYS 60 3HG LYS 60 7.858 -14.885 -2.120 527 HD2 LYS 60 2HD LYS 60 6.288 -16.652 -1.801 528 HD3 LYS 60 3HD LYS 60 7.223 -16.542 -0.313 529 HE2 LYS 60 2HE LYS 60 5.374 -15.415 0.802 530 HE3 LYS 60 3HE LYS 60 4.453 -15.362 -0.703 531 HZ1 LYS 60 3HZ LYS 60 5.290 -17.842 0.702 532 HZ2 LYS 60 1HZ LYS 60 4.366 -17.763 -0.709 533 HZ3 LYS 60 2HZ LYS 60 3.740 -17.178 0.747 534 H ASP 61 H ASP 61 8.532 -11.158 0.411 535 HA ASP 61 HA ASP 61 8.513 -10.538 3.299 536 HB2 ASP 61 2HB ASP 61 10.994 -11.310 1.688 537 HB3 ASP 61 3HB ASP 61 11.041 -10.640 3.314 538 H ASP 62 H ASP 62 10.458 -8.745 3.541 539 HA ASP 62 HA ASP 62 9.444 -6.400 2.323 540 HB2 ASP 62 2HB ASP 62 11.277 -5.215 3.512 541 HB3 ASP 62 3HB ASP 62 10.441 -6.341 4.571 542 H ASP 63 H ASP 63 12.430 -8.255 1.710 543 HA ASP 63 HA ASP 63 13.516 -6.724 -0.349 544 HB2 ASP 63 2HB ASP 63 14.601 -8.736 0.709 545 HB3 ASP 63 3HB ASP 63 13.600 -9.769 -0.315 546 H ASP 64 H ASP 64 10.907 -9.066 -0.535 547 HA ASP 64 HA ASP 64 10.587 -9.060 -3.383 548 HB2 ASP 64 2HB ASP 64 8.543 -9.737 -1.214 549 HB3 ASP 64 3HB ASP 64 8.385 -10.116 -2.931 550 H ILE 65 H ILE 65 9.155 -7.259 -0.740 551 HA ILE 65 HA ILE 65 7.305 -5.634 -2.110 552 HB ILE 65 HB ILE 65 8.900 -5.147 0.446 553 HG12 ILE 65 2HG1 ILE 65 5.959 -5.904 0.062 554 HG13 ILE 65 3HG1 ILE 65 7.246 -7.045 0.427 555 HG21 ILE 65 1HG2 ILE 65 8.289 -2.942 -0.437 556 HG22 ILE 65 2HG2 ILE 65 7.358 -3.305 1.012 557 HG23 ILE 65 3HG2 ILE 65 6.601 -3.434 -0.575 558 HD11 ILE 65 3HD1 ILE 65 7.621 -5.939 2.568 559 HD12 ILE 65 1HD1 ILE 65 5.966 -6.515 2.393 560 HD13 ILE 65 2HD1 ILE 65 6.322 -4.802 2.205 561 H ASP 66 H ASP 66 10.702 -5.010 -1.263 562 HA ASP 66 HA ASP 66 11.050 -2.455 -2.268 563 HB2 ASP 66 2HB ASP 66 12.629 -3.572 -0.754 564 HB3 ASP 66 3HB ASP 66 13.016 -4.774 -1.979 565 H LYS 67 H LYS 67 11.713 -5.553 -3.847 566 HA LYS 67 HA LYS 67 12.347 -4.412 -6.420 567 HB2 LYS 67 2HB LYS 67 12.363 -7.118 -5.229 568 HB3 LYS 67 3HB LYS 67 11.807 -7.138 -6.892 569 HG2 LYS 67 2HG LYS 67 14.205 -7.549 -6.796 570 HG3 LYS 67 3HG LYS 67 13.878 -6.033 -7.628 571 HD2 LYS 67 2HD LYS 67 15.811 -5.790 -6.160 572 HD3 LYS 67 3HD LYS 67 14.485 -4.780 -5.591 573 HE2 LYS 67 2HE LYS 67 13.970 -6.365 -3.823 574 HE3 LYS 67 3HE LYS 67 15.165 -7.504 -4.436 575 HZ1 LYS 67 3HZ LYS 67 16.913 -5.989 -3.849 576 HZ2 LYS 67 1HZ LYS 67 15.928 -6.217 -2.499 577 HZ3 LYS 67 2HZ LYS 67 15.812 -4.795 -3.400 578 H TRP 68 H TRP 68 9.378 -5.410 -4.902 579 HA TRP 68 HA TRP 68 7.758 -5.613 -7.226 580 HB2 TRP 68 2HB TRP 68 7.150 -6.390 -4.857 581 HB3 TRP 68 3HB TRP 68 6.765 -4.715 -4.491 582 HD1 TRP 68 HD1 TRP 68 5.446 -7.758 -6.391 583 HE1 TRP 68 HE1 TRP 68 3.020 -7.318 -7.089 584 HE3 TRP 68 HE3 TRP 68 5.116 -2.790 -5.166 585 HZ2 TRP 68 HZ2 TRP 68 1.212 -5.178 -7.140 586 HZ3 TRP 68 HZ3 TRP 68 2.985 -1.630 -5.570 587 HH2 TRP 68 HH2 TRP 68 1.081 -2.806 -6.535 588 H ILE 69 H ILE 69 8.738 -2.896 -5.207 589 HA ILE 69 HA ILE 69 7.139 -0.889 -6.499 590 HB ILE 69 HB ILE 69 9.452 -0.862 -4.553 591 HG12 ILE 69 2HG1 ILE 69 7.875 0.567 -3.227 592 HG13 ILE 69 3HG1 ILE 69 6.706 0.482 -4.529 593 HG21 ILE 69 1HG2 ILE 69 10.190 0.886 -6.084 594 HG22 ILE 69 2HG2 ILE 69 9.605 1.625 -4.598 595 HG23 ILE 69 3HG2 ILE 69 8.599 1.653 -6.050 596 HD11 ILE 69 3HD1 ILE 69 6.519 -1.956 -4.153 597 HD12 ILE 69 1HD1 ILE 69 6.085 -0.989 -2.742 598 HD13 ILE 69 2HD1 ILE 69 7.647 -1.801 -2.799 599 H ASP 70 H ASP 70 10.337 -2.250 -7.010 600 HA ASP 70 HA ASP 70 11.331 -0.450 -8.942 601 HB2 ASP 70 2HB ASP 70 12.807 -1.964 -7.752 602 HB3 ASP 70 3HB ASP 70 11.973 -3.374 -8.388 603 H LYS 71 H LYS 71 9.504 -3.527 -9.320 604 HA LYS 71 HA LYS 71 9.588 -3.468 -12.184 605 HB2 LYS 71 2HB LYS 71 8.015 -5.358 -12.119 606 HB3 LYS 71 3HB LYS 71 9.337 -5.596 -10.987 607 HG2 LYS 71 2HG LYS 71 7.780 -4.769 -9.163 608 HG3 LYS 71 3HG LYS 71 6.476 -4.851 -10.343 609 HD2 LYS 71 2HD LYS 71 8.197 -7.203 -9.454 610 HD3 LYS 71 3HD LYS 71 6.571 -6.855 -8.868 611 HE2 LYS 71 2HE LYS 71 5.675 -7.184 -11.133 612 HE3 LYS 71 3HE LYS 71 7.300 -7.510 -11.741 613 HZ1 LYS 71 3HZ LYS 71 7.420 -9.459 -10.361 614 HZ2 LYS 71 1HZ LYS 71 6.011 -9.537 -11.298 615 HZ3 LYS 71 2HZ LYS 71 5.919 -9.118 -9.657 616 H ILE 72 H ILE 72 7.431 -2.059 -9.801 617 HA ILE 72 HA ILE 72 5.344 -1.264 -11.624 618 HB ILE 72 HB ILE 72 6.131 -0.150 -8.890 619 HG12 ILE 72 2HG1 ILE 72 5.241 -2.481 -8.873 620 HG13 ILE 72 3HG1 ILE 72 4.192 -1.362 -8.020 621 HG21 ILE 72 1HG2 ILE 72 3.930 1.000 -8.846 622 HG22 ILE 72 2HG2 ILE 72 3.671 0.552 -10.535 623 HG23 ILE 72 3HG2 ILE 72 4.995 1.634 -10.100 624 HD11 ILE 72 3HD1 ILE 72 2.668 -1.334 -9.931 625 HD12 ILE 72 1HD1 ILE 72 2.922 -2.970 -9.322 626 HD13 ILE 72 2HD1 ILE 72 3.731 -2.444 -10.799 627 H LYS 73 H LYS 73 8.380 0.208 -10.511 628 HA LYS 73 HA LYS 73 8.129 2.698 -11.858 629 HB2 LYS 73 2HB LYS 73 10.537 1.109 -10.909 630 HB3 LYS 73 3HB LYS 73 10.725 2.664 -11.698 631 HG2 LYS 73 2HG LYS 73 8.941 2.493 -9.284 632 HG3 LYS 73 3HG LYS 73 10.683 2.421 -9.054 633 HD2 LYS 73 2HD LYS 73 9.919 4.708 -8.765 634 HD3 LYS 73 3HD LYS 73 10.933 4.602 -10.201 635 HE2 LYS 73 2HE LYS 73 8.873 4.562 -11.602 636 HE3 LYS 73 3HE LYS 73 7.902 4.762 -10.141 637 HZ1 LYS 73 3HZ LYS 73 9.896 6.690 -11.209 638 HZ2 LYS 73 1HZ LYS 73 9.051 6.885 -9.759 639 HZ3 LYS 73 2HZ LYS 73 8.217 6.870 -11.226 640 H LYS 74 H LYS 74 8.934 -0.509 -12.997 641 HA LYS 74 HA LYS 74 9.964 0.376 -15.559 642 HB2 LYS 74 2HB LYS 74 10.791 -1.711 -14.526 643 HB3 LYS 74 3HB LYS 74 9.174 -2.405 -14.574 644 HG2 LYS 74 2HG LYS 74 9.207 -2.375 -17.025 645 HG3 LYS 74 3HG LYS 74 10.797 -1.611 -17.024 646 HD2 LYS 74 2HD LYS 74 10.171 -4.365 -15.897 647 HD3 LYS 74 3HD LYS 74 10.888 -4.061 -17.480 648 HE2 LYS 74 2HE LYS 74 12.851 -3.044 -16.412 649 HE3 LYS 74 3HE LYS 74 12.128 -3.289 -14.817 650 HZ1 LYS 74 3HZ LYS 74 12.885 -5.429 -16.730 651 HZ2 LYS 74 1HZ LYS 74 12.171 -5.684 -15.223 652 HZ3 LYS 74 2HZ LYS 74 13.720 -5.024 -15.321 653 H GLU 75 H GLU 75 6.909 -0.983 -14.297 654 HA GLU 75 HA GLU 75 5.536 -1.219 -16.775 655 HB2 GLU 75 2HB GLU 75 4.402 -0.864 -13.966 656 HB3 GLU 75 3HB GLU 75 3.449 -1.315 -15.372 657 HG2 GLU 75 2HG GLU 75 5.686 -2.951 -14.159 658 HG3 GLU 75 3HG GLU 75 3.964 -3.236 -13.944 659 H ARG 76 H ARG 76 5.520 1.286 -14.306 660 HA ARG 76 HA ARG 76 4.384 3.266 -16.161 661 HB2 ARG 76 2HB ARG 76 3.492 2.800 -13.274 662 HB3 ARG 76 3HB ARG 76 2.913 4.084 -14.329 663 HG2 ARG 76 2HG ARG 76 1.817 2.460 -15.783 664 HG3 ARG 76 3HG ARG 76 2.505 1.125 -14.861 665 HD2 ARG 76 2HD ARG 76 1.194 1.809 -12.885 666 HD3 ARG 76 3HD ARG 76 0.510 3.154 -13.809 667 HE ARG 76 HE ARG 76 0.058 0.762 -15.213 668 HH11 ARG 76 1HH1 ARG 76 -1.079 2.361 -12.294 669 HH12 ARG 76 2HH1 ARG 76 -2.631 1.589 -12.328 670 HH21 ARG 76 1HH2 ARG 76 -1.955 -0.250 -15.240 671 HH22 ARG 76 2HH2 ARG 76 -3.130 0.094 -14.015 672 HA PRO 77 HA PRO 77 8.332 4.808 -14.218 673 HB2 PRO 77 2HB PRO 77 8.420 6.423 -16.745 674 HB3 PRO 77 3HB PRO 77 9.652 5.364 -16.026 675 HG2 PRO 77 2HG PRO 77 8.316 4.635 -18.216 676 HG3 PRO 77 3HG PRO 77 8.775 3.443 -16.976 677 HD2 PRO 77 2HD PRO 77 6.096 4.731 -17.459 678 HD3 PRO 77 3HD PRO 77 6.482 3.043 -17.063 679 H GLN 78 H GLN 78 5.677 6.646 -15.734 680 HA GLN 78 HA GLN 78 6.639 9.248 -15.020 681 HB2 GLN 78 2HB GLN 78 3.883 8.412 -15.981 682 HB3 GLN 78 3HB GLN 78 4.466 10.071 -15.893 683 HG2 GLN 78 2HG GLN 78 6.222 9.520 -17.560 684 HG3 GLN 78 3HG GLN 78 5.589 7.881 -17.663 685 HE21 GLN 78 1HE2 GLN 78 2.773 8.723 -17.552 686 HE22 GLN 78 2HE2 GLN 78 2.418 9.434 -19.080 687 H LEU 79 H LEU 79 5.032 6.950 -13.088 688 HA LEU 79 HA LEU 79 4.153 9.065 -11.216 689 HB2 LEU 79 2HB LEU 79 2.765 7.194 -10.130 690 HB3 LEU 79 3HB LEU 79 2.213 7.855 -11.653 691 HG LEU 79 HG LEU 79 3.253 5.821 -12.799 692 HD11 LEU 79 1HD1 LEU 79 3.552 3.768 -11.448 693 HD12 LEU 79 2HD1 LEU 79 3.428 4.740 -9.981 694 HD13 LEU 79 3HD1 LEU 79 4.759 5.006 -11.105 695 HD21 LEU 79 3HD2 LEU 79 0.935 5.336 -10.901 696 HD22 LEU 79 1HD2 LEU 79 1.325 4.361 -12.320 697 HD23 LEU 79 2HD2 LEU 79 0.837 6.040 -12.514 698 H GLU 80 H GLU 80 4.722 8.878 -9.003 699 HA GLU 80 HA GLU 80 7.238 7.390 -8.604 700 HB2 GLU 80 2HB GLU 80 6.130 9.741 -7.024 701 HB3 GLU 80 3HB GLU 80 7.716 9.004 -6.816 702 HG2 GLU 80 2HG GLU 80 6.707 10.674 -9.116 703 HG3 GLU 80 3HG GLU 80 8.110 10.960 -8.082 704 H VAL 81 H VAL 81 7.564 6.053 -6.866 705 HA VAL 81 HA VAL 81 5.067 5.006 -5.659 706 HB VAL 81 HB VAL 81 7.556 3.304 -6.160 707 HG11 VAL 81 1HG1 VAL 81 5.795 2.382 -4.730 708 HG12 VAL 81 2HG1 VAL 81 5.936 1.466 -6.228 709 HG13 VAL 81 3HG1 VAL 81 4.605 2.605 -6.017 710 HG21 VAL 81 3HG2 VAL 81 6.694 2.587 -8.357 711 HG22 VAL 81 1HG2 VAL 81 7.065 4.313 -8.356 712 HG23 VAL 81 2HG2 VAL 81 5.388 3.773 -8.253 713 H ARG 82 H ARG 82 5.012 5.042 -3.461 714 HA ARG 82 HA ARG 82 7.533 5.287 -1.904 715 HB2 ARG 82 2HB ARG 82 4.702 6.116 -1.150 716 HB3 ARG 82 3HB ARG 82 6.066 6.163 -0.044 717 HG2 ARG 82 2HG ARG 82 5.823 7.785 -2.583 718 HG3 ARG 82 3HG ARG 82 5.456 8.368 -0.963 719 HD2 ARG 82 2HD ARG 82 7.638 9.178 -1.548 720 HD3 ARG 82 3HD ARG 82 7.859 7.914 -0.337 721 HE ARG 82 HE ARG 82 8.066 6.993 -3.068 722 HH11 ARG 82 1HH1 ARG 82 9.903 8.382 -0.405 723 HH12 ARG 82 2HH1 ARG 82 11.417 7.777 -0.992 724 HH21 ARG 82 1HH2 ARG 82 10.052 6.163 -3.779 725 HH22 ARG 82 2HH2 ARG 82 11.502 6.521 -2.902 726 H LYS 83 H LYS 83 7.982 3.820 -0.319 727 HA LYS 83 HA LYS 83 6.094 1.601 0.166 728 HB2 LYS 83 2HB LYS 83 8.999 1.872 1.060 729 HB3 LYS 83 3HB LYS 83 7.971 0.458 1.277 730 HG2 LYS 83 2HG LYS 83 7.802 0.323 -1.247 731 HG3 LYS 83 3HG LYS 83 9.043 1.571 -1.320 732 HD2 LYS 83 2HD LYS 83 9.308 -1.199 -0.118 733 HD3 LYS 83 3HD LYS 83 10.074 -0.614 -1.598 734 HE2 LYS 83 2HE LYS 83 11.248 1.123 -0.119 735 HE3 LYS 83 3HE LYS 83 10.663 0.181 1.257 736 HZ1 LYS 83 3HZ LYS 83 12.903 -0.471 0.673 737 HZ2 LYS 83 1HZ LYS 83 12.432 -0.817 -0.914 738 HZ3 LYS 83 2HZ LYS 83 11.843 -1.747 0.366 739 H VAL 84 H VAL 84 4.778 1.932 1.784 740 HA VAL 84 HA VAL 84 5.593 3.537 4.146 741 HB VAL 84 HB VAL 84 2.843 3.183 2.843 742 HG11 VAL 84 1HG1 VAL 84 2.572 3.207 5.271 743 HG12 VAL 84 2HG1 VAL 84 1.940 4.687 4.558 744 HG13 VAL 84 3HG1 VAL 84 3.498 4.705 5.386 745 HG21 VAL 84 3HG2 VAL 84 2.970 5.628 2.427 746 HG22 VAL 84 1HG2 VAL 84 4.306 4.776 1.655 747 HG23 VAL 84 2HG2 VAL 84 4.580 5.677 3.146 748 H THR 85 H THR 85 6.394 1.866 5.354 749 HA THR 85 HA THR 85 5.131 -0.734 5.464 750 HB THR 85 HB THR 85 7.041 -1.343 6.924 751 HG1 THR 85 HG1 THR 85 7.489 0.508 8.035 752 HG21 THR 85 3HG2 THR 85 8.847 -1.012 5.270 753 HG22 THR 85 1HG2 THR 85 7.884 0.212 4.441 754 HG23 THR 85 2HG2 THR 85 7.346 -1.472 4.467 755 H ASP 86 H ASP 86 5.085 2.148 7.332 756 HA ASP 86 HA ASP 86 3.408 0.893 9.390 757 HB2 ASP 86 2HB ASP 86 4.537 2.235 11.183 758 HB3 ASP 86 3HB ASP 86 5.588 1.029 10.455 759 H GLU 87 H GLU 87 2.161 2.368 10.597 760 HA GLU 87 HA GLU 87 0.559 4.033 9.075 761 HB2 GLU 87 2HB GLU 87 -0.617 4.539 11.128 762 HB3 GLU 87 3HB GLU 87 -0.109 2.863 11.163 763 HG2 GLU 87 2HG GLU 87 1.131 5.165 12.677 764 HG3 GLU 87 3HG GLU 87 0.152 3.868 13.355 765 H ASP 88 H ASP 88 3.358 4.926 11.083 766 HA ASP 88 HA ASP 88 2.854 7.692 11.294 767 HB2 ASP 88 2HB ASP 88 4.405 6.474 12.787 768 HB3 ASP 88 3HB ASP 88 5.513 6.209 11.446 769 H GLN 89 H GLN 89 4.577 5.794 8.858 770 HA GLN 89 HA GLN 89 5.500 7.999 7.285 771 HB2 GLN 89 2HB GLN 89 4.959 5.104 6.501 772 HB3 GLN 89 3HB GLN 89 5.723 6.291 5.445 773 HG2 GLN 89 2HG GLN 89 7.582 6.520 7.076 774 HG3 GLN 89 3HG GLN 89 6.813 5.294 8.089 775 HE21 GLN 89 1HE2 GLN 89 6.870 3.130 7.414 776 HE22 GLN 89 2HE2 GLN 89 7.950 2.570 6.189 777 H ALA 90 H ALA 90 2.499 6.100 7.322 778 HA ALA 90 HA ALA 90 1.327 7.213 4.972 779 HB1 ALA 90 3HB ALA 90 0.558 5.084 5.897 780 HB2 ALA 90 1HB ALA 90 -0.783 6.223 5.767 781 HB3 ALA 90 2HB ALA 90 -0.041 5.901 7.338 782 H LYS 91 H LYS 91 1.325 8.188 8.347 783 HA LYS 91 HA LYS 91 -0.573 10.332 8.117 784 HB2 LYS 91 2HB LYS 91 1.613 9.863 10.188 785 HB3 LYS 91 3HB LYS 91 0.319 11.052 10.338 786 HG2 LYS 91 2HG LYS 91 -1.356 9.272 10.418 787 HG3 LYS 91 3HG LYS 91 -0.107 8.052 10.151 788 HD2 LYS 91 2HD LYS 91 0.970 8.819 12.319 789 HD3 LYS 91 3HD LYS 91 -0.453 9.830 12.591 790 HE2 LYS 91 2HE LYS 91 -1.884 7.803 12.557 791 HE3 LYS 91 3HE LYS 91 -0.448 6.804 12.304 792 HZ1 LYS 91 3HZ LYS 91 -1.090 6.835 14.625 793 HZ2 LYS 91 1HZ LYS 91 -0.973 8.523 14.671 794 HZ3 LYS 91 2HZ LYS 91 0.413 7.583 14.431 795 H GLN 92 H GLN 92 2.946 10.029 7.907 796 HA GLN 92 HA GLN 92 3.588 12.779 7.828 797 HB2 GLN 92 2HB GLN 92 5.303 11.118 8.344 798 HB3 GLN 92 3HB GLN 92 5.119 10.366 6.763 799 HG2 GLN 92 2HG GLN 92 7.161 11.722 6.888 800 HG3 GLN 92 3HG GLN 92 6.056 12.350 5.673 801 HE21 GLN 92 1HE2 GLN 92 5.802 12.912 9.179 802 HE22 GLN 92 2HE2 GLN 92 6.109 14.607 9.104 803 H ILE 93 H ILE 93 3.103 10.394 5.168 804 HA ILE 93 HA ILE 93 3.620 12.198 3.076 805 HB ILE 93 HB ILE 93 2.549 10.597 1.528 806 HG12 ILE 93 2HG1 ILE 93 1.776 9.092 4.062 807 HG13 ILE 93 3HG1 ILE 93 0.674 9.812 2.896 808 HG21 ILE 93 1HG2 ILE 93 4.103 8.722 1.900 809 HG22 ILE 93 2HG2 ILE 93 4.387 9.271 3.551 810 HG23 ILE 93 3HG2 ILE 93 4.898 10.272 2.192 811 HD11 ILE 93 3HD1 ILE 93 0.750 7.417 2.649 812 HD12 ILE 93 1HD1 ILE 93 2.496 7.461 2.415 813 HD13 ILE 93 2HD1 ILE 93 1.427 8.186 1.213 814 H LEU 94 H LEU 94 0.607 11.591 4.796 815 HA LEU 94 HA LEU 94 -1.232 12.937 3.221 816 HB2 LEU 94 2HB LEU 94 -0.972 12.847 6.251 817 HB3 LEU 94 3HB LEU 94 -2.332 13.632 5.468 818 HG LEU 94 HG LEU 94 -1.647 10.689 5.109 819 HD11 LEU 94 1HD1 LEU 94 -3.536 10.193 6.607 820 HD12 LEU 94 2HD1 LEU 94 -3.771 11.917 6.902 821 HD13 LEU 94 3HD1 LEU 94 -2.292 11.123 7.443 822 HD21 LEU 94 3HD2 LEU 94 -4.103 12.289 4.289 823 HD22 LEU 94 1HD2 LEU 94 -3.909 10.541 4.112 824 HD23 LEU 94 2HD2 LEU 94 -2.870 11.635 3.207 825 H GLU 95 H GLU 95 1.209 14.324 5.369 826 HA GLU 95 HA GLU 95 0.477 17.090 4.771 827 HB2 GLU 95 2HB GLU 95 2.904 16.021 6.290 828 HB3 GLU 95 3HB GLU 95 2.374 17.699 6.223 829 HG2 GLU 95 2HG GLU 95 0.935 15.384 7.545 830 HG3 GLU 95 3HG GLU 95 1.725 16.745 8.339 831 H ASP 96 H ASP 96 3.288 15.032 4.227 832 HA ASP 96 HA ASP 96 5.011 16.399 2.691 833 HB2 ASP 96 2HB ASP 96 5.248 14.003 3.363 834 HB3 ASP 96 3HB ASP 96 4.154 13.549 2.061 835 H LEU 97 H LEU 97 2.087 14.862 1.319 836 HA LEU 97 HA LEU 97 2.570 15.567 -1.416 837 HB2 LEU 97 2HB LEU 97 0.209 14.483 0.115 838 HB3 LEU 97 3HB LEU 97 -0.067 15.120 -1.495 839 HG LEU 97 HG LEU 97 1.539 13.466 -2.431 840 HD11 LEU 97 1HD1 LEU 97 2.359 11.589 -1.127 841 HD12 LEU 97 2HD1 LEU 97 1.641 12.257 0.346 842 HD13 LEU 97 3HD1 LEU 97 2.971 13.102 -0.458 843 HD21 LEU 97 3HD2 LEU 97 0.080 11.515 -2.191 844 HD22 LEU 97 1HD2 LEU 97 -0.859 12.992 -2.382 845 HD23 LEU 97 2HD2 LEU 97 -0.700 12.250 -0.788 846 H LYS 98 H LYS 98 1.233 17.257 1.230 847 HA LYS 98 HA LYS 98 -0.072 19.368 -0.330 848 HB2 LYS 98 2HB LYS 98 0.469 19.380 2.672 849 HB3 LYS 98 3HB LYS 98 -0.693 20.373 1.798 850 HG2 LYS 98 2HG LYS 98 -0.834 17.380 2.236 851 HG3 LYS 98 3HG LYS 98 -1.832 18.605 3.025 852 HD2 LYS 98 2HD LYS 98 -2.894 19.167 0.896 853 HD3 LYS 98 3HD LYS 98 -1.828 18.059 0.027 854 HE2 LYS 98 2HE LYS 98 -3.997 17.032 0.326 855 HE3 LYS 98 3HE LYS 98 -2.813 16.168 1.307 856 HZ1 LYS 98 3HZ LYS 98 -4.855 16.535 2.507 857 HZ2 LYS 98 1HZ LYS 98 -4.731 18.208 2.285 858 HZ3 LYS 98 2HZ LYS 98 -3.591 17.393 3.234 859 H LYS 99 H LYS 99 2.852 18.885 1.598 860 HA LYS 99 HA LYS 99 3.872 21.525 1.476 861 HB2 LYS 99 2HB LYS 99 5.541 18.986 1.784 862 HB3 LYS 99 3HB LYS 99 5.987 20.609 2.288 863 HG2 LYS 99 2HG LYS 99 3.840 18.860 3.501 864 HG3 LYS 99 3HG LYS 99 5.398 19.254 4.218 865 HD2 LYS 99 2HD LYS 99 4.731 21.598 4.453 866 HD3 LYS 99 3HD LYS 99 3.203 21.280 3.624 867 HE2 LYS 99 2HE LYS 99 2.540 19.751 5.459 868 HE3 LYS 99 3HE LYS 99 4.066 20.089 6.280 869 HZ1 LYS 99 3HZ LYS 99 1.940 22.076 5.675 870 HZ2 LYS 99 1HZ LYS 99 3.413 22.420 6.434 871 HZ3 LYS 99 2HZ LYS 99 2.286 21.413 7.191 872 H LYS 100 H LYS 100 5.233 18.650 -0.092 873 HA LYS 100 HA LYS 100 5.180 19.254 -2.764 874 HB2 LYS 100 2HB LYS 100 6.575 21.274 -2.250 875 HB3 LYS 100 3HB LYS 100 7.801 20.247 -1.519 876 HG2 LYS 100 2HG LYS 100 8.221 19.185 -3.715 877 HG3 LYS 100 3HG LYS 100 6.992 20.216 -4.449 878 HD2 LYS 100 2HD LYS 100 9.518 21.232 -3.089 879 HD3 LYS 100 3HD LYS 100 9.335 21.022 -4.830 880 HE2 LYS 100 2HE LYS 100 7.707 22.901 -3.086 881 HE3 LYS 100 3HE LYS 100 9.014 23.372 -4.172 882 HZ1 LYS 100 3HZ LYS 100 6.441 22.128 -4.984 883 HZ2 LYS 100 1HZ LYS 100 7.698 22.559 -6.034 884 HZ3 LYS 100 2HZ LYS 100 6.861 23.754 -5.177 885 H GLY 101 H GLY 101 6.035 17.494 -3.899 886 HA2 GLY 101 2HA GLY 101 8.277 15.958 -3.107 887 HA3 GLY 101 3HA GLY 101 6.804 15.134 -2.596 888 H SER 102 H SER 102 7.719 17.025 -5.473 889 HA SER 102 HA SER 102 6.476 14.958 -7.189 890 HB2 SER 102 2HB SER 102 6.990 17.896 -7.824 891 HB3 SER 102 3HB SER 102 6.078 16.752 -8.811 892 HG SER 102 HG SER 102 4.926 16.617 -6.497 893 H LEU 103 H LEU 103 9.116 17.425 -7.536 894 HA LEU 103 HA LEU 103 10.354 15.719 -9.606 895 HB2 LEU 103 2HB LEU 103 10.767 18.638 -8.879 896 HB3 LEU 103 3HB LEU 103 11.673 17.808 -10.134 897 HG LEU 103 HG LEU 103 8.667 18.285 -10.157 898 HD11 LEU 103 1HD1 LEU 103 9.927 20.362 -10.549 899 HD12 LEU 103 2HD1 LEU 103 9.094 19.840 -12.010 900 HD13 LEU 103 3HD1 LEU 103 10.832 19.583 -11.851 901 HD21 LEU 103 3HD2 LEU 103 9.231 16.168 -11.253 902 HD22 LEU 103 1HD2 LEU 103 10.434 16.981 -12.257 903 HD23 LEU 103 2HD2 LEU 103 8.719 17.358 -12.443 904 H GLU 104 H GLU 104 10.687 15.771 -6.425 905 HA GLU 104 HA GLU 104 13.589 16.076 -6.187 906 HB2 GLU 104 2HB GLU 104 11.479 15.445 -4.077 907 HB3 GLU 104 3HB GLU 104 13.182 15.738 -3.748 908 HG2 GLU 104 2HG GLU 104 11.957 17.722 -3.195 909 HG3 GLU 104 3HG GLU 104 12.912 18.064 -4.632 910 H HIS 105 H HIS 105 11.667 13.636 -7.238 911 HA HIS 105 HA HIS 105 12.531 11.339 -5.806 912 HB2 HIS 105 2HB HIS 105 11.406 10.048 -7.578 913 HB3 HIS 105 3HB HIS 105 10.406 11.400 -7.060 914 HD1 HIS 105 HD1 HIS 105 11.608 9.786 -10.011 915 HD2 HIS 105 HD2 HIS 105 10.629 13.686 -8.989 916 HE1 HIS 105 HE1 HIS 105 11.298 10.997 -12.185 917 HE2 HIS 105 HE2 HIS 105 10.849 13.376 -11.548 918 H HIS 106 H HIS 106 14.790 11.605 -5.714 919 HA HIS 106 HA HIS 106 16.287 10.671 -8.072 920 HB2 HIS 106 2HB HIS 106 16.904 13.236 -6.542 921 HB3 HIS 106 3HB HIS 106 18.081 12.426 -7.570 922 HD1 HIS 106 HD1 HIS 106 17.792 12.667 -10.113 923 HD2 HIS 106 HD2 HIS 106 14.792 14.545 -7.938 924 HE1 HIS 106 HE1 HIS 106 16.547 14.078 -11.770 925 HE2 HIS 106 HE2 HIS 106 14.752 15.229 -10.430 926 H HIS 107 H HIS 107 15.716 8.914 -6.385 927 HA HIS 107 HA HIS 107 17.439 8.534 -4.156 928 HB2 HIS 107 2HB HIS 107 15.328 7.236 -4.577 929 HB3 HIS 107 3HB HIS 107 16.105 6.431 -5.930 930 HD1 HIS 107 HD1 HIS 107 15.559 6.142 -2.345 931 HD2 HIS 107 HD2 HIS 107 18.326 4.689 -5.077 932 HE1 HIS 107 HE1 HIS 107 16.650 4.189 -1.217 933 HE2 HIS 107 HE2 HIS 107 18.420 3.418 -2.824 934 H HIS 108 H HIS 108 19.551 8.001 -4.114 935 HA HIS 108 HA HIS 108 21.046 8.061 -6.571 936 HB2 HIS 108 2HB HIS 108 21.990 7.830 -3.686 937 HB3 HIS 108 3HB HIS 108 23.061 8.009 -5.066 938 HD1 HIS 108 HD1 HIS 108 23.624 10.093 -3.264 939 HD2 HIS 108 HD2 HIS 108 20.334 10.452 -5.767 940 HE1 HIS 108 HE1 HIS 108 23.129 12.548 -3.374 941 HE2 HIS 108 HE2 HIS 108 21.269 12.748 -5.056 942 H HIS 109 H HIS 109 20.229 6.075 -7.502 943 HA HIS 109 HA HIS 109 21.548 3.615 -6.509 944 HB2 HIS 109 2HB HIS 109 19.113 3.445 -7.066 945 HB3 HIS 109 3HB HIS 109 19.463 3.923 -8.725 946 HD1 HIS 109 HD1 HIS 109 19.534 0.999 -6.428 947 HD2 HIS 109 HD2 HIS 109 20.772 1.910 -10.288 948 HE1 HIS 109 HE1 HIS 109 20.004 -1.206 -7.526 949 HE2 HIS 109 HE2 HIS 109 20.993 -0.607 -9.757 950 H HIS 110 H HIS 110 23.631 4.150 -7.056 951 HA HIS 110 HA HIS 110 24.284 4.367 -9.937 952 HB2 HIS 110 2HB HIS 110 26.362 5.662 -9.186 953 HB3 HIS 110 3HB HIS 110 24.833 6.511 -9.035 954 HD1 HIS 110 HD1 HIS 110 27.531 4.920 -6.929 955 HD2 HIS 110 HD2 HIS 110 24.118 7.244 -6.449 956 HE1 HIS 110 HE1 HIS 110 27.552 5.664 -4.533 957 HE2 HIS 110 HE2 HIS 110 25.516 7.110 -4.273 Start of MODEL 7 1 H1 MET 1 1H MET 1 -4.451 14.967 -7.465 2 H2 MET 1 2H MET 1 -2.817 14.596 -7.227 3 H3 MET 1 3H MET 1 -3.823 13.500 -8.027 4 HA MET 1 HA MET 1 -4.121 14.974 -9.842 5 HB2 MET 1 2HB MET 1 -2.849 17.104 -9.973 6 HB3 MET 1 3HB MET 1 -3.991 17.109 -8.641 7 HG2 MET 1 2HG MET 1 -2.176 16.728 -7.038 8 HG3 MET 1 3HG MET 1 -1.011 16.624 -8.357 9 HE1 MET 1 3HE MET 1 -4.059 19.148 -8.090 10 HE2 MET 1 1HE MET 1 -3.282 20.515 -7.288 11 HE3 MET 1 2HE MET 1 -3.512 19.001 -6.418 12 H GLY 2 H GLY 2 -2.830 14.590 -11.590 13 HA2 GLY 2 2HA GLY 2 -1.101 13.848 -12.872 14 HA3 GLY 2 3HA GLY 2 -0.009 14.108 -11.519 15 H SER 3 H SER 3 0.586 12.003 -12.955 16 HA SER 3 HA SER 3 -0.686 9.593 -11.951 17 HB2 SER 3 2HB SER 3 1.801 9.935 -13.680 18 HB3 SER 3 3HB SER 3 1.018 8.396 -13.309 19 HG SER 3 HG SER 3 -0.174 8.790 -14.982 20 H LYS 4 H LYS 4 -0.297 9.031 -9.906 21 HA LYS 4 HA LYS 4 2.377 8.303 -9.130 22 HB2 LYS 4 2HB LYS 4 2.394 10.620 -8.299 23 HB3 LYS 4 3HB LYS 4 0.878 10.368 -7.439 24 HG2 LYS 4 2HG LYS 4 1.936 8.849 -5.871 25 HG3 LYS 4 3HG LYS 4 3.421 8.815 -6.825 26 HD2 LYS 4 2HD LYS 4 3.712 10.232 -4.847 27 HD3 LYS 4 3HD LYS 4 3.808 11.204 -6.315 28 HE2 LYS 4 2HE LYS 4 1.497 11.981 -5.958 29 HE3 LYS 4 3HE LYS 4 1.382 10.984 -4.505 30 HZ1 LYS 4 3HZ LYS 4 3.360 13.158 -4.882 31 HZ2 LYS 4 1HZ LYS 4 3.084 12.273 -3.469 32 HZ3 LYS 4 2HZ LYS 4 1.899 13.332 -4.052 33 H ILE 5 H ILE 5 2.353 6.591 -7.720 34 HA ILE 5 HA ILE 5 -0.221 5.813 -6.510 35 HB ILE 5 HB ILE 5 0.226 3.454 -6.875 36 HG12 ILE 5 2HG1 ILE 5 2.783 4.240 -8.364 37 HG13 ILE 5 3HG1 ILE 5 2.735 3.522 -6.760 38 HG21 ILE 5 1HG2 ILE 5 -0.004 3.313 -9.336 39 HG22 ILE 5 2HG2 ILE 5 0.544 4.982 -9.490 40 HG23 ILE 5 3HG2 ILE 5 -0.978 4.624 -8.672 41 HD11 ILE 5 3HD1 ILE 5 3.304 1.870 -8.417 42 HD12 ILE 5 1HD1 ILE 5 1.827 2.206 -9.320 43 HD13 ILE 5 2HD1 ILE 5 1.735 1.486 -7.710 44 H ILE 6 H ILE 6 -0.130 4.888 -4.504 45 HA ILE 6 HA ILE 6 2.454 4.973 -3.033 46 HB ILE 6 HB ILE 6 -0.364 5.476 -1.982 47 HG12 ILE 6 2HG1 ILE 6 0.532 7.406 -3.215 48 HG13 ILE 6 3HG1 ILE 6 0.408 7.770 -1.505 49 HG21 ILE 6 1HG2 ILE 6 0.688 5.949 0.205 50 HG22 ILE 6 2HG2 ILE 6 2.248 5.432 -0.437 51 HG23 ILE 6 3HG2 ILE 6 0.924 4.274 -0.297 52 HD11 ILE 6 3HD1 ILE 6 2.832 7.466 -1.278 53 HD12 ILE 6 1HD1 ILE 6 2.414 8.700 -2.463 54 HD13 ILE 6 2HD1 ILE 6 2.936 7.108 -3.005 55 H VAL 7 H VAL 7 3.108 3.026 -2.416 56 HA VAL 7 HA VAL 7 1.167 0.787 -2.292 57 HB VAL 7 HB VAL 7 4.198 0.550 -2.626 58 HG11 VAL 7 1HG1 VAL 7 1.966 -1.514 -2.835 59 HG12 VAL 7 2HG1 VAL 7 3.160 -1.390 -1.540 60 HG13 VAL 7 3HG1 VAL 7 3.672 -1.813 -3.172 61 HG21 VAL 7 3HG2 VAL 7 2.040 0.291 -4.766 62 HG22 VAL 7 1HG2 VAL 7 3.760 -0.039 -4.988 63 HG23 VAL 7 2HG2 VAL 7 3.215 1.600 -4.638 64 H ILE 8 H ILE 8 0.636 0.211 -0.287 65 HA ILE 8 HA ILE 8 2.361 1.047 1.974 66 HB ILE 8 HB ILE 8 -0.641 0.466 1.944 67 HG12 ILE 8 2HG1 ILE 8 0.942 3.070 2.094 68 HG13 ILE 8 3HG1 ILE 8 -0.188 2.585 0.839 69 HG21 ILE 8 1HG2 ILE 8 -0.642 1.250 4.299 70 HG22 ILE 8 2HG2 ILE 8 1.114 1.391 4.251 71 HG23 ILE 8 3HG2 ILE 8 0.356 -0.194 4.099 72 HD11 ILE 8 3HD1 ILE 8 -2.009 2.731 2.494 73 HD12 ILE 8 1HD1 ILE 8 -1.173 4.253 2.205 74 HD13 ILE 8 2HD1 ILE 8 -0.845 3.338 3.675 75 H ILE 9 H ILE 9 3.159 -0.436 3.244 76 HA ILE 9 HA ILE 9 2.756 -3.294 2.762 77 HB ILE 9 HB ILE 9 4.809 -1.809 4.495 78 HG12 ILE 9 2HG1 ILE 9 6.486 -2.794 2.794 79 HG13 ILE 9 3HG1 ILE 9 5.108 -3.186 1.784 80 HG21 ILE 9 1HG2 ILE 9 5.924 -3.997 4.809 81 HG22 ILE 9 2HG2 ILE 9 4.602 -4.789 3.950 82 HG23 ILE 9 3HG2 ILE 9 4.296 -3.985 5.491 83 HD11 ILE 9 3HD1 ILE 9 6.234 -1.173 1.035 84 HD12 ILE 9 1HD1 ILE 9 5.972 -0.412 2.604 85 HD13 ILE 9 2HD1 ILE 9 4.596 -0.799 1.569 86 H SER 10 H SER 10 0.667 -3.478 3.660 87 HA SER 10 HA SER 10 -0.022 -2.263 6.185 88 HB2 SER 10 2HB SER 10 -1.682 -2.442 4.356 89 HB3 SER 10 3HB SER 10 -1.614 -4.201 4.461 90 HG SER 10 HG SER 10 -2.420 -4.025 6.590 91 H SER 11 H SER 11 0.990 -3.103 7.886 92 HA SER 11 HA SER 11 1.451 -5.905 8.329 93 HB2 SER 11 2HB SER 11 2.383 -4.977 10.508 94 HB3 SER 11 3HB SER 11 3.089 -4.272 9.053 95 HG SER 11 HG SER 11 2.224 -2.881 10.940 96 H ASP 12 H ASP 12 0.938 -5.746 11.222 97 HA ASP 12 HA ASP 12 -1.518 -7.070 11.356 98 HB2 ASP 12 2HB ASP 12 -0.073 -5.726 13.682 99 HB3 ASP 12 3HB ASP 12 -1.207 -7.069 13.782 100 H ASP 13 H ASP 13 -0.814 -3.669 11.629 101 HA ASP 13 HA ASP 13 -3.180 -3.023 13.182 102 HB2 ASP 13 2HB ASP 13 -1.095 -1.165 11.959 103 HB3 ASP 13 3HB ASP 13 -2.370 -0.679 13.071 104 H THR 14 H THR 14 -4.833 -1.701 12.569 105 HA THR 14 HA THR 14 -5.632 -1.743 9.760 106 HB THR 14 HB THR 14 -7.175 -0.960 12.280 107 HG1 THR 14 HG1 THR 14 -6.688 -3.359 10.929 108 HG21 THR 14 3HG2 THR 14 -9.218 -1.216 10.895 109 HG22 THR 14 1HG2 THR 14 -8.214 -1.477 9.463 110 HG23 THR 14 2HG2 THR 14 -8.198 0.086 10.283 111 H THR 15 H THR 15 -4.259 0.477 12.020 112 HA THR 15 HA THR 15 -5.080 2.951 11.174 113 HB THR 15 HB THR 15 -2.199 2.249 11.895 114 HG1 THR 15 HG1 THR 15 -4.530 2.125 13.365 115 HG21 THR 15 3HG2 THR 15 -2.543 4.598 11.128 116 HG22 THR 15 1HG2 THR 15 -2.138 4.526 12.845 117 HG23 THR 15 2HG2 THR 15 -3.807 4.802 12.344 118 H LEU 16 H LEU 16 -2.885 0.737 9.501 119 HA LEU 16 HA LEU 16 -1.890 2.673 7.593 120 HB2 LEU 16 2HB LEU 16 -1.768 -0.377 7.473 121 HB3 LEU 16 3HB LEU 16 -0.940 0.718 6.381 122 HG LEU 16 HG LEU 16 0.258 1.650 8.514 123 HD11 LEU 16 1HD1 LEU 16 -1.174 0.589 10.187 124 HD12 LEU 16 2HD1 LEU 16 0.504 0.100 10.379 125 HD13 LEU 16 3HD1 LEU 16 -0.655 -1.009 9.643 126 HD21 LEU 16 3HD2 LEU 16 0.926 -1.136 7.525 127 HD22 LEU 16 1HD2 LEU 16 2.024 -0.041 8.372 128 HD23 LEU 16 2HD2 LEU 16 1.415 0.384 6.775 129 H GLU 17 H GLU 17 -4.579 0.476 7.790 130 HA GLU 17 HA GLU 17 -5.380 0.434 5.046 131 HB2 GLU 17 2HB GLU 17 -6.985 -0.147 7.575 132 HB3 GLU 17 3HB GLU 17 -7.498 -0.546 5.942 133 HG2 GLU 17 2HG GLU 17 -5.687 -2.162 5.721 134 HG3 GLU 17 3HG GLU 17 -5.040 -1.697 7.291 135 H GLU 18 H GLU 18 -6.456 2.288 7.926 136 HA GLU 18 HA GLU 18 -8.579 3.662 6.593 137 HB2 GLU 18 2HB GLU 18 -8.734 5.073 8.620 138 HB3 GLU 18 3HB GLU 18 -8.645 3.364 9.029 139 HG2 GLU 18 2HG GLU 18 -6.291 3.592 9.643 140 HG3 GLU 18 3HG GLU 18 -6.296 5.276 9.134 141 H LEU 19 H LEU 19 -5.197 4.522 7.316 142 HA LEU 19 HA LEU 19 -5.331 7.212 6.364 143 HB2 LEU 19 2HB LEU 19 -2.922 5.361 6.609 144 HB3 LEU 19 3HB LEU 19 -2.841 7.100 6.364 145 HG LEU 19 HG LEU 19 -4.028 5.756 8.826 146 HD11 LEU 19 1HD1 LEU 19 -1.629 5.372 8.733 147 HD12 LEU 19 2HD1 LEU 19 -2.018 6.504 10.024 148 HD13 LEU 19 3HD1 LEU 19 -1.326 7.098 8.512 149 HD21 LEU 19 3HD2 LEU 19 -4.062 7.984 9.836 150 HD22 LEU 19 1HD2 LEU 19 -5.070 7.923 8.392 151 HD23 LEU 19 2HD2 LEU 19 -3.486 8.698 8.329 152 H ALA 20 H ALA 20 -4.652 4.107 4.839 153 HA ALA 20 HA ALA 20 -3.535 4.770 2.409 154 HB1 ALA 20 3HB ALA 20 -5.572 2.581 2.926 155 HB2 ALA 20 1HB ALA 20 -3.836 2.460 3.218 156 HB3 ALA 20 2HB ALA 20 -4.444 2.644 1.571 157 H ARG 21 H ARG 21 -6.975 4.658 3.243 158 HA ARG 21 HA ARG 21 -7.964 5.175 0.625 159 HB2 ARG 21 2HB ARG 21 -9.218 4.018 2.494 160 HB3 ARG 21 3HB ARG 21 -9.401 5.580 3.285 161 HG2 ARG 21 2HG ARG 21 -10.742 6.420 1.443 162 HG3 ARG 21 3HG ARG 21 -10.439 4.959 0.503 163 HD2 ARG 21 2HD ARG 21 -11.628 3.650 2.309 164 HD3 ARG 21 3HD ARG 21 -12.065 5.196 3.052 165 HE ARG 21 HE ARG 21 -13.011 5.619 0.623 166 HH11 ARG 21 1HH1 ARG 21 -13.258 2.670 2.537 167 HH12 ARG 21 2HH1 ARG 21 -14.761 2.191 1.811 168 HH21 ARG 21 1HH2 ARG 21 -14.971 4.984 -0.314 169 HH22 ARG 21 2HH2 ARG 21 -15.736 3.509 0.187 170 H LYS 22 H LYS 22 -7.050 7.188 3.342 171 HA LYS 22 HA LYS 22 -8.277 9.572 2.282 172 HB2 LYS 22 2HB LYS 22 -7.772 8.848 4.831 173 HB3 LYS 22 3HB LYS 22 -6.271 9.721 4.536 174 HG2 LYS 22 2HG LYS 22 -7.963 11.178 5.560 175 HG3 LYS 22 3HG LYS 22 -7.551 11.739 3.937 176 HD2 LYS 22 2HD LYS 22 -9.615 10.593 3.063 177 HD3 LYS 22 3HD LYS 22 -10.040 10.162 4.723 178 HE2 LYS 22 2HE LYS 22 -11.282 12.143 3.963 179 HE3 LYS 22 3HE LYS 22 -10.201 12.562 5.296 180 HZ1 LYS 22 3HZ LYS 22 -8.623 13.439 3.683 181 HZ2 LYS 22 1HZ LYS 22 -10.124 14.200 3.532 182 HZ3 LYS 22 2HZ LYS 22 -9.659 13.031 2.407 183 H ILE 23 H ILE 23 -5.104 8.067 2.128 184 HA ILE 23 HA ILE 23 -3.640 10.232 1.074 185 HB ILE 23 HB ILE 23 -3.301 7.244 0.551 186 HG12 ILE 23 2HG1 ILE 23 -1.677 8.998 2.454 187 HG13 ILE 23 3HG1 ILE 23 -3.095 8.101 2.973 188 HG21 ILE 23 1HG2 ILE 23 -1.340 9.505 -0.033 189 HG22 ILE 23 2HG2 ILE 23 -2.199 8.540 -1.236 190 HG23 ILE 23 3HG2 ILE 23 -0.995 7.782 -0.193 191 HD11 ILE 23 3HD1 ILE 23 -1.035 6.947 3.523 192 HD12 ILE 23 1HD1 ILE 23 -0.598 6.882 1.816 193 HD13 ILE 23 2HD1 ILE 23 -2.016 6.010 2.398 194 H LYS 24 H LYS 24 -5.305 7.533 -0.677 195 HA LYS 24 HA LYS 24 -4.878 8.621 -3.255 196 HB2 LYS 24 2HB LYS 24 -6.501 7.025 -4.114 197 HB3 LYS 24 3HB LYS 24 -5.378 6.266 -3.004 198 HG2 LYS 24 2HG LYS 24 -7.012 5.834 -1.396 199 HG3 LYS 24 3HG LYS 24 -8.059 7.148 -1.948 200 HD2 LYS 24 2HD LYS 24 -8.985 4.902 -2.516 201 HD3 LYS 24 3HD LYS 24 -8.674 5.887 -3.944 202 HE2 LYS 24 2HE LYS 24 -6.413 4.615 -4.087 203 HE3 LYS 24 3HE LYS 24 -7.141 3.478 -2.950 204 HZ1 LYS 24 3HZ LYS 24 -8.162 4.190 -5.644 205 HZ2 LYS 24 1HZ LYS 24 -8.975 3.203 -4.544 206 HZ3 LYS 24 2HZ LYS 24 -7.488 2.720 -5.173 207 H ASP 25 H ASP 25 -7.202 9.390 -0.871 208 HA ASP 25 HA ASP 25 -9.271 10.604 -2.284 209 HB2 ASP 25 2HB ASP 25 -9.270 10.146 0.140 210 HB3 ASP 25 3HB ASP 25 -8.048 11.379 0.393 211 H GLU 26 H GLU 26 -5.983 11.733 -1.756 212 HA GLU 26 HA GLU 26 -6.340 14.483 -2.477 213 HB2 GLU 26 2HB GLU 26 -3.872 12.707 -2.421 214 HB3 GLU 26 3HB GLU 26 -3.808 14.422 -2.770 215 HG2 GLU 26 2HG GLU 26 -4.770 13.210 -0.164 216 HG3 GLU 26 3HG GLU 26 -3.171 13.892 -0.444 217 H GLY 27 H GLY 27 -6.517 11.705 -4.402 218 HA2 GLY 27 2HA GLY 27 -7.358 11.879 -6.629 219 HA3 GLY 27 3HA GLY 27 -6.426 13.346 -6.868 220 H LEU 28 H LEU 28 -5.150 10.404 -5.439 221 HA LEU 28 HA LEU 28 -3.780 9.633 -7.951 222 HB2 LEU 28 2HB LEU 28 -1.792 8.942 -6.666 223 HB3 LEU 28 3HB LEU 28 -2.062 10.666 -6.539 224 HG LEU 28 HG LEU 28 -2.908 8.741 -4.330 225 HD11 LEU 28 1HD1 LEU 28 -0.479 8.485 -4.698 226 HD12 LEU 28 2HD1 LEU 28 -0.830 9.270 -3.161 227 HD13 LEU 28 3HD1 LEU 28 -0.271 10.229 -4.532 228 HD21 LEU 28 3HD2 LEU 28 -2.796 10.752 -2.917 229 HD22 LEU 28 1HD2 LEU 28 -3.944 10.960 -4.237 230 HD23 LEU 28 2HD2 LEU 28 -2.357 11.725 -4.321 231 H GLU 29 H GLU 29 -2.916 7.221 -7.652 232 HA GLU 29 HA GLU 29 -5.068 5.619 -6.440 233 HB2 GLU 29 2HB GLU 29 -4.420 5.249 -8.821 234 HB3 GLU 29 3HB GLU 29 -2.783 4.841 -8.321 235 HG2 GLU 29 2HG GLU 29 -4.170 2.859 -8.901 236 HG3 GLU 29 3HG GLU 29 -3.549 2.813 -7.254 237 H VAL 30 H VAL 30 -4.646 3.926 -4.963 238 HA VAL 30 HA VAL 30 -1.943 3.763 -3.767 239 HB VAL 30 HB VAL 30 -4.613 3.773 -2.259 240 HG11 VAL 30 1HG1 VAL 30 -3.337 3.272 -0.191 241 HG12 VAL 30 2HG1 VAL 30 -1.871 3.042 -1.147 242 HG13 VAL 30 3HG1 VAL 30 -3.233 1.940 -1.345 243 HG21 VAL 30 3HG2 VAL 30 -3.611 5.639 -1.007 244 HG22 VAL 30 1HG2 VAL 30 -3.614 5.990 -2.734 245 HG23 VAL 30 2HG2 VAL 30 -2.125 5.489 -1.941 246 H TYR 31 H TYR 31 -1.127 1.850 -3.845 247 HA TYR 31 HA TYR 31 -2.700 -0.614 -4.261 248 HB2 TYR 31 2HB TYR 31 0.284 -0.013 -4.590 249 HB3 TYR 31 3HB TYR 31 -0.406 -1.625 -4.738 250 HD1 TYR 31 HD2 TYR 31 -1.588 1.672 -6.184 251 HD2 TYR 31 HD1 TYR 31 -0.084 -2.240 -6.986 252 HE1 TYR 31 HE2 TYR 31 -1.857 2.053 -8.597 253 HE2 TYR 31 HE1 TYR 31 -0.350 -1.857 -9.392 254 HH TYR 31 HH TYR 31 -1.011 1.246 -10.717 255 H ILE 32 H ILE 32 -2.297 -2.374 -2.782 256 HA ILE 32 HA ILE 32 -0.814 -1.678 -0.293 257 HB ILE 32 HB ILE 32 -3.363 -3.375 -0.437 258 HG12 ILE 32 2HG1 ILE 32 -3.874 -0.942 -0.827 259 HG13 ILE 32 3HG1 ILE 32 -4.597 -1.566 0.647 260 HG21 ILE 32 1HG2 ILE 32 -1.777 -2.420 1.980 261 HG22 ILE 32 2HG2 ILE 32 -1.884 -4.077 1.381 262 HG23 ILE 32 3HG2 ILE 32 -3.313 -3.286 2.040 263 HD11 ILE 32 3HD1 ILE 32 -2.848 -0.475 1.966 264 HD12 ILE 32 1HD1 ILE 32 -3.723 0.672 0.953 265 HD13 ILE 32 2HD1 ILE 32 -2.112 0.135 0.481 266 H LEU 33 H LEU 33 0.865 -3.077 0.017 267 HA LEU 33 HA LEU 33 0.662 -5.840 -0.970 268 HB2 LEU 33 2HB LEU 33 3.004 -4.255 0.142 269 HB3 LEU 33 3HB LEU 33 3.077 -5.986 -0.169 270 HG LEU 33 HG LEU 33 2.674 -3.783 -2.218 271 HD11 LEU 33 1HD1 LEU 33 4.753 -4.617 -3.195 272 HD12 LEU 33 2HD1 LEU 33 4.891 -5.820 -1.911 273 HD13 LEU 33 3HD1 LEU 33 4.986 -4.100 -1.528 274 HD21 LEU 33 3HD2 LEU 33 2.499 -6.777 -2.670 275 HD22 LEU 33 1HD2 LEU 33 2.551 -5.548 -3.933 276 HD23 LEU 33 2HD2 LEU 33 1.188 -5.605 -2.826 277 H LEU 34 H LEU 34 -0.358 -7.107 0.286 278 HA LEU 34 HA LEU 34 -0.608 -6.615 3.132 279 HB2 LEU 34 2HB LEU 34 -2.403 -7.426 1.213 280 HB3 LEU 34 3HB LEU 34 -1.941 -8.987 1.858 281 HG LEU 34 HG LEU 34 -3.984 -8.115 2.933 282 HD11 LEU 34 1HD1 LEU 34 -3.368 -8.368 5.302 283 HD12 LEU 34 2HD1 LEU 34 -1.658 -8.197 4.893 284 HD13 LEU 34 3HD1 LEU 34 -2.577 -9.582 4.298 285 HD21 LEU 34 3HD2 LEU 34 -3.922 -6.086 4.340 286 HD22 LEU 34 1HD2 LEU 34 -3.545 -5.718 2.659 287 HD23 LEU 34 2HD2 LEU 34 -2.254 -5.790 3.859 288 H LYS 35 H LYS 35 0.595 -7.628 4.595 289 HA LYS 35 HA LYS 35 1.635 -10.346 4.065 290 HB2 LYS 35 2HB LYS 35 3.563 -9.794 5.578 291 HB3 LYS 35 3HB LYS 35 3.557 -8.878 4.076 292 HG2 LYS 35 2HG LYS 35 2.854 -6.867 5.197 293 HG3 LYS 35 3HG LYS 35 2.516 -7.743 6.693 294 HD2 LYS 35 2HD LYS 35 4.650 -6.465 6.809 295 HD3 LYS 35 3HD LYS 35 4.900 -8.199 7.012 296 HE2 LYS 35 2HE LYS 35 5.694 -8.402 4.730 297 HE3 LYS 35 3HE LYS 35 5.300 -6.713 4.398 298 HZ1 LYS 35 3HZ LYS 35 7.611 -6.850 4.806 299 HZ2 LYS 35 1HZ LYS 35 7.397 -7.743 6.229 300 HZ3 LYS 35 2HZ LYS 35 6.927 -6.124 6.161 301 H ASP 36 H ASP 36 0.636 -11.716 5.309 302 HA ASP 36 HA ASP 36 0.108 -11.129 8.146 303 HB2 ASP 36 2HB ASP 36 -2.037 -11.101 6.698 304 HB3 ASP 36 3HB ASP 36 -1.745 -12.809 6.400 305 H LYS 37 H LYS 37 0.417 -12.996 9.474 306 HA LYS 37 HA LYS 37 2.549 -14.679 8.586 307 HB2 LYS 37 2HB LYS 37 0.957 -14.810 11.171 308 HB3 LYS 37 3HB LYS 37 2.482 -15.642 10.865 309 HG2 LYS 37 2HG LYS 37 3.543 -13.366 10.461 310 HG3 LYS 37 3HG LYS 37 2.031 -12.644 11.009 311 HD2 LYS 37 2HD LYS 37 3.588 -12.648 12.852 312 HD3 LYS 37 3HD LYS 37 2.324 -13.824 13.207 313 HE2 LYS 37 2HE LYS 37 3.817 -15.657 12.552 314 HE3 LYS 37 3HE LYS 37 5.068 -14.500 12.090 315 HZ1 LYS 37 3HZ LYS 37 4.005 -14.883 14.845 316 HZ2 LYS 37 1HZ LYS 37 5.203 -13.777 14.385 317 HZ3 LYS 37 2HZ LYS 37 5.492 -15.434 14.261 318 H ASP 38 H ASP 38 -0.841 -15.016 8.504 319 HA ASP 38 HA ASP 38 -0.632 -17.804 7.508 320 HB2 ASP 38 2HB ASP 38 -2.045 -17.697 9.530 321 HB3 ASP 38 3HB ASP 38 -2.981 -16.369 8.862 322 H GLU 39 H GLU 39 -0.544 -17.603 5.303 323 HA GLU 39 HA GLU 39 -1.211 -15.325 3.842 324 HB2 GLU 39 2HB GLU 39 -0.581 -16.556 1.851 325 HB3 GLU 39 3HB GLU 39 0.490 -16.996 3.171 326 HG2 GLU 39 2HG GLU 39 0.127 -19.055 2.193 327 HG3 GLU 39 3HG GLU 39 -1.092 -19.063 3.455 328 H LYS 40 H LYS 40 -3.367 -17.700 4.937 329 HA LYS 40 HA LYS 40 -5.376 -17.426 2.879 330 HB2 LYS 40 2HB LYS 40 -5.907 -18.434 5.695 331 HB3 LYS 40 3HB LYS 40 -6.749 -18.855 4.210 332 HG2 LYS 40 2HG LYS 40 -4.766 -20.125 3.444 333 HG3 LYS 40 3HG LYS 40 -3.925 -19.688 4.936 334 HD2 LYS 40 2HD LYS 40 -5.883 -20.835 6.189 335 HD3 LYS 40 3HD LYS 40 -6.346 -21.497 4.616 336 HE2 LYS 40 2HE LYS 40 -4.994 -23.127 5.811 337 HE3 LYS 40 3HE LYS 40 -4.057 -22.521 4.437 338 HZ1 LYS 40 3HZ LYS 40 -2.950 -20.971 5.963 339 HZ2 LYS 40 1HZ LYS 40 -2.706 -22.579 6.410 340 HZ3 LYS 40 2HZ LYS 40 -3.803 -21.626 7.263 341 H ARG 41 H ARG 41 -4.954 -16.306 6.228 342 HA ARG 41 HA ARG 41 -7.237 -14.630 6.370 343 HB2 ARG 41 2HB ARG 41 -5.846 -15.561 8.331 344 HB3 ARG 41 3HB ARG 41 -4.662 -14.303 7.984 345 HG2 ARG 41 2HG ARG 41 -6.111 -13.587 9.805 346 HG3 ARG 41 3HG ARG 41 -6.409 -12.576 8.387 347 HD2 ARG 41 2HD ARG 41 -8.415 -13.923 7.852 348 HD3 ARG 41 3HD ARG 41 -8.123 -14.927 9.277 349 HE ARG 41 HE ARG 41 -8.277 -12.350 10.224 350 HH11 ARG 41 1HH1 ARG 41 -10.448 -14.444 8.395 351 HH12 ARG 41 2HH1 ARG 41 -11.882 -13.720 9.047 352 HH21 ARG 41 1HH2 ARG 41 -10.153 -11.429 11.083 353 HH22 ARG 41 2HH2 ARG 41 -11.713 -12.001 10.581 354 H LEU 42 H LEU 42 -3.910 -14.159 5.378 355 HA LEU 42 HA LEU 42 -3.711 -11.452 4.848 356 HB2 LEU 42 2HB LEU 42 -1.948 -13.280 4.667 357 HB3 LEU 42 3HB LEU 42 -2.655 -13.765 3.148 358 HG LEU 42 HG LEU 42 -1.396 -11.013 3.576 359 HD11 LEU 42 1HD1 LEU 42 0.615 -11.864 2.457 360 HD12 LEU 42 2HD1 LEU 42 -0.076 -13.488 2.397 361 HD13 LEU 42 3HD1 LEU 42 0.316 -12.749 3.953 362 HD21 LEU 42 3HD2 LEU 42 -2.888 -11.075 1.668 363 HD22 LEU 42 1HD2 LEU 42 -2.071 -12.504 1.036 364 HD23 LEU 42 2HD2 LEU 42 -1.216 -10.959 1.130 365 H GLU 43 H GLU 43 -4.944 -14.081 2.778 366 HA GLU 43 HA GLU 43 -5.507 -12.441 0.530 367 HB2 GLU 43 2HB GLU 43 -4.899 -14.878 0.482 368 HB3 GLU 43 3HB GLU 43 -6.505 -15.263 1.098 369 HG2 GLU 43 2HG GLU 43 -7.552 -14.423 -0.911 370 HG3 GLU 43 3HG GLU 43 -6.027 -13.750 -1.486 371 H GLU 44 H GLU 44 -7.442 -13.434 3.310 372 HA GLU 44 HA GLU 44 -9.994 -12.586 2.357 373 HB2 GLU 44 2HB GLU 44 -8.920 -12.680 5.218 374 HB3 GLU 44 3HB GLU 44 -10.598 -12.338 4.795 375 HG2 GLU 44 2HG GLU 44 -10.698 -14.593 3.675 376 HG3 GLU 44 3HG GLU 44 -9.095 -14.925 4.325 377 H LYS 45 H LYS 45 -7.415 -10.976 4.188 378 HA LYS 45 HA LYS 45 -8.650 -8.475 4.541 379 HB2 LYS 45 2HB LYS 45 -6.746 -9.202 5.903 380 HB3 LYS 45 3HB LYS 45 -5.700 -9.239 4.491 381 HG2 LYS 45 2HG LYS 45 -5.192 -7.268 5.789 382 HG3 LYS 45 3HG LYS 45 -5.939 -6.773 4.274 383 HD2 LYS 45 2HD LYS 45 -6.830 -5.396 6.024 384 HD3 LYS 45 3HD LYS 45 -8.112 -6.499 5.525 385 HE2 LYS 45 2HE LYS 45 -7.756 -7.885 7.489 386 HE3 LYS 45 3HE LYS 45 -6.317 -6.958 7.935 387 HZ1 LYS 45 3HZ LYS 45 -8.170 -6.242 9.246 388 HZ2 LYS 45 1HZ LYS 45 -9.105 -5.952 7.872 389 HZ3 LYS 45 2HZ LYS 45 -7.749 -5.001 8.181 390 H ILE 46 H ILE 46 -6.675 -9.771 1.908 391 HA ILE 46 HA ILE 46 -6.280 -7.522 0.315 392 HB ILE 46 HB ILE 46 -6.768 -10.430 -0.490 393 HG12 ILE 46 2HG1 ILE 46 -4.214 -8.761 -0.313 394 HG13 ILE 46 3HG1 ILE 46 -4.687 -10.049 0.784 395 HG21 ILE 46 1HG2 ILE 46 -5.924 -9.903 -2.758 396 HG22 ILE 46 2HG2 ILE 46 -5.868 -8.190 -2.341 397 HG23 ILE 46 3HG2 ILE 46 -7.419 -9.026 -2.410 398 HD11 ILE 46 3HD1 ILE 46 -4.506 -11.644 -1.115 399 HD12 ILE 46 1HD1 ILE 46 -2.996 -10.852 -0.660 400 HD13 ILE 46 2HD1 ILE 46 -3.871 -10.320 -2.099 401 H GLN 47 H GLN 47 -9.009 -9.825 0.328 402 HA GLN 47 HA GLN 47 -10.562 -8.548 -1.669 403 HB2 GLN 47 2HB GLN 47 -11.414 -10.466 0.558 404 HB3 GLN 47 3HB GLN 47 -12.417 -10.016 -0.812 405 HG2 GLN 47 2HG GLN 47 -9.774 -11.489 -0.991 406 HG3 GLN 47 3HG GLN 47 -11.370 -12.225 -1.114 407 HE21 GLN 47 1HE2 GLN 47 -8.989 -10.268 -2.743 408 HE22 GLN 47 2HE2 GLN 47 -9.728 -10.302 -4.304 409 H LYS 48 H LYS 48 -10.406 -8.130 1.860 410 HA LYS 48 HA LYS 48 -12.829 -6.700 2.248 411 HB2 LYS 48 2HB LYS 48 -10.265 -6.500 3.885 412 HB3 LYS 48 3HB LYS 48 -11.852 -5.977 4.414 413 HG2 LYS 48 2HG LYS 48 -10.985 -8.834 3.918 414 HG3 LYS 48 3HG LYS 48 -11.157 -8.065 5.487 415 HD2 LYS 48 2HD LYS 48 -13.157 -9.211 5.411 416 HD3 LYS 48 3HD LYS 48 -13.681 -7.713 4.649 417 HE2 LYS 48 2HE LYS 48 -13.446 -8.743 2.433 418 HE3 LYS 48 3HE LYS 48 -12.822 -10.223 3.166 419 HZ1 LYS 48 3HZ LYS 48 -15.537 -9.099 3.614 420 HZ2 LYS 48 1HZ LYS 48 -14.936 -10.541 4.270 421 HZ3 LYS 48 2HZ LYS 48 -15.168 -10.402 2.601 422 H LEU 49 H LEU 49 -9.489 -5.654 1.715 423 HA LEU 49 HA LEU 49 -10.014 -2.847 1.760 424 HB2 LEU 49 2HB LEU 49 -7.626 -4.466 0.817 425 HB3 LEU 49 3HB LEU 49 -7.643 -2.711 0.818 426 HG LEU 49 HG LEU 49 -7.959 -4.438 3.310 427 HD11 LEU 49 1HD1 LEU 49 -5.673 -3.749 3.892 428 HD12 LEU 49 2HD1 LEU 49 -5.517 -2.907 2.348 429 HD13 LEU 49 3HD1 LEU 49 -5.700 -4.661 2.383 430 HD21 LEU 49 3HD2 LEU 49 -9.095 -2.272 3.503 431 HD22 LEU 49 1HD2 LEU 49 -7.613 -1.433 3.029 432 HD23 LEU 49 2HD2 LEU 49 -7.679 -2.333 4.546 433 H LYS 50 H LYS 50 -9.707 -5.270 -0.883 434 HA LYS 50 HA LYS 50 -9.788 -3.375 -2.990 435 HB2 LYS 50 2HB LYS 50 -10.473 -6.348 -3.014 436 HB3 LYS 50 3HB LYS 50 -10.373 -5.342 -4.454 437 HG2 LYS 50 2HG LYS 50 -7.954 -4.796 -3.695 438 HG3 LYS 50 3HG LYS 50 -8.138 -6.148 -2.584 439 HD2 LYS 50 2HD LYS 50 -6.993 -6.895 -4.600 440 HD3 LYS 50 3HD LYS 50 -8.586 -7.653 -4.522 441 HE2 LYS 50 2HE LYS 50 -9.461 -6.233 -6.219 442 HE3 LYS 50 3HE LYS 50 -8.095 -5.118 -6.112 443 HZ1 LYS 50 3HZ LYS 50 -6.662 -6.778 -7.049 444 HZ2 LYS 50 1HZ LYS 50 -7.990 -6.561 -8.069 445 HZ3 LYS 50 2HZ LYS 50 -7.907 -7.922 -7.076 446 H SER 51 H SER 51 -12.383 -4.989 -1.162 447 HA SER 51 HA SER 51 -14.610 -4.118 -2.579 448 HB2 SER 51 2HB SER 51 -14.322 -4.230 0.455 449 HB3 SER 51 3HB SER 51 -15.843 -4.241 -0.442 450 HG SER 51 HG SER 51 -14.141 -6.287 0.103 451 H GLN 52 H GLN 52 -12.525 -2.280 -0.403 452 HA GLN 52 HA GLN 52 -14.095 0.168 -0.466 453 HB2 GLN 52 2HB GLN 52 -11.226 -0.301 0.461 454 HB3 GLN 52 3HB GLN 52 -12.123 1.199 0.671 455 HG2 GLN 52 2HG GLN 52 -13.785 -0.032 2.077 456 HG3 GLN 52 3HG GLN 52 -12.779 -1.474 1.941 457 HE21 GLN 52 1HE2 GLN 52 -10.787 -1.535 3.047 458 HE22 GLN 52 2HE2 GLN 52 -10.390 -0.403 4.291 459 H GLY 53 H GLY 53 -11.864 -1.315 -2.586 460 HA2 GLY 53 2HA GLY 53 -11.723 -0.640 -4.856 461 HA3 GLY 53 3HA GLY 53 -11.963 1.032 -4.373 462 H PHE 54 H PHE 54 -9.684 -1.564 -3.470 463 HA PHE 54 HA PHE 54 -7.389 0.175 -4.229 464 HB2 PHE 54 2HB PHE 54 -7.577 -1.837 -1.926 465 HB3 PHE 54 3HB PHE 54 -6.066 -1.119 -2.473 466 HD1 PHE 54 HD1 PHE 54 -9.214 -0.493 -0.658 467 HD2 PHE 54 HD2 PHE 54 -5.524 1.225 -1.961 468 HE1 PHE 54 HE1 PHE 54 -9.550 1.382 0.890 469 HE2 PHE 54 HE2 PHE 54 -5.870 3.100 -0.407 470 HZ PHE 54 HZ PHE 54 -7.870 3.157 1.008 471 H GLU 55 H GLU 55 -5.527 -0.985 -5.045 472 HA GLU 55 HA GLU 55 -6.060 -3.723 -6.020 473 HB2 GLU 55 2HB GLU 55 -5.280 -2.127 -7.761 474 HB3 GLU 55 3HB GLU 55 -3.818 -1.811 -6.828 475 HG2 GLU 55 2HG GLU 55 -3.428 -3.385 -8.712 476 HG3 GLU 55 3HG GLU 55 -3.059 -4.106 -7.147 477 H VAL 56 H VAL 56 -5.708 -4.965 -4.275 478 HA VAL 56 HA VAL 56 -3.236 -4.668 -2.690 479 HB VAL 56 HB VAL 56 -5.656 -6.397 -1.970 480 HG11 VAL 56 1HG1 VAL 56 -4.736 -6.276 0.321 481 HG12 VAL 56 2HG1 VAL 56 -3.381 -5.310 -0.264 482 HG13 VAL 56 3HG1 VAL 56 -3.569 -6.979 -0.801 483 HG21 VAL 56 3HG2 VAL 56 -6.428 -4.584 -0.503 484 HG22 VAL 56 1HG2 VAL 56 -6.412 -4.060 -2.186 485 HG23 VAL 56 2HG2 VAL 56 -5.137 -3.532 -1.084 486 H ARG 57 H ARG 57 -1.807 -6.366 -2.500 487 HA ARG 57 HA ARG 57 -2.183 -8.756 -4.194 488 HB2 ARG 57 2HB ARG 57 -0.986 -6.972 -5.492 489 HB3 ARG 57 3HB ARG 57 0.248 -6.900 -4.241 490 HG2 ARG 57 2HG ARG 57 1.105 -8.181 -6.102 491 HG3 ARG 57 3HG ARG 57 0.844 -9.282 -4.749 492 HD2 ARG 57 2HD ARG 57 -1.267 -10.041 -5.767 493 HD3 ARG 57 3HD ARG 57 -1.039 -8.921 -7.110 494 HE ARG 57 HE ARG 57 1.224 -10.469 -7.114 495 HH11 ARG 57 1HH1 ARG 57 -2.231 -11.160 -7.317 496 HH12 ARG 57 2HH1 ARG 57 -2.022 -12.588 -8.276 497 HH21 ARG 57 1HH2 ARG 57 1.500 -12.315 -8.394 498 HH22 ARG 57 2HH2 ARG 57 0.127 -13.251 -8.896 499 H LYS 58 H LYS 58 -1.042 -10.568 -3.512 500 HA LYS 58 HA LYS 58 -0.031 -10.591 -0.759 501 HB2 LYS 58 2HB LYS 58 -1.694 -12.279 -1.354 502 HB3 LYS 58 3HB LYS 58 -0.733 -12.811 -2.727 503 HG2 LYS 58 2HG LYS 58 0.953 -13.772 -1.260 504 HG3 LYS 58 3HG LYS 58 0.181 -13.057 0.161 505 HD2 LYS 58 2HD LYS 58 -0.366 -15.455 0.009 506 HD3 LYS 58 3HD LYS 58 -1.820 -14.477 -0.195 507 HE2 LYS 58 2HE LYS 58 -1.579 -14.760 -2.689 508 HE3 LYS 58 3HE LYS 58 -0.237 -15.865 -2.387 509 HZ1 LYS 58 3HZ LYS 58 -1.759 -17.283 -1.137 510 HZ2 LYS 58 1HZ LYS 58 -2.278 -17.077 -2.732 511 HZ3 LYS 58 2HZ LYS 58 -3.041 -16.240 -1.476 512 H VAL 59 H VAL 59 2.080 -10.807 -0.296 513 HA VAL 59 HA VAL 59 4.052 -11.376 -2.447 514 HB VAL 59 HB VAL 59 5.664 -10.009 -1.019 515 HG11 VAL 59 1HG1 VAL 59 4.860 -7.810 -1.796 516 HG12 VAL 59 2HG1 VAL 59 3.260 -8.490 -2.103 517 HG13 VAL 59 3HG1 VAL 59 4.651 -9.043 -3.041 518 HG21 VAL 59 3HG2 VAL 59 3.122 -9.169 0.444 519 HG22 VAL 59 1HG2 VAL 59 4.710 -8.426 0.648 520 HG23 VAL 59 2HG2 VAL 59 4.455 -10.101 1.127 521 H LYS 60 H LYS 60 5.871 -12.660 -1.809 522 HA LYS 60 HA LYS 60 5.259 -14.632 0.221 523 HB2 LYS 60 2HB LYS 60 7.349 -15.788 -0.610 524 HB3 LYS 60 3HB LYS 60 6.099 -15.543 -1.812 525 HG2 LYS 60 2HG LYS 60 8.087 -15.099 -2.973 526 HG3 LYS 60 3HG LYS 60 7.455 -13.502 -2.593 527 HD2 LYS 60 2HD LYS 60 9.870 -13.547 -2.260 528 HD3 LYS 60 3HD LYS 60 9.061 -13.323 -0.711 529 HE2 LYS 60 2HE LYS 60 10.900 -14.880 -0.440 530 HE3 LYS 60 3HE LYS 60 9.385 -15.763 -0.248 531 HZ1 LYS 60 3HZ LYS 60 9.601 -16.658 -2.412 532 HZ2 LYS 60 1HZ LYS 60 11.086 -16.889 -1.637 533 HZ3 LYS 60 2HZ LYS 60 10.909 -15.658 -2.787 534 H ASP 61 H ASP 61 7.225 -11.775 0.037 535 HA ASP 61 HA ASP 61 7.925 -11.849 2.803 536 HB2 ASP 61 2HB ASP 61 9.597 -13.506 1.802 537 HB3 ASP 61 3HB ASP 61 10.292 -12.174 0.890 538 H ASP 62 H ASP 62 9.293 -9.967 3.460 539 HA ASP 62 HA ASP 62 8.497 -7.527 2.291 540 HB2 ASP 62 2HB ASP 62 9.078 -7.892 4.709 541 HB3 ASP 62 3HB ASP 62 10.774 -8.033 4.261 542 H ASP 63 H ASP 63 11.530 -9.324 2.122 543 HA ASP 63 HA ASP 63 13.089 -7.650 0.537 544 HB2 ASP 63 2HB ASP 63 13.962 -9.769 1.468 545 HB3 ASP 63 3HB ASP 63 12.960 -10.693 0.356 546 H ASP 64 H ASP 64 10.493 -9.827 -0.422 547 HA ASP 64 HA ASP 64 10.731 -9.547 -3.255 548 HB2 ASP 64 2HB ASP 64 9.604 -11.484 -2.229 549 HB3 ASP 64 3HB ASP 64 8.378 -10.444 -1.520 550 H ILE 65 H ILE 65 8.905 -7.928 -0.711 551 HA ILE 65 HA ILE 65 7.170 -6.272 -2.135 552 HB ILE 65 HB ILE 65 8.601 -5.863 0.517 553 HG12 ILE 65 2HG1 ILE 65 5.708 -6.474 -0.217 554 HG13 ILE 65 3HG1 ILE 65 6.867 -7.594 0.480 555 HG21 ILE 65 1HG2 ILE 65 6.562 -3.926 -0.612 556 HG22 ILE 65 2HG2 ILE 65 8.272 -3.593 -0.341 557 HG23 ILE 65 3HG2 ILE 65 7.209 -3.907 1.028 558 HD11 ILE 65 3HD1 ILE 65 5.641 -5.197 1.832 559 HD12 ILE 65 1HD1 ILE 65 6.882 -6.233 2.545 560 HD13 ILE 65 2HD1 ILE 65 5.299 -6.897 2.140 561 H ASP 66 H ASP 66 10.560 -5.525 -1.182 562 HA ASP 66 HA ASP 66 10.646 -2.954 -2.317 563 HB2 ASP 66 2HB ASP 66 12.306 -3.682 -0.665 564 HB3 ASP 66 3HB ASP 66 12.954 -4.875 -1.791 565 H LYS 67 H LYS 67 11.401 -6.127 -3.680 566 HA LYS 67 HA LYS 67 12.345 -5.182 -6.214 567 HB2 LYS 67 2HB LYS 67 11.537 -7.869 -5.113 568 HB3 LYS 67 3HB LYS 67 11.544 -7.692 -6.858 569 HG2 LYS 67 2HG LYS 67 13.643 -8.542 -6.524 570 HG3 LYS 67 3HG LYS 67 14.022 -6.828 -6.482 571 HD2 LYS 67 2HD LYS 67 13.487 -8.378 -3.929 572 HD3 LYS 67 3HD LYS 67 15.068 -8.426 -4.700 573 HE2 LYS 67 2HE LYS 67 15.258 -5.977 -4.477 574 HE3 LYS 67 3HE LYS 67 13.670 -5.925 -3.705 575 HZ1 LYS 67 3HZ LYS 67 15.433 -5.897 -2.068 576 HZ2 LYS 67 1HZ LYS 67 16.065 -7.348 -2.657 577 HZ3 LYS 67 2HZ LYS 67 14.545 -7.327 -1.919 578 H TRP 68 H TRP 68 9.195 -5.952 -4.890 579 HA TRP 68 HA TRP 68 7.642 -6.147 -7.243 580 HB2 TRP 68 2HB TRP 68 7.071 -6.863 -4.806 581 HB3 TRP 68 3HB TRP 68 6.629 -5.188 -4.520 582 HD1 TRP 68 HD1 TRP 68 5.426 -8.375 -6.183 583 HE1 TRP 68 HE1 TRP 68 2.984 -8.094 -6.912 584 HE3 TRP 68 HE3 TRP 68 4.883 -3.354 -5.304 585 HZ2 TRP 68 HZ2 TRP 68 1.067 -6.036 -7.076 586 HZ3 TRP 68 HZ3 TRP 68 2.696 -2.313 -5.751 587 HH2 TRP 68 HH2 TRP 68 0.830 -3.637 -6.618 588 H ILE 69 H ILE 69 8.502 -3.454 -5.125 589 HA ILE 69 HA ILE 69 7.030 -1.432 -6.581 590 HB ILE 69 HB ILE 69 8.965 -1.414 -4.248 591 HG12 ILE 69 2HG1 ILE 69 7.042 -0.045 -3.220 592 HG13 ILE 69 3HG1 ILE 69 6.120 -0.408 -4.667 593 HG21 ILE 69 1HG2 ILE 69 8.193 1.141 -5.691 594 HG22 ILE 69 2HG2 ILE 69 9.818 0.469 -5.548 595 HG23 ILE 69 3HG2 ILE 69 8.975 1.050 -4.112 596 HD11 ILE 69 3HD1 ILE 69 5.546 -1.855 -2.801 597 HD12 ILE 69 1HD1 ILE 69 7.209 -2.427 -2.718 598 HD13 ILE 69 2HD1 ILE 69 6.223 -2.783 -4.138 599 H ASP 70 H ASP 70 10.334 -2.671 -6.498 600 HA ASP 70 HA ASP 70 11.723 -0.607 -7.756 601 HB2 ASP 70 2HB ASP 70 12.756 -2.540 -6.493 602 HB3 ASP 70 3HB ASP 70 12.437 -3.571 -7.883 603 H LYS 71 H LYS 71 10.174 -3.490 -9.105 604 HA LYS 71 HA LYS 71 10.954 -3.024 -11.797 605 HB2 LYS 71 2HB LYS 71 9.305 -4.747 -12.430 606 HB3 LYS 71 3HB LYS 71 10.352 -5.270 -11.119 607 HG2 LYS 71 2HG LYS 71 8.551 -4.912 -9.488 608 HG3 LYS 71 3HG LYS 71 7.499 -4.292 -10.764 609 HD2 LYS 71 2HD LYS 71 6.929 -6.621 -10.236 610 HD3 LYS 71 3HD LYS 71 7.543 -6.495 -11.886 611 HE2 LYS 71 2HE LYS 71 8.475 -8.469 -10.799 612 HE3 LYS 71 3HE LYS 71 9.760 -7.298 -11.091 613 HZ1 LYS 71 3HZ LYS 71 8.366 -7.689 -8.497 614 HZ2 LYS 71 1HZ LYS 71 9.640 -6.624 -8.796 615 HZ3 LYS 71 2HZ LYS 71 9.898 -8.285 -8.882 616 H ILE 72 H ILE 72 7.989 -2.143 -9.966 617 HA ILE 72 HA ILE 72 6.466 -1.243 -12.199 618 HB ILE 72 HB ILE 72 6.207 -0.496 -9.244 619 HG12 ILE 72 2HG1 ILE 72 4.707 -2.545 -10.955 620 HG13 ILE 72 3HG1 ILE 72 5.865 -2.909 -9.683 621 HG21 ILE 72 1HG2 ILE 72 4.205 0.002 -11.490 622 HG22 ILE 72 2HG2 ILE 72 5.125 1.239 -10.633 623 HG23 ILE 72 3HG2 ILE 72 3.914 0.293 -9.773 624 HD11 ILE 72 3HD1 ILE 72 4.335 -1.936 -8.028 625 HD12 ILE 72 1HD1 ILE 72 3.617 -3.279 -8.915 626 HD13 ILE 72 2HD1 ILE 72 3.163 -1.624 -9.312 627 H LYS 73 H LYS 73 8.790 0.400 -10.088 628 HA LYS 73 HA LYS 73 8.416 3.047 -10.977 629 HB2 LYS 73 2HB LYS 73 10.933 1.669 -9.958 630 HB3 LYS 73 3HB LYS 73 10.819 3.400 -10.249 631 HG2 LYS 73 2HG LYS 73 8.978 3.538 -8.582 632 HG3 LYS 73 3HG LYS 73 9.185 1.822 -8.239 633 HD2 LYS 73 2HD LYS 73 11.315 3.957 -7.841 634 HD3 LYS 73 3HD LYS 73 10.308 3.284 -6.561 635 HE2 LYS 73 2HE LYS 73 11.277 1.035 -7.028 636 HE3 LYS 73 3HE LYS 73 12.333 1.766 -8.240 637 HZ1 LYS 73 3HZ LYS 73 13.306 3.136 -6.480 638 HZ2 LYS 73 1HZ LYS 73 13.489 1.487 -6.151 639 HZ3 LYS 73 2HZ LYS 73 12.317 2.388 -5.337 640 H LYS 74 H LYS 74 10.130 0.334 -12.395 641 HA LYS 74 HA LYS 74 11.432 1.825 -14.511 642 HB2 LYS 74 2HB LYS 74 12.477 -0.196 -13.550 643 HB3 LYS 74 3HB LYS 74 11.096 -1.173 -14.029 644 HG2 LYS 74 2HG LYS 74 11.647 -0.628 -16.436 645 HG3 LYS 74 3HG LYS 74 13.121 0.156 -15.865 646 HD2 LYS 74 2HD LYS 74 12.391 -2.771 -15.469 647 HD3 LYS 74 3HD LYS 74 13.563 -2.153 -16.629 648 HE2 LYS 74 2HE LYS 74 14.988 -1.359 -14.795 649 HE3 LYS 74 3HE LYS 74 13.798 -1.907 -13.611 650 HZ1 LYS 74 3HZ LYS 74 15.297 -3.644 -15.502 651 HZ2 LYS 74 1HZ LYS 74 14.154 -4.178 -14.375 652 HZ3 LYS 74 2HZ LYS 74 15.603 -3.487 -13.849 653 H GLU 75 H GLU 75 8.683 -0.402 -14.176 654 HA GLU 75 HA GLU 75 7.944 -0.757 -16.845 655 HB2 GLU 75 2HB GLU 75 6.171 -0.737 -14.355 656 HB3 GLU 75 3HB GLU 75 5.665 -1.335 -15.926 657 HG2 GLU 75 2HG GLU 75 7.894 -2.513 -14.258 658 HG3 GLU 75 3HG GLU 75 6.250 -3.133 -14.337 659 H ARG 76 H ARG 76 6.722 1.512 -14.425 660 HA ARG 76 HA ARG 76 5.460 3.198 -16.504 661 HB2 ARG 76 2HB ARG 76 4.388 2.789 -13.675 662 HB3 ARG 76 3HB ARG 76 3.566 3.530 -15.043 663 HG2 ARG 76 2HG ARG 76 3.398 1.331 -16.155 664 HG3 ARG 76 3HG ARG 76 4.278 0.581 -14.824 665 HD2 ARG 76 2HD ARG 76 1.939 0.119 -14.528 666 HD3 ARG 76 3HD ARG 76 2.421 1.279 -13.282 667 HE ARG 76 HE ARG 76 1.463 2.706 -15.486 668 HH11 ARG 76 1HH1 ARG 76 0.184 0.567 -13.002 669 HH12 ARG 76 2HH1 ARG 76 -1.406 1.261 -13.047 670 HH21 ARG 76 1HH2 ARG 76 -0.608 3.577 -15.581 671 HH22 ARG 76 2HH2 ARG 76 -1.848 2.982 -14.523 672 HA PRO 77 HA PRO 77 8.632 5.633 -14.044 673 HB2 PRO 77 2HB PRO 77 9.794 6.949 -16.121 674 HB3 PRO 77 3HB PRO 77 10.177 5.247 -15.780 675 HG2 PRO 77 2HG PRO 77 8.276 6.366 -17.822 676 HG3 PRO 77 3HG PRO 77 9.506 5.095 -18.015 677 HD2 PRO 77 2HD PRO 77 6.860 4.530 -17.613 678 HD3 PRO 77 3HD PRO 77 8.168 3.462 -17.049 679 H GLN 78 H GLN 78 5.902 6.375 -15.870 680 HA GLN 78 HA GLN 78 5.839 9.210 -15.824 681 HB2 GLN 78 2HB GLN 78 3.512 8.987 -16.454 682 HB3 GLN 78 3HB GLN 78 4.449 7.798 -17.346 683 HG2 GLN 78 2HG GLN 78 3.504 5.996 -16.214 684 HG3 GLN 78 3HG GLN 78 3.131 6.942 -14.778 685 HE21 GLN 78 1HE2 GLN 78 2.263 7.791 -18.127 686 HE22 GLN 78 2HE2 GLN 78 0.560 7.675 -17.878 687 H LEU 79 H LEU 79 5.341 6.851 -13.374 688 HA LEU 79 HA LEU 79 4.039 8.800 -11.573 689 HB2 LEU 79 2HB LEU 79 2.803 6.809 -10.543 690 HB3 LEU 79 3HB LEU 79 2.257 7.371 -12.105 691 HG LEU 79 HG LEU 79 3.637 5.403 -13.105 692 HD11 LEU 79 1HD1 LEU 79 3.930 3.430 -11.683 693 HD12 LEU 79 2HD1 LEU 79 3.460 4.369 -10.264 694 HD13 LEU 79 3HD1 LEU 79 4.935 4.773 -11.143 695 HD21 LEU 79 3HD2 LEU 79 1.771 3.832 -12.834 696 HD22 LEU 79 1HD2 LEU 79 1.195 5.470 -13.132 697 HD23 LEU 79 2HD2 LEU 79 1.133 4.799 -11.502 698 H GLU 80 H GLU 80 4.585 8.705 -9.391 699 HA GLU 80 HA GLU 80 7.131 7.464 -8.701 700 HB2 GLU 80 2HB GLU 80 5.236 9.116 -6.965 701 HB3 GLU 80 3HB GLU 80 6.883 8.670 -6.550 702 HG2 GLU 80 2HG GLU 80 6.043 10.524 -8.790 703 HG3 GLU 80 3HG GLU 80 6.759 11.005 -7.253 704 H VAL 81 H VAL 81 7.357 5.936 -6.988 705 HA VAL 81 HA VAL 81 4.911 4.483 -6.143 706 HB VAL 81 HB VAL 81 7.480 3.018 -6.954 707 HG11 VAL 81 1HG1 VAL 81 6.017 1.826 -5.377 708 HG12 VAL 81 2HG1 VAL 81 6.052 1.017 -6.941 709 HG13 VAL 81 3HG1 VAL 81 4.653 1.993 -6.489 710 HG21 VAL 81 3HG2 VAL 81 6.406 2.331 -9.067 711 HG22 VAL 81 1HG2 VAL 81 6.597 4.085 -8.995 712 HG23 VAL 81 2HG2 VAL 81 5.015 3.360 -8.712 713 H ARG 82 H ARG 82 4.883 4.752 -3.991 714 HA ARG 82 HA ARG 82 7.422 5.168 -2.503 715 HB2 ARG 82 2HB ARG 82 5.885 7.093 -2.439 716 HB3 ARG 82 3HB ARG 82 4.566 6.066 -1.890 717 HG2 ARG 82 2HG ARG 82 5.463 7.405 -0.036 718 HG3 ARG 82 3HG ARG 82 5.737 5.687 0.255 719 HD2 ARG 82 2HD ARG 82 8.080 5.931 -0.477 720 HD3 ARG 82 3HD ARG 82 7.810 7.643 -0.802 721 HE ARG 82 HE ARG 82 7.172 7.060 1.892 722 HH11 ARG 82 1HH1 ARG 82 9.979 7.318 -0.227 723 HH12 ARG 82 2HH1 ARG 82 11.058 7.764 1.058 724 HH21 ARG 82 1HH2 ARG 82 8.609 7.672 3.568 725 HH22 ARG 82 2HH2 ARG 82 10.279 7.963 3.207 726 H LYS 83 H LYS 83 7.952 3.744 -0.895 727 HA LYS 83 HA LYS 83 6.082 1.581 -0.194 728 HB2 LYS 83 2HB LYS 83 9.024 1.944 0.527 729 HB3 LYS 83 3HB LYS 83 8.028 0.570 0.996 730 HG2 LYS 83 2HG LYS 83 7.658 0.418 -1.668 731 HG3 LYS 83 3HG LYS 83 9.212 1.245 -1.671 732 HD2 LYS 83 2HD LYS 83 8.589 -1.444 -0.396 733 HD3 LYS 83 3HD LYS 83 9.554 -1.165 -1.844 734 HE2 LYS 83 2HE LYS 83 10.280 -0.256 0.961 735 HE3 LYS 83 3HE LYS 83 10.979 -1.629 0.104 736 HZ1 LYS 83 3HZ LYS 83 12.321 0.417 0.045 737 HZ2 LYS 83 1HZ LYS 83 11.130 1.164 -0.885 738 HZ3 LYS 83 2HZ LYS 83 11.949 -0.190 -1.480 739 H VAL 84 H VAL 84 4.737 2.086 1.366 740 HA VAL 84 HA VAL 84 5.524 3.751 3.667 741 HB VAL 84 HB VAL 84 2.803 2.813 2.646 742 HG11 VAL 84 1HG1 VAL 84 1.752 4.155 4.417 743 HG12 VAL 84 2HG1 VAL 84 3.336 4.505 5.112 744 HG13 VAL 84 3HG1 VAL 84 2.724 2.851 5.102 745 HG21 VAL 84 3HG2 VAL 84 3.822 4.635 1.339 746 HG22 VAL 84 1HG2 VAL 84 4.013 5.601 2.806 747 HG23 VAL 84 2HG2 VAL 84 2.399 5.208 2.210 748 H THR 85 H THR 85 6.756 2.351 4.799 749 HA THR 85 HA THR 85 6.015 -0.417 5.278 750 HB THR 85 HB THR 85 8.217 -0.462 6.470 751 HG1 THR 85 HG1 THR 85 8.614 1.503 7.255 752 HG21 THR 85 3HG2 THR 85 9.641 -0.049 4.482 753 HG22 THR 85 1HG2 THR 85 8.322 0.835 3.709 754 HG23 THR 85 2HG2 THR 85 8.164 -0.897 4.023 755 H ASP 86 H ASP 86 5.602 2.583 6.826 756 HA ASP 86 HA ASP 86 4.541 1.318 9.273 757 HB2 ASP 86 2HB ASP 86 6.273 3.839 9.147 758 HB3 ASP 86 3HB ASP 86 5.385 3.312 10.574 759 H GLU 87 H GLU 87 2.705 2.358 10.110 760 HA GLU 87 HA GLU 87 1.016 3.949 8.585 761 HB2 GLU 87 2HB GLU 87 -0.274 4.361 10.594 762 HB3 GLU 87 3HB GLU 87 0.346 2.724 10.668 763 HG2 GLU 87 2HG GLU 87 1.480 5.090 12.172 764 HG3 GLU 87 3HG GLU 87 0.417 3.872 12.857 765 H ASP 88 H ASP 88 3.702 4.898 10.638 766 HA ASP 88 HA ASP 88 3.411 7.663 10.832 767 HB2 ASP 88 2HB ASP 88 5.050 6.280 12.095 768 HB3 ASP 88 3HB ASP 88 5.967 5.994 10.622 769 H GLN 89 H GLN 89 4.956 5.693 8.313 770 HA GLN 89 HA GLN 89 5.854 7.740 6.606 771 HB2 GLN 89 2HB GLN 89 5.004 4.870 6.020 772 HB3 GLN 89 3HB GLN 89 5.680 5.924 4.793 773 HG2 GLN 89 2HG GLN 89 7.172 5.265 7.344 774 HG3 GLN 89 3HG GLN 89 7.269 4.269 5.892 775 HE21 GLN 89 1HE2 GLN 89 9.507 4.692 5.661 776 HE22 GLN 89 2HE2 GLN 89 10.100 6.219 5.115 777 H ALA 90 H ALA 90 2.743 6.020 6.788 778 HA ALA 90 HA ALA 90 1.466 7.247 4.583 779 HB1 ALA 90 3HB ALA 90 0.200 6.026 7.056 780 HB2 ALA 90 1HB ALA 90 0.663 5.159 5.593 781 HB3 ALA 90 2HB ALA 90 -0.623 6.366 5.531 782 H LYS 91 H LYS 91 1.650 8.183 8.010 783 HA LYS 91 HA LYS 91 -0.230 10.339 7.905 784 HB2 LYS 91 2HB LYS 91 2.009 9.703 9.884 785 HB3 LYS 91 3HB LYS 91 0.802 10.964 10.129 786 HG2 LYS 91 2HG LYS 91 -0.985 9.352 10.280 787 HG3 LYS 91 3HG LYS 91 0.074 8.051 9.734 788 HD2 LYS 91 2HD LYS 91 -0.259 7.821 12.123 789 HD3 LYS 91 3HD LYS 91 1.414 8.301 11.839 790 HE2 LYS 91 2HE LYS 91 0.873 10.613 12.460 791 HE3 LYS 91 3HE LYS 91 -0.826 10.177 12.671 792 HZ1 LYS 91 3HZ LYS 91 1.435 9.069 14.254 793 HZ2 LYS 91 1HZ LYS 91 -0.203 8.702 14.462 794 HZ3 LYS 91 2HZ LYS 91 0.360 10.263 14.779 795 H GLN 92 H GLN 92 3.238 10.016 7.390 796 HA GLN 92 HA GLN 92 3.884 12.790 7.372 797 HB2 GLN 92 2HB GLN 92 5.616 11.070 7.761 798 HB3 GLN 92 3HB GLN 92 5.369 10.422 6.144 799 HG2 GLN 92 2HG GLN 92 7.422 11.831 6.356 800 HG3 GLN 92 3HG GLN 92 6.296 12.424 5.135 801 HE21 GLN 92 1HE2 GLN 92 5.330 14.423 5.427 802 HE22 GLN 92 2HE2 GLN 92 5.758 15.515 6.697 803 H ILE 93 H ILE 93 3.432 10.391 4.709 804 HA ILE 93 HA ILE 93 3.595 12.311 2.660 805 HB ILE 93 HB ILE 93 2.686 10.669 1.098 806 HG12 ILE 93 2HG1 ILE 93 2.039 8.968 3.543 807 HG13 ILE 93 3HG1 ILE 93 0.865 9.713 2.466 808 HG21 ILE 93 1HG2 ILE 93 4.371 8.887 1.409 809 HG22 ILE 93 2HG2 ILE 93 4.591 9.373 3.091 810 HG23 ILE 93 3HG2 ILE 93 5.053 10.470 1.790 811 HD11 ILE 93 3HD1 ILE 93 1.139 7.332 2.061 812 HD12 ILE 93 1HD1 ILE 93 2.836 7.576 1.673 813 HD13 ILE 93 2HD1 ILE 93 1.583 8.286 0.649 814 H LEU 94 H LEU 94 0.776 11.331 4.599 815 HA LEU 94 HA LEU 94 -1.258 12.616 3.210 816 HB2 LEU 94 2HB LEU 94 -0.805 12.245 6.181 817 HB3 LEU 94 3HB LEU 94 -2.195 13.163 5.628 818 HG LEU 94 HG LEU 94 -1.635 10.255 4.907 819 HD11 LEU 94 1HD1 LEU 94 -3.504 9.713 6.399 820 HD12 LEU 94 2HD1 LEU 94 -3.654 11.413 6.857 821 HD13 LEU 94 3HD1 LEU 94 -2.198 10.507 7.276 822 HD21 LEU 94 3HD2 LEU 94 -3.917 10.261 3.967 823 HD22 LEU 94 1HD2 LEU 94 -2.874 11.408 3.129 824 HD23 LEU 94 2HD2 LEU 94 -4.063 11.989 4.297 825 H GLU 95 H GLU 95 0.892 14.120 5.676 826 HA GLU 95 HA GLU 95 -0.136 16.788 5.212 827 HB2 GLU 95 2HB GLU 95 1.692 17.571 6.714 828 HB3 GLU 95 3HB GLU 95 0.734 16.291 7.440 829 HG2 GLU 95 2HG GLU 95 2.462 14.688 7.172 830 HG3 GLU 95 3HG GLU 95 3.348 15.710 6.046 831 H ASP 96 H ASP 96 2.368 14.856 3.923 832 HA ASP 96 HA ASP 96 4.187 16.828 2.947 833 HB2 ASP 96 2HB ASP 96 4.845 14.439 3.212 834 HB3 ASP 96 3HB ASP 96 3.759 13.986 1.900 835 H LEU 97 H LEU 97 1.505 15.079 1.374 836 HA LEU 97 HA LEU 97 1.717 16.369 -1.156 837 HB2 LEU 97 2HB LEU 97 -0.439 14.696 0.165 838 HB3 LEU 97 3HB LEU 97 -0.825 15.574 -1.304 839 HG LEU 97 HG LEU 97 0.995 14.353 -2.512 840 HD11 LEU 97 1HD1 LEU 97 2.069 12.400 -1.561 841 HD12 LEU 97 2HD1 LEU 97 1.279 12.696 -0.006 842 HD13 LEU 97 3HD1 LEU 97 2.471 13.844 -0.629 843 HD21 LEU 97 3HD2 LEU 97 -1.298 13.516 -2.635 844 HD22 LEU 97 1HD2 LEU 97 -1.037 12.532 -1.193 845 HD23 LEU 97 2HD2 LEU 97 -0.144 12.187 -2.677 846 H LYS 98 H LYS 98 0.373 17.410 1.882 847 HA LYS 98 HA LYS 98 -1.347 19.469 0.759 848 HB2 LYS 98 2HB LYS 98 -0.426 19.262 3.666 849 HB3 LYS 98 3HB LYS 98 -1.817 20.138 3.046 850 HG2 LYS 98 2HG LYS 98 -1.461 17.162 3.307 851 HG3 LYS 98 3HG LYS 98 -2.634 18.176 4.136 852 HD2 LYS 98 2HD LYS 98 -2.615 17.566 1.155 853 HD3 LYS 98 3HD LYS 98 -3.651 16.795 2.352 854 HE2 LYS 98 2HE LYS 98 -4.751 18.928 2.824 855 HE3 LYS 98 3HE LYS 98 -3.679 19.756 1.689 856 HZ1 LYS 98 3HZ LYS 98 -5.830 19.238 0.700 857 HZ2 LYS 98 1HZ LYS 98 -5.577 17.586 0.974 858 HZ3 LYS 98 2HZ LYS 98 -4.577 18.427 -0.095 859 H LYS 99 H LYS 99 1.829 19.229 2.246 860 HA LYS 99 HA LYS 99 2.664 21.908 2.250 861 HB2 LYS 99 2HB LYS 99 4.316 19.369 1.799 862 HB3 LYS 99 3HB LYS 99 5.006 20.952 2.146 863 HG2 LYS 99 2HG LYS 99 4.005 20.985 4.355 864 HG3 LYS 99 3HG LYS 99 3.083 19.528 4.006 865 HD2 LYS 99 2HD LYS 99 4.876 18.851 5.429 866 HD3 LYS 99 3HD LYS 99 5.297 18.290 3.815 867 HE2 LYS 99 2HE LYS 99 6.365 20.895 4.927 868 HE3 LYS 99 3HE LYS 99 7.158 19.352 5.228 869 HZ1 LYS 99 3HZ LYS 99 7.400 19.056 2.833 870 HZ2 LYS 99 1HZ LYS 99 8.148 20.475 3.362 871 HZ3 LYS 99 2HZ LYS 99 6.671 20.556 2.557 872 H LYS 100 H LYS 100 2.979 19.404 -0.205 873 HA LYS 100 HA LYS 100 1.896 20.664 -2.346 874 HB2 LYS 100 2HB LYS 100 3.751 22.311 -2.420 875 HB3 LYS 100 3HB LYS 100 4.938 21.018 -2.458 876 HG2 LYS 100 2HG LYS 100 4.646 22.023 -4.674 877 HG3 LYS 100 3HG LYS 100 4.153 20.328 -4.678 878 HD2 LYS 100 2HD LYS 100 1.765 21.074 -4.467 879 HD3 LYS 100 3HD LYS 100 2.314 22.747 -4.581 880 HE2 LYS 100 2HE LYS 100 3.174 22.346 -6.833 881 HE3 LYS 100 3HE LYS 100 2.745 20.637 -6.714 882 HZ1 LYS 100 3HZ LYS 100 1.132 22.025 -7.955 883 HZ2 LYS 100 1HZ LYS 100 0.769 22.836 -6.524 884 HZ3 LYS 100 2HZ LYS 100 0.448 21.187 -6.659 885 H GLY 101 H GLY 101 4.299 18.485 -1.087 886 HA2 GLY 101 2HA GLY 101 4.867 16.337 -1.690 887 HA3 GLY 101 3HA GLY 101 3.753 16.421 -3.056 888 H SER 102 H SER 102 4.675 16.602 -5.021 889 HA SER 102 HA SER 102 6.753 18.373 -5.699 890 HB2 SER 102 2HB SER 102 8.487 16.568 -6.365 891 HB3 SER 102 3HB SER 102 8.356 16.933 -4.649 892 HG SER 102 HG SER 102 7.600 15.003 -4.271 893 H LEU 103 H LEU 103 5.850 15.085 -6.698 894 HA LEU 103 HA LEU 103 5.156 14.094 -8.556 895 HB2 LEU 103 2HB LEU 103 4.412 16.884 -9.516 896 HB3 LEU 103 3HB LEU 103 4.110 15.433 -10.454 897 HG LEU 103 HG LEU 103 2.889 15.980 -7.717 898 HD11 LEU 103 1HD1 LEU 103 1.589 16.249 -10.450 899 HD12 LEU 103 2HD1 LEU 103 2.041 17.577 -9.381 900 HD13 LEU 103 3HD1 LEU 103 0.788 16.444 -8.886 901 HD21 LEU 103 3HD2 LEU 103 3.103 13.580 -8.178 902 HD22 LEU 103 1HD2 LEU 103 2.279 13.781 -9.727 903 HD23 LEU 103 2HD2 LEU 103 1.416 14.080 -8.216 904 H GLU 104 H GLU 104 6.588 17.142 -9.613 905 HA GLU 104 HA GLU 104 8.181 17.726 -11.127 906 HB2 GLU 104 2HB GLU 104 9.601 15.584 -9.486 907 HB3 GLU 104 3HB GLU 104 10.443 16.647 -10.609 908 HG2 GLU 104 2HG GLU 104 9.662 18.620 -9.294 909 HG3 GLU 104 3HG GLU 104 8.888 17.518 -8.161 910 H HIS 105 H HIS 105 6.378 15.883 -12.304 911 HA HIS 105 HA HIS 105 7.927 13.907 -13.786 912 HB2 HIS 105 2HB HIS 105 4.940 14.473 -13.680 913 HB3 HIS 105 3HB HIS 105 5.668 13.246 -14.714 914 HD1 HIS 105 HD1 HIS 105 4.085 13.523 -11.539 915 HD2 HIS 105 HD2 HIS 105 7.279 11.330 -13.021 916 HE1 HIS 105 HE1 HIS 105 4.378 11.602 -9.954 917 HE2 HIS 105 HE2 HIS 105 6.444 10.433 -10.764 918 H HIS 106 H HIS 106 9.177 15.641 -14.801 919 HA HIS 106 HA HIS 106 8.029 16.875 -17.174 920 HB2 HIS 106 2HB HIS 106 10.354 17.525 -17.729 921 HB3 HIS 106 3HB HIS 106 9.921 18.004 -16.093 922 HD1 HIS 106 HD1 HIS 106 12.545 16.343 -17.931 923 HD2 HIS 106 HD2 HIS 106 11.049 16.116 -14.061 924 HE1 HIS 106 HE1 HIS 106 14.368 15.293 -16.558 925 HE2 HIS 106 HE2 HIS 106 13.460 15.223 -14.223 926 H HIS 107 H HIS 107 8.719 16.239 -19.330 927 HA HIS 107 HA HIS 107 8.810 14.786 -21.063 928 HB2 HIS 107 2HB HIS 107 10.844 13.747 -20.175 929 HB3 HIS 107 3HB HIS 107 9.914 12.784 -19.041 930 HD1 HIS 107 HD1 HIS 107 10.632 13.063 -22.741 931 HD2 HIS 107 HD2 HIS 107 9.157 10.318 -19.998 932 HE1 HIS 107 HE1 HIS 107 10.393 10.913 -24.000 933 HE2 HIS 107 HE2 HIS 107 9.318 9.334 -22.379 934 H HIS 108 H HIS 108 6.867 14.476 -18.373 935 HA HIS 108 HA HIS 108 5.167 12.286 -19.348 936 HB2 HIS 108 2HB HIS 108 5.762 12.158 -17.005 937 HB3 HIS 108 3HB HIS 108 5.345 13.844 -16.738 938 HD1 HIS 108 HD1 HIS 108 3.699 10.517 -17.438 939 HD2 HIS 108 HD2 HIS 108 2.771 14.226 -15.830 940 HE1 HIS 108 HE1 HIS 108 1.414 10.270 -16.445 941 HE2 HIS 108 HE2 HIS 108 0.808 12.570 -15.673 942 H HIS 109 H HIS 109 4.021 13.157 -21.020 943 HA HIS 109 HA HIS 109 2.376 15.588 -20.608 944 HB2 HIS 109 2HB HIS 109 2.910 13.955 -23.137 945 HB3 HIS 109 3HB HIS 109 1.919 15.408 -23.060 946 HD1 HIS 109 HD1 HIS 109 3.208 17.212 -24.201 947 HD2 HIS 109 HD2 HIS 109 5.686 14.845 -21.855 948 HE1 HIS 109 HE1 HIS 109 5.499 18.220 -24.400 949 HE2 HIS 109 HE2 HIS 109 6.987 16.657 -23.128 950 H HIS 110 H HIS 110 2.232 12.106 -21.117 951 HA HIS 110 HA HIS 110 -0.714 12.066 -21.158 952 HB2 HIS 110 2HB HIS 110 1.325 9.839 -21.617 953 HB3 HIS 110 3HB HIS 110 -0.416 9.647 -21.741 954 HD1 HIS 110 HD1 HIS 110 -1.542 10.450 -23.863 955 HD2 HIS 110 HD2 HIS 110 2.542 11.211 -23.796 956 HE1 HIS 110 HE1 HIS 110 -0.946 11.106 -26.201 957 HE2 HIS 110 HE2 HIS 110 1.486 11.732 -26.097 Start of MODEL 8 1 H1 MET 1 1H MET 1 -1.073 15.411 -16.081 2 H2 MET 1 2H MET 1 -2.644 15.592 -15.504 3 H3 MET 1 3H MET 1 -2.385 15.026 -17.069 4 HA MET 1 HA MET 1 -3.012 13.239 -15.593 5 HB2 MET 1 2HB MET 1 -0.056 13.020 -16.377 6 HB3 MET 1 3HB MET 1 -1.168 11.679 -16.119 7 HG2 MET 1 2HG MET 1 -0.819 11.988 -18.493 8 HG3 MET 1 3HG MET 1 -2.480 12.426 -18.096 9 HE1 MET 1 3HE MET 1 0.714 14.709 -17.395 10 HE2 MET 1 1HE MET 1 0.806 15.605 -18.914 11 HE3 MET 1 2HE MET 1 1.129 13.871 -18.892 12 H GLY 2 H GLY 2 -3.270 13.179 -13.388 13 HA2 GLY 2 2HA GLY 2 -1.109 13.931 -11.544 14 HA3 GLY 2 3HA GLY 2 -2.768 13.515 -11.127 15 H SER 3 H SER 3 -0.259 11.812 -12.981 16 HA SER 3 HA SER 3 -0.995 9.254 -11.881 17 HB2 SER 3 2HB SER 3 1.332 9.971 -13.723 18 HB3 SER 3 3HB SER 3 0.655 8.361 -13.456 19 HG SER 3 HG SER 3 -1.394 9.698 -14.184 20 H LYS 4 H LYS 4 -0.392 8.905 -9.813 21 HA LYS 4 HA LYS 4 2.340 8.416 -9.202 22 HB2 LYS 4 2HB LYS 4 2.347 10.852 -8.762 23 HB3 LYS 4 3HB LYS 4 0.987 10.685 -7.657 24 HG2 LYS 4 2HG LYS 4 2.325 9.517 -6.036 25 HG3 LYS 4 3HG LYS 4 3.639 9.273 -7.193 26 HD2 LYS 4 2HD LYS 4 4.219 11.046 -5.596 27 HD3 LYS 4 3HD LYS 4 4.078 11.699 -7.229 28 HE2 LYS 4 2HE LYS 4 3.044 13.232 -5.664 29 HE3 LYS 4 3HE LYS 4 1.782 12.514 -6.660 30 HZ1 LYS 4 3HZ LYS 4 1.151 12.612 -4.345 31 HZ2 LYS 4 1HZ LYS 4 2.503 11.703 -3.901 32 HZ3 LYS 4 2HZ LYS 4 1.286 10.998 -4.834 33 H ILE 5 H ILE 5 2.437 6.854 -7.647 34 HA ILE 5 HA ILE 5 -0.115 6.058 -6.366 35 HB ILE 5 HB ILE 5 0.591 3.694 -6.586 36 HG12 ILE 5 2HG1 ILE 5 2.928 4.765 -8.256 37 HG13 ILE 5 3HG1 ILE 5 3.063 4.084 -6.640 38 HG21 ILE 5 1HG2 ILE 5 -0.876 4.652 -8.314 39 HG22 ILE 5 2HG2 ILE 5 0.190 3.435 -9.015 40 HG23 ILE 5 3HG2 ILE 5 0.528 5.151 -9.262 41 HD11 ILE 5 3HD1 ILE 5 3.742 2.492 -8.300 42 HD12 ILE 5 1HD1 ILE 5 2.179 2.608 -9.107 43 HD13 ILE 5 2HD1 ILE 5 2.288 1.932 -7.480 44 H ILE 6 H ILE 6 -0.024 5.217 -4.341 45 HA ILE 6 HA ILE 6 2.537 5.401 -2.844 46 HB ILE 6 HB ILE 6 -0.291 5.956 -1.837 47 HG12 ILE 6 2HG1 ILE 6 0.623 7.841 -3.173 48 HG13 ILE 6 3HG1 ILE 6 0.466 8.288 -1.484 49 HG21 ILE 6 1HG2 ILE 6 1.002 4.826 -0.099 50 HG22 ILE 6 2HG2 ILE 6 0.768 6.517 0.332 51 HG23 ILE 6 3HG2 ILE 6 2.329 5.980 -0.290 52 HD11 ILE 6 3HD1 ILE 6 2.483 9.190 -2.444 53 HD12 ILE 6 1HD1 ILE 6 3.023 7.577 -2.908 54 HD13 ILE 6 2HD1 ILE 6 2.891 8.008 -1.201 55 H VAL 7 H VAL 7 3.212 3.412 -2.544 56 HA VAL 7 HA VAL 7 1.426 1.125 -2.261 57 HB VAL 7 HB VAL 7 4.474 1.334 -2.335 58 HG11 VAL 7 1HG1 VAL 7 4.474 -1.140 -2.521 59 HG12 VAL 7 2HG1 VAL 7 2.737 -1.160 -2.230 60 HG13 VAL 7 3HG1 VAL 7 3.835 -0.589 -0.971 61 HG21 VAL 7 3HG2 VAL 7 3.394 1.843 -4.503 62 HG22 VAL 7 1HG2 VAL 7 2.523 0.306 -4.447 63 HG23 VAL 7 2HG2 VAL 7 4.282 0.322 -4.585 64 H ILE 8 H ILE 8 0.705 0.539 -0.307 65 HA ILE 8 HA ILE 8 2.147 1.395 2.131 66 HB ILE 8 HB ILE 8 -0.831 0.787 1.822 67 HG12 ILE 8 2HG1 ILE 8 0.605 3.474 2.101 68 HG13 ILE 8 3HG1 ILE 8 -0.175 2.870 0.644 69 HG21 ILE 8 1HG2 ILE 8 -1.043 1.701 4.122 70 HG22 ILE 8 2HG2 ILE 8 0.710 1.881 4.213 71 HG23 ILE 8 3HG2 ILE 8 -0.004 0.271 4.089 72 HD11 ILE 8 3HD1 ILE 8 -2.331 2.910 1.811 73 HD12 ILE 8 1HD1 ILE 8 -1.562 4.488 1.690 74 HD13 ILE 8 2HD1 ILE 8 -1.532 3.615 3.222 75 H ILE 9 H ILE 9 2.808 -0.116 3.431 76 HA ILE 9 HA ILE 9 2.437 -2.957 2.780 77 HB ILE 9 HB ILE 9 4.648 -1.523 4.333 78 HG12 ILE 9 2HG1 ILE 9 6.158 -2.604 2.558 79 HG13 ILE 9 3HG1 ILE 9 4.705 -3.036 1.675 80 HG21 ILE 9 1HG2 ILE 9 4.151 -3.634 5.471 81 HG22 ILE 9 2HG2 ILE 9 5.717 -3.730 4.668 82 HG23 ILE 9 3HG2 ILE 9 4.313 -4.520 3.951 83 HD11 ILE 9 3HD1 ILE 9 5.783 -1.080 0.735 84 HD12 ILE 9 1HD1 ILE 9 5.662 -0.235 2.279 85 HD13 ILE 9 2HD1 ILE 9 4.200 -0.650 1.381 86 H SER 10 H SER 10 0.556 -3.368 3.836 87 HA SER 10 HA SER 10 0.165 -2.456 6.617 88 HB2 SER 10 2HB SER 10 -1.880 -3.472 4.599 89 HB3 SER 10 3HB SER 10 -2.243 -2.879 6.218 90 HG SER 10 HG SER 10 -0.770 -1.082 4.840 91 H SER 11 H SER 11 0.520 -3.875 8.088 92 HA SER 11 HA SER 11 -0.188 -6.732 7.783 93 HB2 SER 11 2HB SER 11 1.951 -7.331 9.043 94 HB3 SER 11 3HB SER 11 2.212 -6.724 7.411 95 HG SER 11 HG SER 11 2.202 -4.737 9.312 96 H ASP 12 H ASP 12 -1.771 -6.966 9.217 97 HA ASP 12 HA ASP 12 -2.771 -7.417 11.170 98 HB2 ASP 12 2HB ASP 12 -0.594 -8.001 12.155 99 HB3 ASP 12 3HB ASP 12 -0.276 -6.309 12.519 100 H ASP 13 H ASP 13 -1.126 -4.271 11.618 101 HA ASP 13 HA ASP 13 -3.227 -3.079 13.112 102 HB2 ASP 13 2HB ASP 13 -0.803 -2.437 13.269 103 HB3 ASP 13 3HB ASP 13 -0.897 -1.739 11.654 104 H THR 14 H THR 14 -4.836 -1.652 12.498 105 HA THR 14 HA THR 14 -5.732 -1.934 9.727 106 HB THR 14 HB THR 14 -7.305 -0.826 12.100 107 HG1 THR 14 HG1 THR 14 -6.718 -2.916 12.618 108 HG21 THR 14 3HG2 THR 14 -8.304 -0.338 9.874 109 HG22 THR 14 1HG2 THR 14 -9.285 -1.495 10.780 110 HG23 THR 14 2HG2 THR 14 -8.244 -2.055 9.469 111 H THR 15 H THR 15 -4.436 0.576 11.797 112 HA THR 15 HA THR 15 -5.706 2.855 10.865 113 HB THR 15 HB THR 15 -2.753 2.821 11.617 114 HG1 THR 15 HG1 THR 15 -3.325 2.112 13.489 115 HG21 THR 15 3HG2 THR 15 -4.936 4.901 12.101 116 HG22 THR 15 1HG2 THR 15 -3.648 5.026 10.897 117 HG23 THR 15 2HG2 THR 15 -3.252 5.030 12.613 118 H LEU 16 H LEU 16 -3.038 1.049 9.394 119 HA LEU 16 HA LEU 16 -2.224 3.044 7.495 120 HB2 LEU 16 2HB LEU 16 -1.795 0.024 7.458 121 HB3 LEU 16 3HB LEU 16 -1.110 1.125 6.278 122 HG LEU 16 HG LEU 16 0.046 2.305 8.303 123 HD11 LEU 16 1HD1 LEU 16 -1.228 1.271 10.096 124 HD12 LEU 16 2HD1 LEU 16 0.491 0.917 10.262 125 HD13 LEU 16 3HD1 LEU 16 -0.611 -0.324 9.652 126 HD21 LEU 16 3HD2 LEU 16 0.966 -0.478 7.517 127 HD22 LEU 16 1HD2 LEU 16 1.970 0.799 8.213 128 HD23 LEU 16 2HD2 LEU 16 1.266 1.005 6.610 129 H GLU 17 H GLU 17 -4.649 0.554 7.525 130 HA GLU 17 HA GLU 17 -5.397 0.563 4.748 131 HB2 GLU 17 2HB GLU 17 -7.021 -0.288 7.183 132 HB3 GLU 17 3HB GLU 17 -7.332 -0.754 5.512 133 HG2 GLU 17 2HG GLU 17 -5.287 -2.090 5.456 134 HG3 GLU 17 3HG GLU 17 -4.831 -1.501 7.056 135 H GLU 18 H GLU 18 -6.454 2.246 7.678 136 HA GLU 18 HA GLU 18 -8.719 3.578 6.504 137 HB2 GLU 18 2HB GLU 18 -7.179 4.271 9.046 138 HB3 GLU 18 3HB GLU 18 -8.777 4.873 8.613 139 HG2 GLU 18 2HG GLU 18 -8.037 2.004 9.254 140 HG3 GLU 18 3HG GLU 18 -8.950 3.105 10.281 141 H LEU 19 H LEU 19 -5.328 4.374 7.030 142 HA LEU 19 HA LEU 19 -5.481 7.120 6.200 143 HB2 LEU 19 2HB LEU 19 -3.069 5.271 6.502 144 HB3 LEU 19 3HB LEU 19 -2.968 7.001 6.198 145 HG LEU 19 HG LEU 19 -4.111 5.692 8.697 146 HD11 LEU 19 1HD1 LEU 19 -1.552 7.279 8.353 147 HD12 LEU 19 2HD1 LEU 19 -1.683 5.539 8.617 148 HD13 LEU 19 3HD1 LEU 19 -2.196 6.657 9.877 149 HD21 LEU 19 3HD2 LEU 19 -3.865 8.640 8.066 150 HD22 LEU 19 1HD2 LEU 19 -4.341 7.952 9.616 151 HD23 LEU 19 2HD2 LEU 19 -5.361 7.715 8.201 152 H ALA 20 H ALA 20 -4.989 4.036 4.648 153 HA ALA 20 HA ALA 20 -3.952 4.711 2.163 154 HB1 ALA 20 3HB ALA 20 -6.039 2.590 2.790 155 HB2 ALA 20 1HB ALA 20 -4.293 2.394 2.942 156 HB3 ALA 20 2HB ALA 20 -5.016 2.644 1.352 157 H ARG 21 H ARG 21 -7.317 4.718 3.283 158 HA ARG 21 HA ARG 21 -8.577 5.598 0.921 159 HB2 ARG 21 2HB ARG 21 -9.897 4.646 2.725 160 HB3 ARG 21 3HB ARG 21 -9.365 5.891 3.850 161 HG2 ARG 21 2HG ARG 21 -11.666 6.296 3.148 162 HG3 ARG 21 3HG ARG 21 -10.613 7.590 2.582 163 HD2 ARG 21 2HD ARG 21 -10.546 6.106 0.357 164 HD3 ARG 21 3HD ARG 21 -12.063 5.478 1.005 165 HE ARG 21 HE ARG 21 -11.803 8.382 0.848 166 HH11 ARG 21 1HH1 ARG 21 -13.052 5.482 -0.721 167 HH12 ARG 21 2HH1 ARG 21 -14.173 6.358 -1.708 168 HH21 ARG 21 1HH2 ARG 21 -13.211 9.512 -0.499 169 HH22 ARG 21 2HH2 ARG 21 -14.261 8.654 -1.583 170 H LYS 22 H LYS 22 -7.176 7.394 3.648 171 HA LYS 22 HA LYS 22 -8.000 9.981 2.881 172 HB2 LYS 22 2HB LYS 22 -5.541 9.191 4.489 173 HB3 LYS 22 3HB LYS 22 -6.289 10.780 4.477 174 HG2 LYS 22 2HG LYS 22 -7.642 8.260 5.510 175 HG3 LYS 22 3HG LYS 22 -6.753 9.397 6.516 176 HD2 LYS 22 2HD LYS 22 -8.979 10.050 6.847 177 HD3 LYS 22 3HD LYS 22 -8.428 11.192 5.627 178 HE2 LYS 22 2HE LYS 22 -9.534 9.813 3.880 179 HE3 LYS 22 3HE LYS 22 -10.096 8.701 5.128 180 HZ1 LYS 22 3HZ LYS 22 -11.402 10.440 6.092 181 HZ2 LYS 22 1HZ LYS 22 -11.778 10.337 4.451 182 HZ3 LYS 22 2HZ LYS 22 -10.792 11.587 5.013 183 H ILE 23 H ILE 23 -5.175 8.063 2.045 184 HA ILE 23 HA ILE 23 -3.760 10.081 0.616 185 HB ILE 23 HB ILE 23 -3.485 7.042 0.613 186 HG12 ILE 23 2HG1 ILE 23 -1.784 9.118 2.088 187 HG13 ILE 23 3HG1 ILE 23 -3.137 8.273 2.827 188 HG21 ILE 23 1HG2 ILE 23 -1.224 7.396 -0.313 189 HG22 ILE 23 2HG2 ILE 23 -1.544 9.124 -0.458 190 HG23 ILE 23 3HG2 ILE 23 -2.473 7.974 -1.420 191 HD11 ILE 23 3HD1 ILE 23 -0.651 6.955 1.751 192 HD12 ILE 23 1HD1 ILE 23 -2.009 6.154 2.548 193 HD13 ILE 23 2HD1 ILE 23 -1.010 7.297 3.443 194 H LYS 24 H LYS 24 -6.185 7.605 -0.415 195 HA LYS 24 HA LYS 24 -5.837 8.263 -3.218 196 HB2 LYS 24 2HB LYS 24 -7.736 6.916 -3.760 197 HB3 LYS 24 3HB LYS 24 -6.808 6.052 -2.543 198 HG2 LYS 24 2HG LYS 24 -8.440 6.370 -0.878 199 HG3 LYS 24 3HG LYS 24 -9.175 7.736 -1.716 200 HD2 LYS 24 2HD LYS 24 -10.622 5.738 -1.807 201 HD3 LYS 24 3HD LYS 24 -10.110 6.241 -3.418 202 HE2 LYS 24 2HE LYS 24 -8.427 4.452 -3.452 203 HE3 LYS 24 3HE LYS 24 -8.885 3.983 -1.816 204 HZ1 LYS 24 3HZ LYS 24 -10.620 3.848 -4.215 205 HZ2 LYS 24 1HZ LYS 24 -11.111 3.476 -2.644 206 HZ3 LYS 24 2HZ LYS 24 -9.927 2.545 -3.398 207 H ASP 25 H ASP 25 -7.617 9.613 -0.570 208 HA ASP 25 HA ASP 25 -9.402 11.267 -2.077 209 HB2 ASP 25 2HB ASP 25 -8.394 11.515 0.783 210 HB3 ASP 25 3HB ASP 25 -9.600 12.593 0.089 211 H GLU 26 H GLU 26 -6.022 11.408 -1.632 212 HA GLU 26 HA GLU 26 -5.678 14.217 -2.197 213 HB2 GLU 26 2HB GLU 26 -3.682 11.946 -2.591 214 HB3 GLU 26 3HB GLU 26 -3.308 13.663 -2.509 215 HG2 GLU 26 2HG GLU 26 -4.390 11.996 -0.215 216 HG3 GLU 26 3HG GLU 26 -2.707 12.429 -0.446 217 H GLY 27 H GLY 27 -6.927 11.751 -4.051 218 HA2 GLY 27 2HA GLY 27 -7.709 11.887 -6.227 219 HA3 GLY 27 3HA GLY 27 -6.684 13.287 -6.503 220 H LEU 28 H LEU 28 -5.447 10.266 -5.196 221 HA LEU 28 HA LEU 28 -4.249 9.578 -7.806 222 HB2 LEU 28 2HB LEU 28 -2.130 8.997 -6.709 223 HB3 LEU 28 3HB LEU 28 -2.522 10.695 -6.599 224 HG LEU 28 HG LEU 28 -3.365 10.102 -4.171 225 HD11 LEU 28 1HD1 LEU 28 -3.228 7.665 -4.308 226 HD12 LEU 28 2HD1 LEU 28 -2.137 8.279 -3.072 227 HD13 LEU 28 3HD1 LEU 28 -1.497 7.753 -4.630 228 HD21 LEU 28 3HD2 LEU 28 -1.126 10.519 -3.272 229 HD22 LEU 28 1HD2 LEU 28 -1.482 11.560 -4.648 230 HD23 LEU 28 2HD2 LEU 28 -0.416 10.168 -4.849 231 H GLU 29 H GLU 29 -3.376 7.351 -7.881 232 HA GLU 29 HA GLU 29 -5.293 5.442 -6.815 233 HB2 GLU 29 2HB GLU 29 -4.578 5.431 -9.193 234 HB3 GLU 29 3HB GLU 29 -2.915 5.144 -8.701 235 HG2 GLU 29 2HG GLU 29 -3.467 2.935 -7.876 236 HG3 GLU 29 3HG GLU 29 -5.191 3.221 -8.114 237 H VAL 30 H VAL 30 -4.866 4.058 -5.130 238 HA VAL 30 HA VAL 30 -2.189 4.103 -3.852 239 HB VAL 30 HB VAL 30 -4.916 3.541 -2.563 240 HG11 VAL 30 1HG1 VAL 30 -3.688 3.534 -0.404 241 HG12 VAL 30 2HG1 VAL 30 -2.158 3.709 -1.272 242 HG13 VAL 30 3HG1 VAL 30 -3.121 2.245 -1.470 243 HG21 VAL 30 3HG2 VAL 30 -4.605 5.915 -3.137 244 HG22 VAL 30 1HG2 VAL 30 -3.069 5.940 -2.270 245 HG23 VAL 30 2HG2 VAL 30 -4.578 5.684 -1.388 246 H TYR 31 H TYR 31 -1.108 2.271 -3.689 247 HA TYR 31 HA TYR 31 -2.329 -0.343 -4.370 248 HB2 TYR 31 2HB TYR 31 0.592 0.586 -4.404 249 HB3 TYR 31 3HB TYR 31 0.097 -1.087 -4.643 250 HD1 TYR 31 HD2 TYR 31 -2.128 1.312 -6.238 251 HD2 TYR 31 HD1 TYR 31 1.511 -0.844 -6.767 252 HE1 TYR 31 HE2 TYR 31 -2.247 1.686 -8.639 253 HE2 TYR 31 HE1 TYR 31 1.381 -0.462 -9.194 254 HH TYR 31 HH TYR 31 -0.928 1.753 -10.553 255 H ILE 32 H ILE 32 -2.217 -1.956 -2.821 256 HA ILE 32 HA ILE 32 -0.957 -1.344 -0.212 257 HB ILE 32 HB ILE 32 -3.510 -2.988 -0.610 258 HG12 ILE 32 2HG1 ILE 32 -3.926 -0.554 -1.136 259 HG13 ILE 32 3HG1 ILE 32 -4.834 -1.136 0.251 260 HG21 ILE 32 1HG2 ILE 32 -3.726 -2.794 1.852 261 HG22 ILE 32 2HG2 ILE 32 -2.184 -1.936 1.925 262 HG23 ILE 32 3HG2 ILE 32 -2.239 -3.617 1.385 263 HD11 ILE 32 3HD1 ILE 32 -3.951 1.107 0.567 264 HD12 ILE 32 1HD1 ILE 32 -2.307 0.497 0.391 265 HD13 ILE 32 2HD1 ILE 32 -3.304 -0.021 1.756 266 H LEU 33 H LEU 33 0.672 -2.753 0.149 267 HA LEU 33 HA LEU 33 0.582 -5.485 -0.949 268 HB2 LEU 33 2HB LEU 33 2.935 -3.924 0.204 269 HB3 LEU 33 3HB LEU 33 3.007 -5.580 -0.386 270 HG LEU 33 HG LEU 33 2.588 -3.045 -1.998 271 HD11 LEU 33 1HD1 LEU 33 4.546 -3.802 -3.255 272 HD12 LEU 33 2HD1 LEU 33 4.675 -5.227 -2.220 273 HD13 LEU 33 3HD1 LEU 33 4.902 -3.614 -1.539 274 HD21 LEU 33 3HD2 LEU 33 2.268 -4.400 -4.018 275 HD22 LEU 33 1HD2 LEU 33 0.956 -4.620 -2.864 276 HD23 LEU 33 2HD2 LEU 33 2.196 -5.864 -3.035 277 H LEU 34 H LEU 34 -0.344 -6.823 0.373 278 HA LEU 34 HA LEU 34 -0.408 -6.304 3.267 279 HB2 LEU 34 2HB LEU 34 -2.428 -7.006 1.392 280 HB3 LEU 34 3HB LEU 34 -2.137 -8.497 2.253 281 HG LEU 34 HG LEU 34 -3.995 -7.336 3.281 282 HD11 LEU 34 1HD1 LEU 34 -1.564 -7.175 5.091 283 HD12 LEU 34 2HD1 LEU 34 -2.706 -8.507 4.926 284 HD13 LEU 34 3HD1 LEU 34 -3.235 -6.992 5.637 285 HD21 LEU 34 3HD2 LEU 34 -2.164 -4.958 3.594 286 HD22 LEU 34 1HD2 LEU 34 -3.798 -5.092 4.256 287 HD23 LEU 34 2HD2 LEU 34 -3.549 -5.102 2.512 288 H LYS 35 H LYS 35 0.667 -7.650 4.638 289 HA LYS 35 HA LYS 35 1.234 -10.417 3.838 290 HB2 LYS 35 2HB LYS 35 3.542 -10.290 4.833 291 HB3 LYS 35 3HB LYS 35 3.332 -9.423 3.320 292 HG2 LYS 35 2HG LYS 35 3.294 -7.291 4.482 293 HG3 LYS 35 3HG LYS 35 3.371 -8.105 6.053 294 HD2 LYS 35 2HD LYS 35 5.590 -8.997 5.528 295 HD3 LYS 35 3HD LYS 35 5.510 -8.334 3.893 296 HE2 LYS 35 2HE LYS 35 6.938 -6.990 5.388 297 HE3 LYS 35 3HE LYS 35 5.569 -6.063 4.782 298 HZ1 LYS 35 3HZ LYS 35 5.901 -5.642 7.111 299 HZ2 LYS 35 1HZ LYS 35 5.814 -7.291 7.476 300 HZ3 LYS 35 2HZ LYS 35 4.445 -6.478 6.910 301 H ASP 36 H ASP 36 0.873 -11.852 5.394 302 HA ASP 36 HA ASP 36 0.212 -10.975 8.142 303 HB2 ASP 36 2HB ASP 36 -1.874 -10.984 6.771 304 HB3 ASP 36 3HB ASP 36 -1.556 -12.641 6.299 305 H LYS 37 H LYS 37 -0.141 -12.917 9.567 306 HA LYS 37 HA LYS 37 2.039 -14.611 9.721 307 HB2 LYS 37 2HB LYS 37 0.452 -13.982 11.578 308 HB3 LYS 37 3HB LYS 37 -0.729 -15.096 10.903 309 HG2 LYS 37 2HG LYS 37 0.353 -16.188 12.758 310 HG3 LYS 37 3HG LYS 37 0.902 -16.975 11.279 311 HD2 LYS 37 2HD LYS 37 2.800 -16.674 12.782 312 HD3 LYS 37 3HD LYS 37 3.011 -15.627 11.378 313 HE2 LYS 37 2HE LYS 37 2.193 -13.695 12.706 314 HE3 LYS 37 3HE LYS 37 1.982 -14.747 14.106 315 HZ1 LYS 37 3HZ LYS 37 4.397 -15.187 14.026 316 HZ2 LYS 37 1HZ LYS 37 4.032 -13.557 14.301 317 HZ3 LYS 37 2HZ LYS 37 4.547 -14.063 12.774 318 H ASP 38 H ASP 38 -1.137 -15.214 8.244 319 HA ASP 38 HA ASP 38 -0.037 -17.625 6.897 320 HB2 ASP 38 2HB ASP 38 -1.579 -18.280 8.810 321 HB3 ASP 38 3HB ASP 38 -2.898 -17.468 7.976 322 H GLU 39 H GLU 39 -0.325 -17.645 4.763 323 HA GLU 39 HA GLU 39 -1.112 -15.348 3.398 324 HB2 GLU 39 2HB GLU 39 -0.796 -16.838 1.263 325 HB3 GLU 39 3HB GLU 39 0.576 -16.466 2.292 326 HG2 GLU 39 2HG GLU 39 0.658 -18.767 1.559 327 HG3 GLU 39 3HG GLU 39 0.461 -18.681 3.302 328 H LYS 40 H LYS 40 -3.191 -18.183 4.007 329 HA LYS 40 HA LYS 40 -5.087 -17.345 1.942 330 HB2 LYS 40 2HB LYS 40 -6.412 -19.248 2.480 331 HB3 LYS 40 3HB LYS 40 -4.739 -19.767 2.600 332 HG2 LYS 40 2HG LYS 40 -4.935 -19.472 5.117 333 HG3 LYS 40 3HG LYS 40 -6.654 -19.197 4.877 334 HD2 LYS 40 2HD LYS 40 -6.206 -21.522 5.540 335 HD3 LYS 40 3HD LYS 40 -6.909 -21.448 3.921 336 HE2 LYS 40 2HE LYS 40 -5.053 -23.096 4.091 337 HE3 LYS 40 3HE LYS 40 -4.712 -21.831 2.912 338 HZ1 LYS 40 3HZ LYS 40 -3.666 -21.900 5.693 339 HZ2 LYS 40 1HZ LYS 40 -3.298 -20.738 4.524 340 HZ3 LYS 40 2HZ LYS 40 -2.797 -22.341 4.316 341 H ARG 41 H ARG 41 -4.776 -17.093 5.444 342 HA ARG 41 HA ARG 41 -7.176 -15.675 6.016 343 HB2 ARG 41 2HB ARG 41 -4.453 -15.818 7.385 344 HB3 ARG 41 3HB ARG 41 -5.759 -14.833 8.035 345 HG2 ARG 41 2HG ARG 41 -5.943 -17.826 7.569 346 HG3 ARG 41 3HG ARG 41 -5.558 -17.066 9.116 347 HD2 ARG 41 2HD ARG 41 -7.771 -15.876 9.032 348 HD3 ARG 41 3HD ARG 41 -8.156 -16.771 7.556 349 HE ARG 41 HE ARG 41 -7.589 -18.751 9.262 350 HH11 ARG 41 1HH1 ARG 41 -9.746 -15.983 9.612 351 HH12 ARG 41 2HH1 ARG 41 -10.819 -16.811 10.695 352 HH21 ARG 41 1HH2 ARG 41 -8.983 -19.801 10.692 353 HH22 ARG 41 2HH2 ARG 41 -10.382 -18.980 11.303 354 H LEU 42 H LEU 42 -3.942 -14.684 5.107 355 HA LEU 42 HA LEU 42 -4.043 -11.953 5.050 356 HB2 LEU 42 2HB LEU 42 -2.051 -13.346 4.737 357 HB3 LEU 42 3HB LEU 42 -2.668 -13.947 3.216 358 HG LEU 42 HG LEU 42 -2.253 -11.858 2.105 359 HD11 LEU 42 1HD1 LEU 42 -1.612 -10.697 4.814 360 HD12 LEU 42 2HD1 LEU 42 -3.031 -10.347 3.823 361 HD13 LEU 42 3HD1 LEU 42 -1.436 -9.887 3.261 362 HD21 LEU 42 3HD2 LEU 42 -0.261 -13.290 2.410 363 HD22 LEU 42 1HD2 LEU 42 0.114 -12.464 3.927 364 HD23 LEU 42 2HD2 LEU 42 0.176 -11.584 2.396 365 H GLU 43 H GLU 43 -5.137 -14.256 2.576 366 HA GLU 43 HA GLU 43 -5.622 -12.268 0.567 367 HB2 GLU 43 2HB GLU 43 -5.049 -14.660 0.062 368 HB3 GLU 43 3HB GLU 43 -6.666 -15.129 0.580 369 HG2 GLU 43 2HG GLU 43 -7.697 -13.944 -1.232 370 HG3 GLU 43 3HG GLU 43 -6.206 -13.094 -1.630 371 H GLU 44 H GLU 44 -7.479 -13.404 3.243 372 HA GLU 44 HA GLU 44 -10.100 -12.678 2.363 373 HB2 GLU 44 2HB GLU 44 -9.000 -12.725 5.210 374 HB3 GLU 44 3HB GLU 44 -10.701 -12.761 4.750 375 HG2 GLU 44 2HG GLU 44 -8.651 -14.919 4.184 376 HG3 GLU 44 3HG GLU 44 -9.895 -14.973 5.426 377 H LYS 45 H LYS 45 -7.648 -11.065 4.368 378 HA LYS 45 HA LYS 45 -8.840 -8.559 4.724 379 HB2 LYS 45 2HB LYS 45 -6.954 -9.241 6.098 380 HB3 LYS 45 3HB LYS 45 -5.922 -9.452 4.692 381 HG2 LYS 45 2HG LYS 45 -5.271 -7.441 5.888 382 HG3 LYS 45 3HG LYS 45 -5.931 -7.009 4.312 383 HD2 LYS 45 2HD LYS 45 -6.750 -5.434 5.937 384 HD3 LYS 45 3HD LYS 45 -8.105 -6.446 5.432 385 HE2 LYS 45 2HE LYS 45 -7.967 -7.731 7.494 386 HE3 LYS 45 3HE LYS 45 -6.493 -6.881 7.971 387 HZ1 LYS 45 3HZ LYS 45 -8.371 -5.954 9.113 388 HZ2 LYS 45 1HZ LYS 45 -9.184 -5.670 7.662 389 HZ3 LYS 45 2HZ LYS 45 -7.779 -4.817 8.018 390 H ILE 46 H ILE 46 -6.660 -9.766 2.207 391 HA ILE 46 HA ILE 46 -6.168 -7.475 0.717 392 HB ILE 46 HB ILE 46 -6.305 -10.413 -0.079 393 HG12 ILE 46 2HG1 ILE 46 -3.940 -8.520 0.342 394 HG13 ILE 46 3HG1 ILE 46 -4.486 -9.745 1.479 395 HG21 ILE 46 1HG2 ILE 46 -5.350 -8.163 -1.883 396 HG22 ILE 46 2HG2 ILE 46 -6.784 -9.160 -2.133 397 HG23 ILE 46 3HG2 ILE 46 -5.180 -9.888 -2.215 398 HD11 ILE 46 3HD1 ILE 46 -3.907 -11.483 -0.169 399 HD12 ILE 46 1HD1 ILE 46 -2.534 -10.502 0.340 400 HD13 ILE 46 2HD1 ILE 46 -3.274 -10.223 -1.234 401 H GLN 47 H GLN 47 -8.826 -9.861 0.327 402 HA GLN 47 HA GLN 47 -10.001 -8.536 -1.917 403 HB2 GLN 47 2HB GLN 47 -11.077 -10.704 -0.067 404 HB3 GLN 47 3HB GLN 47 -11.936 -10.126 -1.494 405 HG2 GLN 47 2HG GLN 47 -9.203 -11.447 -1.496 406 HG3 GLN 47 3HG GLN 47 -10.722 -12.221 -1.938 407 HE21 GLN 47 1HE2 GLN 47 -11.776 -9.971 -3.451 408 HE22 GLN 47 2HE2 GLN 47 -10.854 -9.890 -4.903 409 H LYS 48 H LYS 48 -10.455 -8.258 1.565 410 HA LYS 48 HA LYS 48 -12.895 -6.779 1.541 411 HB2 LYS 48 2HB LYS 48 -10.645 -6.918 3.591 412 HB3 LYS 48 3HB LYS 48 -12.143 -6.036 3.873 413 HG2 LYS 48 2HG LYS 48 -11.897 -9.019 3.375 414 HG3 LYS 48 3HG LYS 48 -12.188 -8.252 4.934 415 HD2 LYS 48 2HD LYS 48 -14.067 -8.126 2.539 416 HD3 LYS 48 3HD LYS 48 -14.261 -9.197 3.930 417 HE2 LYS 48 2HE LYS 48 -14.591 -7.302 5.415 418 HE3 LYS 48 3HE LYS 48 -14.210 -6.163 4.121 419 HZ1 LYS 48 3HZ LYS 48 -16.601 -6.368 4.496 420 HZ2 LYS 48 1HZ LYS 48 -16.531 -8.010 4.127 421 HZ3 LYS 48 2HZ LYS 48 -16.171 -6.865 2.947 422 H LEU 49 H LEU 49 -9.498 -5.806 1.352 423 HA LEU 49 HA LEU 49 -10.079 -2.972 1.317 424 HB2 LEU 49 2HB LEU 49 -7.536 -4.543 0.782 425 HB3 LEU 49 3HB LEU 49 -7.608 -2.789 0.794 426 HG LEU 49 HG LEU 49 -8.256 -4.542 3.202 427 HD11 LEU 49 1HD1 LEU 49 -5.896 -4.756 2.602 428 HD12 LEU 49 2HD1 LEU 49 -6.083 -3.858 4.105 429 HD13 LEU 49 3HD1 LEU 49 -5.708 -3.000 2.605 430 HD21 LEU 49 3HD2 LEU 49 -8.131 -2.446 4.482 431 HD22 LEU 49 1HD2 LEU 49 -9.403 -2.384 3.264 432 HD23 LEU 49 2HD2 LEU 49 -7.879 -1.534 2.989 433 H LYS 50 H LYS 50 -9.488 -5.496 -1.175 434 HA LYS 50 HA LYS 50 -9.289 -3.797 -3.432 435 HB2 LYS 50 2HB LYS 50 -10.218 -6.687 -3.150 436 HB3 LYS 50 3HB LYS 50 -10.093 -5.880 -4.711 437 HG2 LYS 50 2HG LYS 50 -7.690 -5.599 -4.446 438 HG3 LYS 50 3HG LYS 50 -7.762 -6.228 -2.799 439 HD2 LYS 50 2HD LYS 50 -6.923 -7.949 -4.353 440 HD3 LYS 50 3HD LYS 50 -8.463 -8.438 -3.646 441 HE2 LYS 50 2HE LYS 50 -9.622 -7.750 -5.727 442 HE3 LYS 50 3HE LYS 50 -8.070 -7.283 -6.428 443 HZ1 LYS 50 3HZ LYS 50 -8.865 -10.023 -5.599 444 HZ2 LYS 50 1HZ LYS 50 -7.337 -9.591 -6.173 445 HZ3 LYS 50 2HZ LYS 50 -8.681 -9.461 -7.183 446 H SER 51 H SER 51 -12.052 -5.217 -1.746 447 HA SER 51 HA SER 51 -14.134 -4.404 -3.421 448 HB2 SER 51 2HB SER 51 -14.323 -5.999 -1.500 449 HB3 SER 51 3HB SER 51 -14.186 -4.643 -0.379 450 HG SER 51 HG SER 51 -16.255 -4.402 -0.620 451 H GLN 52 H GLN 52 -12.270 -2.597 -1.055 452 HA GLN 52 HA GLN 52 -13.898 -0.173 -1.200 453 HB2 GLN 52 2HB GLN 52 -11.223 -0.728 0.146 454 HB3 GLN 52 3HB GLN 52 -12.128 0.776 0.298 455 HG2 GLN 52 2HG GLN 52 -13.971 -0.420 1.400 456 HG3 GLN 52 3HG GLN 52 -13.106 -1.947 1.212 457 HE21 GLN 52 1HE2 GLN 52 -11.317 -2.351 2.523 458 HE22 GLN 52 2HE2 GLN 52 -10.950 -1.405 3.921 459 H GLY 53 H GLY 53 -11.796 -1.527 -3.351 460 HA2 GLY 53 2HA GLY 53 -11.170 -0.664 -5.400 461 HA3 GLY 53 3HA GLY 53 -11.572 0.952 -4.843 462 H PHE 54 H PHE 54 -9.338 -1.377 -3.367 463 HA PHE 54 HA PHE 54 -7.024 0.392 -4.003 464 HB2 PHE 54 2HB PHE 54 -7.415 -1.546 -1.673 465 HB3 PHE 54 3HB PHE 54 -5.913 -0.693 -2.012 466 HD1 PHE 54 HD2 PHE 54 -5.858 1.831 -1.832 467 HD2 PHE 54 HD1 PHE 54 -9.178 -0.475 -0.433 468 HE1 PHE 54 HE2 PHE 54 -6.613 3.717 -0.453 469 HE2 PHE 54 HE1 PHE 54 -9.918 1.427 0.943 470 HZ PHE 54 HZ PHE 54 -8.638 3.516 0.932 471 H GLU 55 H GLU 55 -5.236 -0.524 -4.967 472 HA GLU 55 HA GLU 55 -5.464 -3.132 -6.214 473 HB2 GLU 55 2HB GLU 55 -4.476 -1.314 -7.488 474 HB3 GLU 55 3HB GLU 55 -3.285 -0.996 -6.237 475 HG2 GLU 55 2HG GLU 55 -2.246 -2.089 -8.153 476 HG3 GLU 55 3HG GLU 55 -2.171 -3.139 -6.741 477 H VAL 56 H VAL 56 -5.551 -4.525 -4.369 478 HA VAL 56 HA VAL 56 -3.293 -4.472 -2.461 479 HB VAL 56 HB VAL 56 -5.846 -6.086 -2.073 480 HG11 VAL 56 1HG1 VAL 56 -3.966 -6.668 -0.590 481 HG12 VAL 56 2HG1 VAL 56 -5.255 -5.892 0.329 482 HG13 VAL 56 3HG1 VAL 56 -3.806 -4.979 -0.094 483 HG21 VAL 56 3HG2 VAL 56 -5.391 -3.225 -1.180 484 HG22 VAL 56 1HG2 VAL 56 -6.791 -4.231 -0.831 485 HG23 VAL 56 2HG2 VAL 56 -6.466 -3.734 -2.485 486 H ARG 57 H ARG 57 -2.046 -6.253 -2.080 487 HA ARG 57 HA ARG 57 -2.186 -8.458 -4.049 488 HB2 ARG 57 2HB ARG 57 0.206 -6.655 -3.519 489 HB3 ARG 57 3HB ARG 57 0.250 -8.103 -4.513 490 HG2 ARG 57 2HG ARG 57 -1.553 -5.757 -5.145 491 HG3 ARG 57 3HG ARG 57 0.103 -5.872 -5.718 492 HD2 ARG 57 2HD ARG 57 -1.192 -6.661 -7.502 493 HD3 ARG 57 3HD ARG 57 -0.570 -8.129 -6.750 494 HE ARG 57 HE ARG 57 -3.022 -7.674 -5.595 495 HH11 ARG 57 1HH1 ARG 57 -1.887 -8.207 -8.870 496 HH12 ARG 57 2HH1 ARG 57 -3.375 -8.929 -9.402 497 HH21 ARG 57 1HH2 ARG 57 -4.976 -8.563 -6.293 498 HH22 ARG 57 2HH2 ARG 57 -5.133 -9.128 -7.927 499 H LYS 58 H LYS 58 -0.760 -10.195 -3.637 500 HA LYS 58 HA LYS 58 -0.352 -10.878 -0.822 501 HB2 LYS 58 2HB LYS 58 -1.534 -12.408 -2.490 502 HB3 LYS 58 3HB LYS 58 -0.028 -12.527 -3.384 503 HG2 LYS 58 2HG LYS 58 -0.183 -14.517 -2.102 504 HG3 LYS 58 3HG LYS 58 1.016 -13.519 -1.278 505 HD2 LYS 58 2HD LYS 58 -0.468 -14.577 0.337 506 HD3 LYS 58 3HD LYS 58 -0.690 -12.829 0.362 507 HE2 LYS 58 2HE LYS 58 -2.853 -13.922 0.517 508 HE3 LYS 58 3HE LYS 58 -2.743 -13.108 -1.043 509 HZ1 LYS 58 3HZ LYS 58 -2.407 -16.005 -0.514 510 HZ2 LYS 58 1HZ LYS 58 -2.137 -15.274 -2.009 511 HZ3 LYS 58 2HZ LYS 58 -3.682 -15.267 -1.334 512 H VAL 59 H VAL 59 1.654 -10.382 -0.009 513 HA VAL 59 HA VAL 59 4.064 -10.798 -1.692 514 HB VAL 59 HB VAL 59 5.189 -8.890 -0.516 515 HG11 VAL 59 1HG1 VAL 59 4.280 -8.550 -2.767 516 HG12 VAL 59 2HG1 VAL 59 4.157 -7.068 -1.818 517 HG13 VAL 59 3HG1 VAL 59 2.721 -8.063 -2.091 518 HG21 VAL 59 3HG2 VAL 59 3.843 -7.204 0.712 519 HG22 VAL 59 1HG2 VAL 59 3.796 -8.781 1.505 520 HG23 VAL 59 2HG2 VAL 59 2.415 -8.230 0.555 521 H LYS 60 H LYS 60 6.029 -11.165 -0.371 522 HA LYS 60 HA LYS 60 5.484 -13.005 1.838 523 HB2 LYS 60 2HB LYS 60 8.189 -12.283 0.600 524 HB3 LYS 60 3HB LYS 60 7.844 -13.649 1.657 525 HG2 LYS 60 2HG LYS 60 6.834 -13.257 -1.168 526 HG3 LYS 60 3HG LYS 60 8.091 -14.382 -0.645 527 HD2 LYS 60 2HD LYS 60 6.368 -15.578 0.745 528 HD3 LYS 60 3HD LYS 60 5.136 -14.490 0.094 529 HE2 LYS 60 2HE LYS 60 6.806 -16.496 -1.459 530 HE3 LYS 60 3HE LYS 60 5.068 -16.566 -1.151 531 HZ1 LYS 60 3HZ LYS 60 5.315 -15.760 -3.324 532 HZ2 LYS 60 1HZ LYS 60 6.534 -14.675 -2.891 533 HZ3 LYS 60 2HZ LYS 60 4.950 -14.408 -2.400 534 H ASP 61 H ASP 61 7.807 -10.399 1.285 535 HA ASP 61 HA ASP 61 7.460 -9.174 3.881 536 HB2 ASP 61 2HB ASP 61 9.636 -9.648 4.788 537 HB3 ASP 61 3HB ASP 61 9.021 -11.211 4.255 538 H ASP 62 H ASP 62 9.872 -7.713 3.880 539 HA ASP 62 HA ASP 62 9.100 -5.685 1.999 540 HB2 ASP 62 2HB ASP 62 9.789 -5.062 4.251 541 HB3 ASP 62 3HB ASP 62 11.386 -5.755 4.008 542 H ASP 63 H ASP 63 11.431 -8.227 1.933 543 HA ASP 63 HA ASP 63 13.139 -7.160 -0.114 544 HB2 ASP 63 2HB ASP 63 13.894 -9.025 1.377 545 HB3 ASP 63 3HB ASP 63 12.717 -10.101 0.628 546 H ASP 64 H ASP 64 10.381 -9.470 -0.135 547 HA ASP 64 HA ASP 64 10.152 -9.759 -2.946 548 HB2 ASP 64 2HB ASP 64 9.027 -11.242 -1.235 549 HB3 ASP 64 3HB ASP 64 7.899 -9.932 -0.884 550 H ILE 65 H ILE 65 8.918 -7.477 -0.689 551 HA ILE 65 HA ILE 65 7.197 -5.902 -2.350 552 HB ILE 65 HB ILE 65 8.575 -5.362 0.310 553 HG12 ILE 65 2HG1 ILE 65 5.605 -5.718 -0.315 554 HG13 ILE 65 3HG1 ILE 65 6.666 -7.032 0.169 555 HG21 ILE 65 1HG2 ILE 65 6.672 -3.438 -1.063 556 HG22 ILE 65 2HG2 ILE 65 8.383 -3.166 -0.732 557 HG23 ILE 65 3HG2 ILE 65 7.240 -3.309 0.603 558 HD11 ILE 65 3HD1 ILE 65 5.307 -6.219 2.010 559 HD12 ILE 65 1HD1 ILE 65 6.025 -4.619 1.847 560 HD13 ILE 65 2HD1 ILE 65 7.027 -5.988 2.322 561 H ASP 66 H ASP 66 10.658 -5.677 -1.517 562 HA ASP 66 HA ASP 66 11.345 -3.347 -2.899 563 HB2 ASP 66 2HB ASP 66 12.949 -4.279 -1.396 564 HB3 ASP 66 3HB ASP 66 12.903 -5.851 -2.176 565 H LYS 67 H LYS 67 11.278 -6.721 -4.060 566 HA LYS 67 HA LYS 67 12.033 -6.152 -6.765 567 HB2 LYS 67 2HB LYS 67 10.766 -8.549 -5.401 568 HB3 LYS 67 3HB LYS 67 10.853 -8.499 -7.156 569 HG2 LYS 67 2HG LYS 67 12.701 -9.803 -6.250 570 HG3 LYS 67 3HG LYS 67 13.315 -8.353 -7.051 571 HD2 LYS 67 2HD LYS 67 13.601 -7.262 -4.847 572 HD3 LYS 67 3HD LYS 67 12.964 -8.698 -4.047 573 HE2 LYS 67 2HE LYS 67 14.882 -10.007 -4.788 574 HE3 LYS 67 3HE LYS 67 15.493 -8.635 -5.722 575 HZ1 LYS 67 3HZ LYS 67 15.718 -7.388 -3.652 576 HZ2 LYS 67 1HZ LYS 67 16.631 -8.813 -3.612 577 HZ3 LYS 67 2HZ LYS 67 15.168 -8.724 -2.770 578 H TRP 68 H TRP 68 9.016 -6.181 -5.019 579 HA TRP 68 HA TRP 68 7.228 -6.252 -7.204 580 HB2 TRP 68 2HB TRP 68 6.763 -6.720 -4.657 581 HB3 TRP 68 3HB TRP 68 6.523 -4.980 -4.518 582 HD1 TRP 68 HD1 TRP 68 4.855 -8.145 -5.706 583 HE1 TRP 68 HE1 TRP 68 2.510 -7.608 -6.623 584 HE3 TRP 68 HE3 TRP 68 5.091 -3.031 -5.674 585 HZ2 TRP 68 HZ2 TRP 68 0.973 -5.336 -7.253 586 HZ3 TRP 68 HZ3 TRP 68 3.134 -1.751 -6.431 587 HH2 TRP 68 HH2 TRP 68 1.110 -2.889 -7.203 588 H ILE 69 H ILE 69 8.639 -3.531 -5.344 589 HA ILE 69 HA ILE 69 7.235 -1.496 -6.831 590 HB ILE 69 HB ILE 69 9.349 -1.476 -4.656 591 HG12 ILE 69 2HG1 ILE 69 7.656 0.050 -3.549 592 HG13 ILE 69 3HG1 ILE 69 6.612 -0.145 -4.945 593 HG21 ILE 69 1HG2 ILE 69 8.663 1.012 -6.270 594 HG22 ILE 69 2HG2 ILE 69 10.242 0.228 -6.174 595 HG23 ILE 69 3HG2 ILE 69 9.554 0.999 -4.744 596 HD11 ILE 69 3HD1 ILE 69 6.427 -2.543 -4.435 597 HD12 ILE 69 1HD1 ILE 69 5.881 -1.515 -3.110 598 HD13 ILE 69 2HD1 ILE 69 7.454 -2.300 -3.020 599 H ASP 70 H ASP 70 10.343 -3.111 -7.020 600 HA ASP 70 HA ASP 70 11.773 -1.472 -8.759 601 HB2 ASP 70 2HB ASP 70 12.887 -3.318 -7.661 602 HB3 ASP 70 3HB ASP 70 11.798 -4.496 -8.391 603 H LYS 71 H LYS 71 9.640 -4.243 -9.579 604 HA LYS 71 HA LYS 71 9.895 -4.040 -12.388 605 HB2 LYS 71 2HB LYS 71 7.826 -5.448 -12.515 606 HB3 LYS 71 3HB LYS 71 9.063 -6.110 -11.454 607 HG2 LYS 71 2HG LYS 71 7.806 -5.843 -9.547 608 HG3 LYS 71 3HG LYS 71 6.992 -4.400 -10.137 609 HD2 LYS 71 2HD LYS 71 6.363 -7.208 -11.128 610 HD3 LYS 71 3HD LYS 71 5.499 -6.400 -9.817 611 HE2 LYS 71 2HE LYS 71 4.827 -4.589 -11.368 612 HE3 LYS 71 3HE LYS 71 5.690 -5.400 -12.678 613 HZ1 LYS 71 3HZ LYS 71 4.201 -7.309 -12.390 614 HZ2 LYS 71 1HZ LYS 71 3.353 -5.898 -12.785 615 HZ3 LYS 71 2HZ LYS 71 3.351 -6.466 -11.194 616 H ILE 72 H ILE 72 7.614 -2.542 -10.117 617 HA ILE 72 HA ILE 72 5.760 -1.465 -11.950 618 HB ILE 72 HB ILE 72 6.573 -0.552 -9.150 619 HG12 ILE 72 2HG1 ILE 72 5.441 -2.772 -9.305 620 HG13 ILE 72 3HG1 ILE 72 4.492 -1.602 -8.404 621 HG21 ILE 72 1HG2 ILE 72 4.529 0.844 -9.068 622 HG22 ILE 72 2HG2 ILE 72 4.237 0.520 -10.775 623 HG23 ILE 72 3HG2 ILE 72 5.671 1.422 -10.285 624 HD11 ILE 72 3HD1 ILE 72 3.032 -1.294 -10.351 625 HD12 ILE 72 1HD1 ILE 72 3.089 -2.969 -9.806 626 HD13 ILE 72 2HD1 ILE 72 3.982 -2.485 -11.247 627 H LYS 73 H LYS 73 8.744 -0.097 -10.561 628 HA LYS 73 HA LYS 73 8.533 2.459 -11.747 629 HB2 LYS 73 2HB LYS 73 10.837 0.900 -10.545 630 HB3 LYS 73 3HB LYS 73 11.095 2.498 -11.228 631 HG2 LYS 73 2HG LYS 73 8.968 2.127 -9.115 632 HG3 LYS 73 3HG LYS 73 10.662 2.181 -8.643 633 HD2 LYS 73 2HD LYS 73 9.707 4.397 -8.399 634 HD3 LYS 73 3HD LYS 73 10.878 4.426 -9.713 635 HE2 LYS 73 2HE LYS 73 9.011 4.340 -11.347 636 HE3 LYS 73 3HE LYS 73 7.856 4.329 -10.015 637 HZ1 LYS 73 3HZ LYS 73 8.087 6.541 -10.892 638 HZ2 LYS 73 1HZ LYS 73 9.760 6.515 -10.665 639 HZ3 LYS 73 2HZ LYS 73 8.725 6.500 -9.333 640 H LYS 74 H LYS 74 9.899 -0.569 -12.913 641 HA LYS 74 HA LYS 74 11.317 0.538 -15.166 642 HB2 LYS 74 2HB LYS 74 10.478 -2.317 -14.488 643 HB3 LYS 74 3HB LYS 74 11.586 -1.884 -15.791 644 HG2 LYS 74 2HG LYS 74 13.251 -1.111 -14.244 645 HG3 LYS 74 3HG LYS 74 12.110 -1.166 -12.898 646 HD2 LYS 74 2HD LYS 74 13.670 -3.045 -12.749 647 HD3 LYS 74 3HD LYS 74 12.034 -3.631 -13.044 648 HE2 LYS 74 2HE LYS 74 12.595 -3.948 -15.435 649 HE3 LYS 74 3HE LYS 74 14.235 -3.373 -15.119 650 HZ1 LYS 74 3HZ LYS 74 13.000 -5.765 -13.861 651 HZ2 LYS 74 1HZ LYS 74 14.582 -5.227 -13.634 652 HZ3 LYS 74 2HZ LYS 74 14.096 -5.801 -15.143 653 H GLU 75 H GLU 75 8.183 -1.031 -14.677 654 HA GLU 75 HA GLU 75 7.535 -1.247 -17.499 655 HB2 GLU 75 2HB GLU 75 5.986 -1.867 -14.950 656 HB3 GLU 75 3HB GLU 75 5.324 -2.120 -16.565 657 HG2 GLU 75 2HG GLU 75 7.123 -3.722 -17.072 658 HG3 GLU 75 3HG GLU 75 7.840 -3.423 -15.487 659 H ARG 76 H ARG 76 6.368 0.644 -14.734 660 HA ARG 76 HA ARG 76 5.158 2.599 -16.578 661 HB2 ARG 76 2HB ARG 76 3.384 3.006 -14.818 662 HB3 ARG 76 3HB ARG 76 3.285 1.469 -15.661 663 HG2 ARG 76 2HG ARG 76 4.339 0.358 -13.684 664 HG3 ARG 76 3HG ARG 76 4.298 1.903 -12.829 665 HD2 ARG 76 2HD ARG 76 2.406 0.460 -12.191 666 HD3 ARG 76 3HD ARG 76 1.837 1.932 -12.990 667 HE ARG 76 HE ARG 76 2.102 0.041 -14.986 668 HH11 ARG 76 1HH1 ARG 76 0.164 0.305 -12.070 669 HH12 ARG 76 2HH1 ARG 76 -1.133 -0.648 -12.713 670 HH21 ARG 76 1HH2 ARG 76 0.404 -1.186 -15.813 671 HH22 ARG 76 2HH2 ARG 76 -0.999 -1.494 -14.836 672 HA PRO 77 HA PRO 77 7.972 5.212 -14.058 673 HB2 PRO 77 2HB PRO 77 8.975 6.656 -16.115 674 HB3 PRO 77 3HB PRO 77 9.592 5.024 -15.780 675 HG2 PRO 77 2HG PRO 77 7.614 5.895 -17.863 676 HG3 PRO 77 3HG PRO 77 8.988 4.775 -18.012 677 HD2 PRO 77 2HD PRO 77 6.383 3.931 -17.643 678 HD3 PRO 77 3HD PRO 77 7.806 2.990 -17.140 679 H GLN 78 H GLN 78 8.044 7.852 -14.680 680 HA GLN 78 HA GLN 78 7.027 9.844 -14.713 681 HB2 GLN 78 2HB GLN 78 4.616 8.495 -15.993 682 HB3 GLN 78 3HB GLN 78 4.939 10.229 -15.938 683 HG2 GLN 78 2HG GLN 78 6.895 9.952 -17.375 684 HG3 GLN 78 3HG GLN 78 6.688 8.199 -17.366 685 HE21 GLN 78 1HE2 GLN 78 5.515 11.202 -18.603 686 HE22 GLN 78 2HE2 GLN 78 4.467 10.551 -19.817 687 H LEU 79 H LEU 79 5.380 7.194 -13.182 688 HA LEU 79 HA LEU 79 4.025 9.007 -11.311 689 HB2 LEU 79 2HB LEU 79 2.753 6.921 -10.605 690 HB3 LEU 79 3HB LEU 79 2.401 7.544 -12.199 691 HG LEU 79 HG LEU 79 4.066 5.660 -13.037 692 HD11 LEU 79 1HD1 LEU 79 4.063 3.594 -11.708 693 HD12 LEU 79 2HD1 LEU 79 3.280 4.441 -10.373 694 HD13 LEU 79 3HD1 LEU 79 4.906 4.899 -10.873 695 HD21 LEU 79 3HD2 LEU 79 2.204 4.072 -13.278 696 HD22 LEU 79 1HD2 LEU 79 1.696 5.727 -13.613 697 HD23 LEU 79 2HD2 LEU 79 1.268 4.967 -12.076 698 H GLU 80 H GLU 80 4.794 9.114 -9.244 699 HA GLU 80 HA GLU 80 7.254 7.671 -8.643 700 HB2 GLU 80 2HB GLU 80 5.784 9.825 -7.078 701 HB3 GLU 80 3HB GLU 80 7.353 9.155 -6.638 702 HG2 GLU 80 2HG GLU 80 6.688 10.781 -9.113 703 HG3 GLU 80 3HG GLU 80 7.682 11.285 -7.748 704 H VAL 81 H VAL 81 7.568 6.325 -6.920 705 HA VAL 81 HA VAL 81 5.155 5.042 -5.785 706 HB VAL 81 HB VAL 81 7.833 3.690 -6.432 707 HG11 VAL 81 1HG1 VAL 81 5.162 2.509 -5.570 708 HG12 VAL 81 2HG1 VAL 81 6.613 2.649 -4.572 709 HG13 VAL 81 3HG1 VAL 81 6.614 1.593 -5.983 710 HG21 VAL 81 3HG2 VAL 81 5.232 3.487 -8.009 711 HG22 VAL 81 1HG2 VAL 81 6.718 2.591 -8.329 712 HG23 VAL 81 2HG2 VAL 81 6.682 4.343 -8.530 713 H ARG 82 H ARG 82 5.055 5.143 -3.642 714 HA ARG 82 HA ARG 82 7.501 5.547 -2.008 715 HB2 ARG 82 2HB ARG 82 6.337 7.613 -1.945 716 HB3 ARG 82 3HB ARG 82 4.763 6.851 -1.880 717 HG2 ARG 82 2HG ARG 82 5.566 8.092 0.194 718 HG3 ARG 82 3HG ARG 82 4.893 6.488 0.442 719 HD2 ARG 82 2HD ARG 82 7.030 7.175 1.742 720 HD3 ARG 82 3HD ARG 82 6.956 5.569 1.024 721 HE ARG 82 HE ARG 82 8.252 7.608 -0.602 722 HH11 ARG 82 1HH1 ARG 82 8.732 5.099 1.821 723 HH12 ARG 82 2HH1 ARG 82 10.407 4.881 1.436 724 HH21 ARG 82 1HH2 ARG 82 10.453 7.218 -1.161 725 HH22 ARG 82 2HH2 ARG 82 11.372 6.073 -0.243 726 H LYS 83 H LYS 83 7.915 3.646 -1.083 727 HA LYS 83 HA LYS 83 5.934 1.759 -0.203 728 HB2 LYS 83 2HB LYS 83 8.873 1.944 0.603 729 HB3 LYS 83 3HB LYS 83 7.799 0.583 0.917 730 HG2 LYS 83 2HG LYS 83 7.574 0.474 -1.690 731 HG3 LYS 83 3HG LYS 83 9.033 1.468 -1.688 732 HD2 LYS 83 2HD LYS 83 8.704 -1.310 -0.485 733 HD3 LYS 83 3HD LYS 83 9.692 -0.864 -1.876 734 HE2 LYS 83 2HE LYS 83 11.201 0.417 -0.434 735 HE3 LYS 83 3HE LYS 83 10.179 0.090 0.973 736 HZ1 LYS 83 3HZ LYS 83 10.656 -2.278 0.715 737 HZ2 LYS 83 1HZ LYS 83 12.080 -1.390 0.906 738 HZ3 LYS 83 2HZ LYS 83 11.639 -1.950 -0.619 739 H VAL 84 H VAL 84 4.834 1.855 1.631 740 HA VAL 84 HA VAL 84 5.740 3.572 3.883 741 HB VAL 84 HB VAL 84 2.896 2.752 3.099 742 HG11 VAL 84 1HG1 VAL 84 3.811 4.597 5.335 743 HG12 VAL 84 2HG1 VAL 84 3.137 2.977 5.531 744 HG13 VAL 84 3HG1 VAL 84 2.137 4.270 4.877 745 HG21 VAL 84 3HG2 VAL 84 2.534 5.115 2.503 746 HG22 VAL 84 1HG2 VAL 84 3.823 4.402 1.528 747 HG23 VAL 84 2HG2 VAL 84 4.224 5.481 2.868 748 H THR 85 H THR 85 6.970 1.892 4.846 749 HA THR 85 HA THR 85 5.812 -0.728 5.268 750 HB THR 85 HB THR 85 7.981 -1.158 6.567 751 HG1 THR 85 HG1 THR 85 9.391 0.411 6.789 752 HG21 THR 85 3HG2 THR 85 8.241 -0.192 3.688 753 HG22 THR 85 1HG2 THR 85 7.745 -1.809 4.193 754 HG23 THR 85 2HG2 THR 85 9.385 -1.244 4.527 755 H ASP 86 H ASP 86 6.371 2.174 7.167 756 HA ASP 86 HA ASP 86 5.034 0.899 9.495 757 HB2 ASP 86 2HB ASP 86 7.458 1.517 9.850 758 HB3 ASP 86 3HB ASP 86 7.023 3.208 9.605 759 H GLU 87 H GLU 87 3.578 2.169 10.696 760 HA GLU 87 HA GLU 87 1.696 3.668 9.341 761 HB2 GLU 87 2HB GLU 87 1.309 2.496 11.492 762 HB3 GLU 87 3HB GLU 87 2.304 3.681 12.331 763 HG2 GLU 87 2HG GLU 87 0.646 5.460 11.571 764 HG3 GLU 87 3HG GLU 87 -0.394 4.157 10.991 765 H ASP 88 H ASP 88 4.469 4.788 11.267 766 HA ASP 88 HA ASP 88 4.029 7.496 11.514 767 HB2 ASP 88 2HB ASP 88 5.891 6.318 12.605 768 HB3 ASP 88 3HB ASP 88 6.670 6.036 11.055 769 H GLN 89 H GLN 89 5.282 5.747 8.727 770 HA GLN 89 HA GLN 89 5.982 8.010 7.121 771 HB2 GLN 89 2HB GLN 89 5.360 5.161 6.215 772 HB3 GLN 89 3HB GLN 89 6.221 6.388 5.288 773 HG2 GLN 89 2HG GLN 89 8.081 6.341 6.873 774 HG3 GLN 89 3HG GLN 89 7.199 5.215 7.907 775 HE21 GLN 89 1HE2 GLN 89 8.764 3.640 7.777 776 HE22 GLN 89 2HE2 GLN 89 9.089 2.738 6.343 777 H ALA 90 H ALA 90 3.133 5.918 7.407 778 HA ALA 90 HA ALA 90 1.643 6.852 5.198 779 HB1 ALA 90 3HB ALA 90 1.099 4.748 6.360 780 HB2 ALA 90 1HB ALA 90 -0.308 5.805 6.296 781 HB3 ALA 90 2HB ALA 90 0.609 5.647 7.796 782 H LYS 91 H LYS 91 1.886 7.963 8.530 783 HA LYS 91 HA LYS 91 -0.219 9.918 8.367 784 HB2 LYS 91 2HB LYS 91 1.997 9.612 10.446 785 HB3 LYS 91 3HB LYS 91 0.534 10.582 10.625 786 HG2 LYS 91 2HG LYS 91 -0.836 8.488 10.455 787 HG3 LYS 91 3HG LYS 91 0.657 7.557 10.358 788 HD2 LYS 91 2HD LYS 91 -0.146 7.425 12.631 789 HD3 LYS 91 3HD LYS 91 1.294 8.445 12.632 790 HE2 LYS 91 2HE LYS 91 -0.112 10.458 12.717 791 HE3 LYS 91 3HE LYS 91 -1.568 9.461 12.638 792 HZ1 LYS 91 3HZ LYS 91 -0.953 8.466 14.745 793 HZ2 LYS 91 1HZ LYS 91 -1.094 10.139 14.887 794 HZ3 LYS 91 2HZ LYS 91 0.432 9.424 14.832 795 H GLN 92 H GLN 92 3.312 9.933 7.961 796 HA GLN 92 HA GLN 92 3.631 12.775 8.032 797 HB2 GLN 92 2HB GLN 92 5.515 11.218 8.517 798 HB3 GLN 92 3HB GLN 92 5.491 10.662 6.848 799 HG2 GLN 92 2HG GLN 92 7.315 12.278 7.245 800 HG3 GLN 92 3HG GLN 92 6.162 12.890 6.058 801 HE21 GLN 92 1HE2 GLN 92 4.852 14.689 6.623 802 HE22 GLN 92 2HE2 GLN 92 5.165 15.664 8.013 803 H ILE 93 H ILE 93 3.410 10.399 5.365 804 HA ILE 93 HA ILE 93 3.714 12.250 3.286 805 HB ILE 93 HB ILE 93 2.852 10.562 1.734 806 HG12 ILE 93 2HG1 ILE 93 2.137 8.963 4.236 807 HG13 ILE 93 3HG1 ILE 93 0.998 9.652 3.085 808 HG21 ILE 93 1HG2 ILE 93 4.731 9.389 3.826 809 HG22 ILE 93 2HG2 ILE 93 5.200 10.421 2.473 810 HG23 ILE 93 3HG2 ILE 93 4.546 8.812 2.167 811 HD11 ILE 93 3HD1 ILE 93 1.804 8.148 1.360 812 HD12 ILE 93 1HD1 ILE 93 1.263 7.266 2.785 813 HD13 ILE 93 2HD1 ILE 93 2.987 7.468 2.483 814 H LEU 94 H LEU 94 0.805 11.401 5.099 815 HA LEU 94 HA LEU 94 -1.154 12.620 3.542 816 HB2 LEU 94 2HB LEU 94 -0.844 12.652 6.573 817 HB3 LEU 94 3HB LEU 94 -2.310 13.166 5.751 818 HG LEU 94 HG LEU 94 -1.145 10.361 5.618 819 HD11 LEU 94 1HD1 LEU 94 -3.510 11.360 7.224 820 HD12 LEU 94 2HD1 LEU 94 -1.939 10.875 7.867 821 HD13 LEU 94 3HD1 LEU 94 -2.972 9.684 7.084 822 HD21 LEU 94 3HD2 LEU 94 -2.407 10.903 3.603 823 HD22 LEU 94 1HD2 LEU 94 -3.788 11.429 4.573 824 HD23 LEU 94 2HD2 LEU 94 -3.290 9.735 4.580 825 H GLU 95 H GLU 95 1.182 14.110 5.726 826 HA GLU 95 HA GLU 95 0.362 16.851 5.364 827 HB2 GLU 95 2HB GLU 95 2.948 15.637 6.442 828 HB3 GLU 95 3HB GLU 95 2.509 17.339 6.570 829 HG2 GLU 95 2HG GLU 95 0.673 16.840 8.055 830 HG3 GLU 95 3HG GLU 95 0.835 15.108 7.757 831 H ASP 96 H ASP 96 2.627 14.670 3.920 832 HA ASP 96 HA ASP 96 4.407 16.567 2.692 833 HB2 ASP 96 2HB ASP 96 5.196 14.328 3.244 834 HB3 ASP 96 3HB ASP 96 3.980 13.603 2.195 835 H LEU 97 H LEU 97 1.606 14.749 1.552 836 HA LEU 97 HA LEU 97 1.810 15.544 -1.210 837 HB2 LEU 97 2HB LEU 97 -0.252 14.036 0.422 838 HB3 LEU 97 3HB LEU 97 -0.657 14.589 -1.192 839 HG LEU 97 HG LEU 97 1.085 13.173 -2.191 840 HD11 LEU 97 1HD1 LEU 97 2.450 11.616 -0.937 841 HD12 LEU 97 2HD1 LEU 97 1.777 12.211 0.586 842 HD13 LEU 97 3HD1 LEU 97 2.782 13.270 -0.411 843 HD21 LEU 97 3HD2 LEU 97 0.174 10.961 -1.680 844 HD22 LEU 97 1HD2 LEU 97 -1.111 12.161 -1.798 845 HD23 LEU 97 2HD2 LEU 97 -0.584 11.589 -0.214 846 H LYS 98 H LYS 98 0.450 16.920 1.657 847 HA LYS 98 HA LYS 98 -1.170 18.945 0.348 848 HB2 LYS 98 2HB LYS 98 -0.049 18.874 3.196 849 HB3 LYS 98 3HB LYS 98 -1.226 20.038 2.600 850 HG2 LYS 98 2HG LYS 98 -1.663 17.055 2.901 851 HG3 LYS 98 3HG LYS 98 -2.289 18.316 3.964 852 HD2 LYS 98 2HD LYS 98 -3.539 19.246 1.951 853 HD3 LYS 98 3HD LYS 98 -3.052 17.795 1.065 854 HE2 LYS 98 2HE LYS 98 -4.754 17.880 3.585 855 HE3 LYS 98 3HE LYS 98 -5.319 17.542 1.948 856 HZ1 LYS 98 3HZ LYS 98 -3.401 15.876 3.478 857 HZ2 LYS 98 1HZ LYS 98 -3.976 15.561 1.926 858 HZ3 LYS 98 2HZ LYS 98 -5.037 15.524 3.232 859 H LYS 99 H LYS 99 2.045 18.656 1.739 860 HA LYS 99 HA LYS 99 2.933 21.329 1.467 861 HB2 LYS 99 2HB LYS 99 4.487 18.716 1.753 862 HB3 LYS 99 3HB LYS 99 5.257 20.302 1.740 863 HG2 LYS 99 2HG LYS 99 4.042 20.946 3.779 864 HG3 LYS 99 3HG LYS 99 3.208 19.388 3.781 865 HD2 LYS 99 2HD LYS 99 5.083 19.358 5.379 866 HD3 LYS 99 3HD LYS 99 5.364 18.212 4.065 867 HE2 LYS 99 2HE LYS 99 6.850 19.875 2.960 868 HE3 LYS 99 3HE LYS 99 6.591 20.982 4.310 869 HZ1 LYS 99 3HZ LYS 99 7.890 18.320 4.437 870 HZ2 LYS 99 1HZ LYS 99 7.555 19.295 5.775 871 HZ3 LYS 99 2HZ LYS 99 8.640 19.825 4.596 872 H LYS 100 H LYS 100 2.921 18.602 -0.743 873 HA LYS 100 HA LYS 100 3.785 18.134 -2.776 874 HB2 LYS 100 2HB LYS 100 2.611 20.259 -3.431 875 HB3 LYS 100 3HB LYS 100 4.071 21.161 -3.091 876 HG2 LYS 100 2HG LYS 100 3.850 20.977 -5.462 877 HG3 LYS 100 3HG LYS 100 5.199 19.952 -4.986 878 HD2 LYS 100 2HD LYS 100 2.430 18.774 -5.370 879 HD3 LYS 100 3HD LYS 100 3.461 19.088 -6.762 880 HE2 LYS 100 2HE LYS 100 5.155 17.557 -5.910 881 HE3 LYS 100 3HE LYS 100 4.241 17.319 -4.419 882 HZ1 LYS 100 3HZ LYS 100 3.868 15.486 -5.900 883 HZ2 LYS 100 1HZ LYS 100 3.395 16.513 -7.155 884 HZ3 LYS 100 2HZ LYS 100 2.431 16.360 -5.773 885 H GLY 101 H GLY 101 5.496 18.490 -0.328 886 HA2 GLY 101 2HA GLY 101 8.132 19.345 -1.319 887 HA3 GLY 101 3HA GLY 101 7.698 18.964 0.340 888 H SER 102 H SER 102 6.870 16.835 -2.295 889 HA SER 102 HA SER 102 7.963 14.523 -1.112 890 HB2 SER 102 2HB SER 102 7.034 14.931 -3.995 891 HB3 SER 102 3HB SER 102 7.170 13.384 -3.152 892 HG SER 102 HG SER 102 5.656 14.634 -1.571 893 H LEU 103 H LEU 103 9.417 16.913 -3.027 894 HA LEU 103 HA LEU 103 11.342 15.451 -4.513 895 HB2 LEU 103 2HB LEU 103 11.274 18.380 -3.674 896 HB3 LEU 103 3HB LEU 103 12.506 17.698 -4.720 897 HG LEU 103 HG LEU 103 10.661 17.090 -6.367 898 HD11 LEU 103 1HD1 LEU 103 8.728 17.143 -4.874 899 HD12 LEU 103 2HD1 LEU 103 8.506 18.233 -6.238 900 HD13 LEU 103 3HD1 LEU 103 8.923 18.882 -4.648 901 HD21 LEU 103 3HD2 LEU 103 11.052 20.041 -5.773 902 HD22 LEU 103 1HD2 LEU 103 10.506 19.353 -7.308 903 HD23 LEU 103 2HD2 LEU 103 12.129 19.010 -6.718 904 H GLU 104 H GLU 104 11.738 17.523 -1.622 905 HA GLU 104 HA GLU 104 14.372 16.546 -1.021 906 HB2 GLU 104 2HB GLU 104 14.196 17.911 1.019 907 HB3 GLU 104 3HB GLU 104 13.680 18.820 -0.397 908 HG2 GLU 104 2HG GLU 104 11.297 18.345 0.223 909 HG3 GLU 104 3HG GLU 104 11.870 17.561 1.691 910 H HIS 105 H HIS 105 11.179 15.481 -0.270 911 HA HIS 105 HA HIS 105 11.685 14.173 2.224 912 HB2 HIS 105 2HB HIS 105 9.435 14.998 1.463 913 HB3 HIS 105 3HB HIS 105 9.390 13.707 0.270 914 HD1 HIS 105 HD1 HIS 105 7.288 12.704 1.335 915 HD2 HIS 105 HD2 HIS 105 10.500 12.864 3.956 916 HE1 HIS 105 HE1 HIS 105 6.568 11.419 3.358 917 HE2 HIS 105 HE2 HIS 105 8.567 11.427 4.876 918 H HIS 106 H HIS 106 12.191 13.247 -1.104 919 HA HIS 106 HA HIS 106 12.041 10.412 -0.727 920 HB2 HIS 106 2HB HIS 106 12.942 10.148 -2.945 921 HB3 HIS 106 3HB HIS 106 11.796 11.472 -2.978 922 HD1 HIS 106 HD1 HIS 106 15.385 12.211 -1.949 923 HD2 HIS 106 HD2 HIS 106 12.968 12.440 -5.317 924 HE1 HIS 106 HE1 HIS 106 16.678 13.547 -3.616 925 HE2 HIS 106 HE2 HIS 106 15.109 13.861 -5.537 926 H HIS 107 H HIS 107 13.803 8.907 -0.765 927 HA HIS 107 HA HIS 107 16.402 9.933 0.250 928 HB2 HIS 107 2HB HIS 107 15.103 8.548 1.895 929 HB3 HIS 107 3HB HIS 107 15.091 7.210 0.752 930 HD1 HIS 107 HD1 HIS 107 17.199 8.889 3.299 931 HD2 HIS 107 HD2 HIS 107 17.629 5.904 0.441 932 HE1 HIS 107 HE1 HIS 107 19.327 7.700 3.880 933 HE2 HIS 107 HE2 HIS 107 19.472 5.807 2.236 934 H HIS 108 H HIS 108 18.267 9.109 -0.721 935 HA HIS 108 HA HIS 108 18.163 8.155 -3.402 936 HB2 HIS 108 2HB HIS 108 20.011 9.581 -2.517 937 HB3 HIS 108 3HB HIS 108 20.526 8.269 -1.466 938 HD1 HIS 108 HD1 HIS 108 20.588 9.382 -5.052 939 HD2 HIS 108 HD2 HIS 108 22.023 6.239 -2.747 940 HE1 HIS 108 HE1 HIS 108 22.278 8.206 -6.488 941 HE2 HIS 108 HE2 HIS 108 23.173 6.353 -5.049 942 H HIS 109 H HIS 109 17.012 6.266 -3.419 943 HA HIS 109 HA HIS 109 17.808 3.942 -1.799 944 HB2 HIS 109 2HB HIS 109 15.675 2.954 -2.473 945 HB3 HIS 109 3HB HIS 109 15.390 4.594 -1.900 946 HD1 HIS 109 HD1 HIS 109 15.047 2.428 -4.885 947 HD2 HIS 109 HD2 HIS 109 14.687 6.466 -3.974 948 HE1 HIS 109 HE1 HIS 109 13.872 3.457 -6.843 949 HE2 HIS 109 HE2 HIS 109 13.884 5.918 -6.365 950 H HIS 110 H HIS 110 17.481 1.789 -3.053 951 HA HIS 110 HA HIS 110 18.494 1.896 -5.834 952 HB2 HIS 110 2HB HIS 110 19.509 0.219 -3.524 953 HB3 HIS 110 3HB HIS 110 19.527 -0.486 -5.135 954 HD1 HIS 110 HD1 HIS 110 21.445 0.107 -6.597 955 HD2 HIS 110 HD2 HIS 110 21.131 2.693 -3.368 956 HE1 HIS 110 HE1 HIS 110 23.504 1.524 -6.668 957 HE2 HIS 110 HE2 HIS 110 23.139 3.240 -4.882 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.488 11.923 -12.288 2 H2 MET 1 2H MET 1 5.884 12.602 -12.962 3 H3 MET 1 3H MET 1 4.415 12.680 -13.796 4 HA MET 1 HA MET 1 4.947 13.977 -11.199 5 HB2 MET 1 2HB MET 1 6.242 15.013 -13.064 6 HB3 MET 1 3HB MET 1 4.767 15.159 -14.012 7 HG2 MET 1 2HG MET 1 3.850 16.732 -12.348 8 HG3 MET 1 3HG MET 1 5.339 16.598 -11.405 9 HE1 MET 1 3HE MET 1 4.163 19.383 -12.312 10 HE2 MET 1 1HE MET 1 5.623 20.204 -12.882 11 HE3 MET 1 2HE MET 1 5.679 19.216 -11.427 12 H GLY 2 H GLY 2 3.099 14.736 -10.216 13 HA2 GLY 2 2HA GLY 2 0.912 15.426 -9.920 14 HA3 GLY 2 3HA GLY 2 0.574 15.147 -11.621 15 H SER 3 H SER 3 0.721 12.712 -12.224 16 HA SER 3 HA SER 3 -1.057 11.145 -10.620 17 HB2 SER 3 2HB SER 3 0.685 10.272 -12.969 18 HB3 SER 3 3HB SER 3 -0.681 9.379 -12.305 19 HG SER 3 HG SER 3 -1.759 10.446 -13.751 20 H LYS 4 H LYS 4 -0.012 11.083 -8.617 21 HA LYS 4 HA LYS 4 2.535 9.635 -8.325 22 HB2 LYS 4 2HB LYS 4 2.222 11.805 -7.099 23 HB3 LYS 4 3HB LYS 4 0.833 11.119 -6.260 24 HG2 LYS 4 2HG LYS 4 2.505 9.311 -5.409 25 HG3 LYS 4 3HG LYS 4 3.761 10.422 -5.948 26 HD2 LYS 4 2HD LYS 4 1.664 10.878 -3.821 27 HD3 LYS 4 3HD LYS 4 3.414 10.816 -3.625 28 HE2 LYS 4 2HE LYS 4 1.927 12.985 -5.156 29 HE3 LYS 4 3HE LYS 4 2.488 13.135 -3.493 30 HZ1 LYS 4 3HZ LYS 4 4.736 12.888 -4.234 31 HZ2 LYS 4 1HZ LYS 4 3.993 14.140 -5.093 32 HZ3 LYS 4 2HZ LYS 4 4.238 12.642 -5.829 33 H ILE 5 H ILE 5 2.498 7.541 -7.612 34 HA ILE 5 HA ILE 5 -0.038 6.488 -6.506 35 HB ILE 5 HB ILE 5 0.508 4.274 -7.249 36 HG12 ILE 5 2HG1 ILE 5 3.148 5.308 -8.388 37 HG13 ILE 5 3HG1 ILE 5 3.001 4.374 -6.904 38 HG21 ILE 5 1HG2 ILE 5 -0.558 5.753 -8.912 39 HG22 ILE 5 2HG2 ILE 5 0.447 4.534 -9.693 40 HG23 ILE 5 3HG2 ILE 5 1.028 6.196 -9.552 41 HD11 ILE 5 3HD1 ILE 5 3.707 2.983 -8.741 42 HD12 ILE 5 1HD1 ILE 5 2.272 3.420 -9.667 43 HD13 ILE 5 2HD1 ILE 5 2.114 2.488 -8.174 44 H ILE 6 H ILE 6 -0.023 5.499 -4.617 45 HA ILE 6 HA ILE 6 2.470 5.494 -3.002 46 HB ILE 6 HB ILE 6 -0.437 5.780 -2.091 47 HG12 ILE 6 2HG1 ILE 6 0.466 7.852 -3.149 48 HG13 ILE 6 3HG1 ILE 6 0.147 8.080 -1.437 49 HG21 ILE 6 1HG2 ILE 6 0.473 6.114 0.189 50 HG22 ILE 6 2HG2 ILE 6 2.100 5.781 -0.406 51 HG23 ILE 6 3HG2 ILE 6 0.873 4.515 -0.440 52 HD11 ILE 6 3HD1 ILE 6 2.183 9.179 -2.105 53 HD12 ILE 6 1HD1 ILE 6 2.852 7.659 -2.698 54 HD13 ILE 6 2HD1 ILE 6 2.541 7.876 -0.974 55 H VAL 7 H VAL 7 3.085 3.558 -2.226 56 HA VAL 7 HA VAL 7 1.243 1.255 -2.450 57 HB VAL 7 HB VAL 7 4.287 1.158 -2.567 58 HG11 VAL 7 1HG1 VAL 7 3.315 -0.858 -1.542 59 HG12 VAL 7 2HG1 VAL 7 3.933 -1.242 -3.148 60 HG13 VAL 7 3HG1 VAL 7 2.198 -1.040 -2.898 61 HG21 VAL 7 3HG2 VAL 7 4.004 0.521 -4.953 62 HG22 VAL 7 1HG2 VAL 7 3.367 2.139 -4.648 63 HG23 VAL 7 2HG2 VAL 7 2.262 0.775 -4.824 64 H ILE 8 H ILE 8 0.513 0.742 -0.551 65 HA ILE 8 HA ILE 8 1.944 1.436 1.924 66 HB ILE 8 HB ILE 8 -1.026 0.936 1.452 67 HG12 ILE 8 2HG1 ILE 8 0.461 3.547 2.027 68 HG13 ILE 8 3HG1 ILE 8 -0.233 3.076 0.479 69 HG21 ILE 8 1HG2 ILE 8 -0.366 0.212 3.712 70 HG22 ILE 8 2HG2 ILE 8 -1.364 1.660 3.802 71 HG23 ILE 8 3HG2 ILE 8 0.384 1.780 4.021 72 HD11 ILE 8 3HD1 ILE 8 -1.752 3.644 3.012 73 HD12 ILE 8 1HD1 ILE 8 -2.465 3.114 1.486 74 HD13 ILE 8 2HD1 ILE 8 -1.643 4.670 1.583 75 H ILE 9 H ILE 9 2.647 -0.134 3.098 76 HA ILE 9 HA ILE 9 2.104 -2.948 2.492 77 HB ILE 9 HB ILE 9 4.303 -1.624 4.163 78 HG12 ILE 9 2HG1 ILE 9 5.823 -2.757 2.410 79 HG13 ILE 9 3HG1 ILE 9 4.376 -3.061 1.464 80 HG21 ILE 9 1HG2 ILE 9 3.860 -4.601 3.702 81 HG22 ILE 9 2HG2 ILE 9 3.666 -3.745 5.230 82 HG23 ILE 9 3HG2 ILE 9 5.266 -3.893 4.504 83 HD11 ILE 9 3HD1 ILE 9 5.636 -1.143 0.662 84 HD12 ILE 9 1HD1 ILE 9 5.455 -0.345 2.224 85 HD13 ILE 9 2HD1 ILE 9 4.036 -0.653 1.218 86 H SER 10 H SER 10 0.216 -3.423 3.555 87 HA SER 10 HA SER 10 -0.133 -2.555 6.359 88 HB2 SER 10 2HB SER 10 -2.028 -2.124 4.815 89 HB3 SER 10 3HB SER 10 -2.138 -3.843 4.452 90 HG SER 10 HG SER 10 -2.488 -2.659 7.021 91 H SER 11 H SER 11 1.010 -3.894 7.587 92 HA SER 11 HA SER 11 1.037 -6.801 7.205 93 HB2 SER 11 2HB SER 11 2.371 -5.127 9.387 94 HB3 SER 11 3HB SER 11 2.719 -6.815 8.987 95 HG SER 11 HG SER 11 3.688 -4.565 7.893 96 H ASP 12 H ASP 12 -1.309 -6.819 7.464 97 HA ASP 12 HA ASP 12 -3.298 -7.087 8.471 98 HB2 ASP 12 2HB ASP 12 -3.401 -8.799 10.201 99 HB3 ASP 12 3HB ASP 12 -2.171 -9.212 9.019 100 H ASP 13 H ASP 13 -1.942 -4.596 9.261 101 HA ASP 13 HA ASP 13 -2.766 -4.008 11.998 102 HB2 ASP 13 2HB ASP 13 -1.856 -1.715 11.483 103 HB3 ASP 13 3HB ASP 13 -0.680 -2.999 11.236 104 H THR 14 H THR 14 -3.832 -1.662 12.116 105 HA THR 14 HA THR 14 -6.322 -1.652 10.509 106 HB THR 14 HB THR 14 -5.723 -0.536 13.291 107 HG1 THR 14 HG1 THR 14 -6.083 -2.912 12.858 108 HG21 THR 14 3HG2 THR 14 -8.357 -0.490 11.767 109 HG22 THR 14 1HG2 THR 14 -7.357 0.915 12.123 110 HG23 THR 14 2HG2 THR 14 -8.130 0.025 13.440 111 H THR 15 H THR 15 -3.847 0.462 11.991 112 HA THR 15 HA THR 15 -4.848 2.919 11.297 113 HB THR 15 HB THR 15 -1.883 2.302 11.586 114 HG1 THR 15 HG1 THR 15 -2.459 1.613 13.486 115 HG21 THR 15 3HG2 THR 15 -3.488 4.789 12.293 116 HG22 THR 15 1HG2 THR 15 -2.385 4.638 10.924 117 HG23 THR 15 2HG2 THR 15 -1.761 4.557 12.572 118 H LEU 16 H LEU 16 -2.627 0.918 9.307 119 HA LEU 16 HA LEU 16 -2.161 3.056 7.406 120 HB2 LEU 16 2HB LEU 16 -1.422 0.112 7.277 121 HB3 LEU 16 3HB LEU 16 -1.009 1.278 6.033 122 HG LEU 16 HG LEU 16 0.262 2.582 7.846 123 HD11 LEU 16 1HD1 LEU 16 -0.772 1.551 9.823 124 HD12 LEU 16 2HD1 LEU 16 0.985 1.393 9.850 125 HD13 LEU 16 3HD1 LEU 16 -0.017 0.007 9.416 126 HD21 LEU 16 3HD2 LEU 16 2.276 1.184 7.693 127 HD22 LEU 16 1HD2 LEU 16 1.443 1.277 6.143 128 HD23 LEU 16 2HD2 LEU 16 1.304 -0.180 7.132 129 H GLU 17 H GLU 17 -4.545 0.557 7.796 130 HA GLU 17 HA GLU 17 -5.555 0.522 5.122 131 HB2 GLU 17 2HB GLU 17 -7.125 -0.020 7.678 132 HB3 GLU 17 3HB GLU 17 -7.542 -0.541 6.046 133 HG2 GLU 17 2HG GLU 17 -5.465 -1.973 6.066 134 HG3 GLU 17 3HG GLU 17 -5.255 -1.555 7.768 135 H GLU 18 H GLU 18 -6.577 2.235 8.112 136 HA GLU 18 HA GLU 18 -8.779 3.602 6.903 137 HB2 GLU 18 2HB GLU 18 -8.870 4.932 9.007 138 HB3 GLU 18 3HB GLU 18 -8.775 3.201 9.303 139 HG2 GLU 18 2HG GLU 18 -6.366 3.419 9.805 140 HG3 GLU 18 3HG GLU 18 -6.472 5.159 9.533 141 H LEU 19 H LEU 19 -5.394 4.484 7.469 142 HA LEU 19 HA LEU 19 -5.534 7.195 6.642 143 HB2 LEU 19 2HB LEU 19 -3.225 5.222 6.730 144 HB3 LEU 19 3HB LEU 19 -3.009 6.896 6.237 145 HG LEU 19 HG LEU 19 -4.078 6.059 8.963 146 HD11 LEU 19 1HD1 LEU 19 -1.907 6.621 9.892 147 HD12 LEU 19 2HD1 LEU 19 -1.274 6.960 8.279 148 HD13 LEU 19 3HD1 LEU 19 -1.759 5.318 8.716 149 HD21 LEU 19 3HD2 LEU 19 -3.622 8.400 9.613 150 HD22 LEU 19 1HD2 LEU 19 -4.815 8.302 8.318 151 HD23 LEU 19 2HD2 LEU 19 -3.154 8.772 7.951 152 H ALA 20 H ALA 20 -5.121 4.152 4.885 153 HA ALA 20 HA ALA 20 -4.167 5.020 2.412 154 HB1 ALA 20 3HB ALA 20 -6.054 2.691 2.925 155 HB2 ALA 20 1HB ALA 20 -4.296 2.646 3.083 156 HB3 ALA 20 2HB ALA 20 -5.032 2.906 1.502 157 H ARG 21 H ARG 21 -7.474 4.995 3.648 158 HA ARG 21 HA ARG 21 -8.840 5.594 1.233 159 HB2 ARG 21 2HB ARG 21 -10.034 4.642 3.136 160 HB3 ARG 21 3HB ARG 21 -9.632 6.026 4.146 161 HG2 ARG 21 2HG ARG 21 -11.979 6.085 3.400 162 HG3 ARG 21 3HG ARG 21 -11.070 7.475 2.810 163 HD2 ARG 21 2HD ARG 21 -10.823 6.286 0.595 164 HD3 ARG 21 3HD ARG 21 -11.889 5.024 1.213 165 HE ARG 21 HE ARG 21 -13.702 6.513 1.152 166 HH11 ARG 21 1HH1 ARG 21 -10.769 8.104 -0.005 167 HH12 ARG 21 2HH1 ARG 21 -11.634 9.412 -0.742 168 HH21 ARG 21 1HH2 ARG 21 -14.801 8.239 0.185 169 HH22 ARG 21 2HH2 ARG 21 -13.919 9.482 -0.635 170 H LYS 22 H LYS 22 -7.509 7.652 3.808 171 HA LYS 22 HA LYS 22 -8.416 10.149 2.780 172 HB2 LYS 22 2HB LYS 22 -7.720 9.622 5.177 173 HB3 LYS 22 3HB LYS 22 -6.048 9.665 4.637 174 HG2 LYS 22 2HG LYS 22 -6.612 11.768 5.686 175 HG3 LYS 22 3HG LYS 22 -6.344 12.036 3.965 176 HD2 LYS 22 2HD LYS 22 -9.189 11.513 4.715 177 HD3 LYS 22 3HD LYS 22 -8.519 12.992 5.393 178 HE2 LYS 22 2HE LYS 22 -8.594 12.291 2.434 179 HE3 LYS 22 3HE LYS 22 -9.686 13.407 3.255 180 HZ1 LYS 22 3HZ LYS 22 -6.744 13.737 3.009 181 HZ2 LYS 22 1HZ LYS 22 -7.790 14.820 3.772 182 HZ3 LYS 22 2HZ LYS 22 -7.902 14.562 2.103 183 H ILE 23 H ILE 23 -5.467 8.256 2.388 184 HA ILE 23 HA ILE 23 -3.854 10.149 1.059 185 HB ILE 23 HB ILE 23 -3.811 7.097 1.070 186 HG12 ILE 23 2HG1 ILE 23 -1.979 9.035 2.569 187 HG13 ILE 23 3HG1 ILE 23 -3.454 8.385 3.267 188 HG21 ILE 23 1HG2 ILE 23 -1.491 7.202 0.225 189 HG22 ILE 23 2HG2 ILE 23 -1.632 8.951 0.036 190 HG23 ILE 23 3HG2 ILE 23 -2.630 7.875 -0.943 191 HD11 ILE 23 3HD1 ILE 23 -1.081 6.756 2.387 192 HD12 ILE 23 1HD1 ILE 23 -2.549 6.141 3.148 193 HD13 ILE 23 2HD1 ILE 23 -1.476 7.219 4.041 194 H LYS 24 H LYS 24 -5.985 7.547 -0.221 195 HA LYS 24 HA LYS 24 -5.516 8.196 -2.972 196 HB2 LYS 24 2HB LYS 24 -7.249 6.628 -3.529 197 HB3 LYS 24 3HB LYS 24 -6.270 5.940 -2.249 198 HG2 LYS 24 2HG LYS 24 -8.006 5.890 -0.736 199 HG3 LYS 24 3HG LYS 24 -8.747 7.361 -1.362 200 HD2 LYS 24 2HD LYS 24 -10.171 5.390 -1.771 201 HD3 LYS 24 3HD LYS 24 -9.649 6.139 -3.281 202 HE2 LYS 24 2HE LYS 24 -7.822 4.371 -3.406 203 HE3 LYS 24 3HE LYS 24 -8.593 3.584 -2.033 204 HZ1 LYS 24 3HZ LYS 24 -10.580 3.327 -3.324 205 HZ2 LYS 24 1HZ LYS 24 -9.266 2.651 -4.146 206 HZ3 LYS 24 2HZ LYS 24 -9.883 4.147 -4.626 207 H ASP 25 H ASP 25 -7.576 9.508 -0.541 208 HA ASP 25 HA ASP 25 -9.707 10.532 -2.110 209 HB2 ASP 25 2HB ASP 25 -9.696 10.187 0.410 210 HB3 ASP 25 3HB ASP 25 -8.668 11.608 0.551 211 H GLU 26 H GLU 26 -6.426 11.520 -1.783 212 HA GLU 26 HA GLU 26 -6.787 14.267 -2.675 213 HB2 GLU 26 2HB GLU 26 -4.183 12.684 -2.572 214 HB3 GLU 26 3HB GLU 26 -4.380 14.435 -2.552 215 HG2 GLU 26 2HG GLU 26 -5.033 12.479 -0.338 216 HG3 GLU 26 3HG GLU 26 -3.748 13.674 -0.360 217 H GLY 27 H GLY 27 -7.278 11.481 -4.234 218 HA2 GLY 27 2HA GLY 27 -7.722 11.218 -6.509 219 HA3 GLY 27 3HA GLY 27 -6.630 12.542 -6.890 220 H LEU 28 H LEU 28 -5.217 10.431 -4.645 221 HA LEU 28 HA LEU 28 -3.231 9.593 -6.572 222 HB2 LEU 28 2HB LEU 28 -3.407 8.761 -3.656 223 HB3 LEU 28 3HB LEU 28 -1.998 8.684 -4.704 224 HG LEU 28 HG LEU 28 -3.256 11.116 -3.406 225 HD11 LEU 28 1HD1 LEU 28 -0.994 11.474 -2.535 226 HD12 LEU 28 2HD1 LEU 28 -0.450 10.007 -3.355 227 HD13 LEU 28 3HD1 LEU 28 -1.656 9.909 -2.068 228 HD21 LEU 28 3HD2 LEU 28 -2.860 11.825 -5.700 229 HD22 LEU 28 1HD2 LEU 28 -1.196 11.224 -5.637 230 HD23 LEU 28 2HD2 LEU 28 -1.698 12.577 -4.616 231 H GLU 29 H GLU 29 -2.825 7.555 -7.301 232 HA GLU 29 HA GLU 29 -4.832 5.463 -6.940 233 HB2 GLU 29 2HB GLU 29 -3.996 5.996 -9.191 234 HB3 GLU 29 3HB GLU 29 -2.348 5.656 -8.685 235 HG2 GLU 29 2HG GLU 29 -2.832 3.302 -8.455 236 HG3 GLU 29 3HG GLU 29 -4.554 3.574 -8.741 237 H VAL 30 H VAL 30 -4.550 3.893 -5.406 238 HA VAL 30 HA VAL 30 -1.920 3.732 -4.045 239 HB VAL 30 HB VAL 30 -4.687 3.620 -2.762 240 HG11 VAL 30 1HG1 VAL 30 -1.954 3.332 -1.433 241 HG12 VAL 30 2HG1 VAL 30 -3.171 2.065 -1.589 242 HG13 VAL 30 3HG1 VAL 30 -3.489 3.472 -0.576 243 HG21 VAL 30 3HG2 VAL 30 -3.998 5.710 -1.603 244 HG22 VAL 30 1HG2 VAL 30 -3.991 5.921 -3.355 245 HG23 VAL 30 2HG2 VAL 30 -2.469 5.702 -2.487 246 H TYR 31 H TYR 31 -1.048 1.838 -3.937 247 HA TYR 31 HA TYR 31 -2.523 -0.665 -4.489 248 HB2 TYR 31 2HB TYR 31 0.458 -0.009 -4.716 249 HB3 TYR 31 3HB TYR 31 -0.236 -1.602 -4.986 250 HD1 TYR 31 HD2 TYR 31 -0.122 1.895 -6.341 251 HD2 TYR 31 HD1 TYR 31 -1.174 -2.182 -7.103 252 HE1 TYR 31 HE2 TYR 31 -0.401 2.403 -8.735 253 HE2 TYR 31 HE1 TYR 31 -1.441 -1.679 -9.482 254 HH TYR 31 HH TYR 31 -1.908 0.275 -10.909 255 H ILE 32 H ILE 32 -2.607 -2.123 -2.771 256 HA ILE 32 HA ILE 32 -1.074 -1.478 -0.306 257 HB ILE 32 HB ILE 32 -3.581 -3.212 -0.518 258 HG12 ILE 32 2HG1 ILE 32 -4.085 -0.828 -1.159 259 HG13 ILE 32 3HG1 ILE 32 -4.925 -1.346 0.294 260 HG21 ILE 32 1HG2 ILE 32 -2.185 -2.017 1.913 261 HG22 ILE 32 2HG2 ILE 32 -2.211 -3.721 1.452 262 HG23 ILE 32 3HG2 ILE 32 -3.702 -2.921 1.952 263 HD11 ILE 32 3HD1 ILE 32 -3.336 -0.115 1.659 264 HD12 ILE 32 1HD1 ILE 32 -4.111 0.926 0.467 265 HD13 ILE 32 2HD1 ILE 32 -2.456 0.376 0.207 266 H LEU 33 H LEU 33 0.602 -2.885 0.121 267 HA LEU 33 HA LEU 33 0.579 -5.589 -1.006 268 HB2 LEU 33 2HB LEU 33 2.776 -4.066 0.448 269 HB3 LEU 33 3HB LEU 33 2.922 -5.710 -0.170 270 HG LEU 33 HG LEU 33 2.593 -3.164 -1.773 271 HD11 LEU 33 1HD1 LEU 33 4.804 -5.222 -1.746 272 HD12 LEU 33 2HD1 LEU 33 4.859 -3.611 -1.025 273 HD13 LEU 33 3HD1 LEU 33 4.723 -3.787 -2.773 274 HD21 LEU 33 3HD2 LEU 33 2.559 -4.551 -3.808 275 HD22 LEU 33 1HD2 LEU 33 1.148 -4.847 -2.803 276 HD23 LEU 33 2HD2 LEU 33 2.474 -6.012 -2.827 277 H LEU 34 H LEU 34 -0.427 -6.999 0.150 278 HA LEU 34 HA LEU 34 -0.505 -6.809 3.087 279 HB2 LEU 34 2HB LEU 34 -2.528 -7.404 1.163 280 HB3 LEU 34 3HB LEU 34 -2.193 -8.928 1.941 281 HG LEU 34 HG LEU 34 -4.038 -7.899 3.095 282 HD11 LEU 34 1HD1 LEU 34 -1.555 -7.626 4.813 283 HD12 LEU 34 2HD1 LEU 34 -2.520 -9.085 4.577 284 HD13 LEU 34 3HD1 LEU 34 -3.218 -7.698 5.405 285 HD21 LEU 34 3HD2 LEU 34 -2.304 -5.439 3.455 286 HD22 LEU 34 1HD2 LEU 34 -3.927 -5.675 4.112 287 HD23 LEU 34 2HD2 LEU 34 -3.689 -5.592 2.370 288 H LYS 35 H LYS 35 0.778 -8.109 4.213 289 HA LYS 35 HA LYS 35 1.083 -10.886 3.353 290 HB2 LYS 35 2HB LYS 35 3.490 -10.828 4.401 291 HB3 LYS 35 3HB LYS 35 3.246 -10.306 2.752 292 HG2 LYS 35 2HG LYS 35 4.777 -8.781 3.684 293 HG3 LYS 35 3HG LYS 35 3.242 -7.925 3.585 294 HD2 LYS 35 2HD LYS 35 2.939 -7.917 5.926 295 HD3 LYS 35 3HD LYS 35 4.029 -9.282 6.176 296 HE2 LYS 35 2HE LYS 35 4.939 -6.529 5.271 297 HE3 LYS 35 3HE LYS 35 4.953 -7.081 6.948 298 HZ1 LYS 35 3HZ LYS 35 6.421 -8.357 4.713 299 HZ2 LYS 35 1HZ LYS 35 6.447 -8.849 6.327 300 HZ3 LYS 35 2HZ LYS 35 7.104 -7.354 5.893 301 H ASP 36 H ASP 36 0.882 -12.325 4.918 302 HA ASP 36 HA ASP 36 0.354 -11.476 7.706 303 HB2 ASP 36 2HB ASP 36 -1.767 -11.727 6.283 304 HB3 ASP 36 3HB ASP 36 -1.351 -13.417 6.075 305 H LYS 37 H LYS 37 0.212 -13.585 9.103 306 HA LYS 37 HA LYS 37 2.655 -15.071 8.647 307 HB2 LYS 37 2HB LYS 37 0.638 -15.490 10.889 308 HB3 LYS 37 3HB LYS 37 2.330 -15.982 10.874 309 HG2 LYS 37 2HG LYS 37 1.228 -13.159 11.056 310 HG3 LYS 37 3HG LYS 37 2.117 -14.040 12.295 311 HD2 LYS 37 2HD LYS 37 3.297 -13.175 9.618 312 HD3 LYS 37 3HD LYS 37 3.444 -12.255 11.112 313 HE2 LYS 37 2HE LYS 37 4.457 -15.092 10.776 314 HE3 LYS 37 3HE LYS 37 5.450 -13.648 10.561 315 HZ1 LYS 37 3HZ LYS 37 4.026 -14.390 13.063 316 HZ2 LYS 37 1HZ LYS 37 5.011 -13.032 12.840 317 HZ3 LYS 37 2HZ LYS 37 5.683 -14.581 12.778 318 H ASP 38 H ASP 38 -0.695 -15.584 7.989 319 HA ASP 38 HA ASP 38 -0.019 -18.125 6.684 320 HB2 ASP 38 2HB ASP 38 -2.062 -19.249 7.494 321 HB3 ASP 38 3HB ASP 38 -0.981 -18.834 8.814 322 H GLU 39 H GLU 39 -1.020 -18.522 4.889 323 HA GLU 39 HA GLU 39 -1.760 -16.416 3.238 324 HB2 GLU 39 2HB GLU 39 -2.042 -19.407 2.725 325 HB3 GLU 39 3HB GLU 39 -2.264 -18.180 1.486 326 HG2 GLU 39 2HG GLU 39 -0.069 -19.102 1.223 327 HG3 GLU 39 3HG GLU 39 0.101 -17.455 1.816 328 H LYS 40 H LYS 40 -3.908 -18.525 5.074 329 HA LYS 40 HA LYS 40 -6.200 -18.032 3.373 330 HB2 LYS 40 2HB LYS 40 -7.484 -19.344 5.010 331 HB3 LYS 40 3HB LYS 40 -6.028 -20.176 4.485 332 HG2 LYS 40 2HG LYS 40 -4.918 -19.602 6.608 333 HG3 LYS 40 3HG LYS 40 -6.358 -18.730 7.135 334 HD2 LYS 40 2HD LYS 40 -6.285 -20.947 8.174 335 HD3 LYS 40 3HD LYS 40 -7.661 -20.842 7.074 336 HE2 LYS 40 2HE LYS 40 -6.325 -22.070 5.346 337 HE3 LYS 40 3HE LYS 40 -5.004 -22.217 6.509 338 HZ1 LYS 40 3HZ LYS 40 -6.460 -23.483 7.947 339 HZ2 LYS 40 1HZ LYS 40 -6.365 -24.209 6.421 340 HZ3 LYS 40 2HZ LYS 40 -7.737 -23.314 6.849 341 H ARG 41 H ARG 41 -5.080 -16.781 6.540 342 HA ARG 41 HA ARG 41 -7.341 -15.037 6.954 343 HB2 ARG 41 2HB ARG 41 -5.832 -15.800 8.818 344 HB3 ARG 41 3HB ARG 41 -4.527 -14.847 8.132 345 HG2 ARG 41 2HG ARG 41 -5.482 -13.655 10.010 346 HG3 ARG 41 3HG ARG 41 -5.861 -12.774 8.528 347 HD2 ARG 41 2HD ARG 41 -8.142 -13.667 8.542 348 HD3 ARG 41 3HD ARG 41 -7.765 -14.671 9.947 349 HE ARG 41 HE ARG 41 -7.346 -11.846 10.372 350 HH11 ARG 41 1HH1 ARG 41 -9.742 -14.421 10.549 351 HH12 ARG 41 2HH1 ARG 41 -10.729 -13.579 11.702 352 HH21 ARG 41 1HH2 ARG 41 -8.658 -10.778 11.897 353 HH22 ARG 41 2HH2 ARG 41 -10.117 -11.528 12.459 354 H LEU 42 H LEU 42 -4.162 -14.798 5.481 355 HA LEU 42 HA LEU 42 -3.970 -12.122 4.814 356 HB2 LEU 42 2HB LEU 42 -2.187 -13.811 4.546 357 HB3 LEU 42 3HB LEU 42 -3.073 -14.558 3.234 358 HG LEU 42 HG LEU 42 -2.702 -12.645 1.785 359 HD11 LEU 42 1HD1 LEU 42 -1.387 -11.290 4.150 360 HD12 LEU 42 2HD1 LEU 42 -2.920 -10.845 3.396 361 HD13 LEU 42 3HD1 LEU 42 -1.419 -10.677 2.493 362 HD21 LEU 42 3HD2 LEU 42 -0.120 -13.389 3.194 363 HD22 LEU 42 1HD2 LEU 42 -0.259 -12.665 1.587 364 HD23 LEU 42 2HD2 LEU 42 -0.889 -14.283 1.880 365 H GLU 43 H GLU 43 -5.361 -14.760 2.878 366 HA GLU 43 HA GLU 43 -5.989 -13.272 0.580 367 HB2 GLU 43 2HB GLU 43 -5.791 -15.758 0.652 368 HB3 GLU 43 3HB GLU 43 -7.280 -15.844 1.586 369 HG2 GLU 43 2HG GLU 43 -8.551 -14.930 -0.318 370 HG3 GLU 43 3HG GLU 43 -7.061 -14.767 -1.249 371 H GLU 44 H GLU 44 -7.818 -13.864 3.560 372 HA GLU 44 HA GLU 44 -10.324 -12.820 2.796 373 HB2 GLU 44 2HB GLU 44 -8.905 -12.922 5.490 374 HB3 GLU 44 3HB GLU 44 -10.527 -12.260 5.316 375 HG2 GLU 44 2HG GLU 44 -9.723 -15.099 4.609 376 HG3 GLU 44 3HG GLU 44 -10.507 -14.614 6.113 377 H LYS 45 H LYS 45 -7.648 -11.212 4.556 378 HA LYS 45 HA LYS 45 -8.730 -8.640 4.739 379 HB2 LYS 45 2HB LYS 45 -6.866 -9.362 6.122 380 HB3 LYS 45 3HB LYS 45 -5.841 -9.601 4.715 381 HG2 LYS 45 2HG LYS 45 -5.143 -7.588 5.831 382 HG3 LYS 45 3HG LYS 45 -5.887 -7.151 4.297 383 HD2 LYS 45 2HD LYS 45 -6.650 -5.570 5.920 384 HD3 LYS 45 3HD LYS 45 -8.014 -6.625 5.553 385 HE2 LYS 45 2HE LYS 45 -7.615 -7.868 7.642 386 HE3 LYS 45 3HE LYS 45 -6.215 -6.849 7.990 387 HZ1 LYS 45 3HZ LYS 45 -8.133 -6.102 9.201 388 HZ2 LYS 45 1HZ LYS 45 -9.026 -5.935 7.777 389 HZ3 LYS 45 2HZ LYS 45 -7.695 -4.932 8.059 390 H ILE 46 H ILE 46 -6.706 -10.067 2.200 391 HA ILE 46 HA ILE 46 -6.173 -7.819 0.608 392 HB ILE 46 HB ILE 46 -6.563 -10.740 -0.209 393 HG12 ILE 46 2HG1 ILE 46 -4.007 -9.119 0.229 394 HG13 ILE 46 3HG1 ILE 46 -4.648 -10.340 1.321 395 HG21 ILE 46 1HG2 ILE 46 -5.416 -8.499 -1.931 396 HG22 ILE 46 2HG2 ILE 46 -6.943 -9.342 -2.198 397 HG23 ILE 46 3HG2 ILE 46 -5.421 -10.215 -2.349 398 HD11 ILE 46 3HD1 ILE 46 -2.794 -11.216 0.047 399 HD12 ILE 46 1HD1 ILE 46 -3.603 -10.824 -1.470 400 HD13 ILE 46 2HD1 ILE 46 -4.277 -12.056 -0.400 401 H GLN 47 H GLN 47 -8.813 -10.203 0.343 402 HA GLN 47 HA GLN 47 -10.083 -8.959 -1.878 403 HB2 GLN 47 2HB GLN 47 -11.081 -11.079 0.063 404 HB3 GLN 47 3HB GLN 47 -11.950 -10.594 -1.391 405 HG2 GLN 47 2HG GLN 47 -9.183 -11.839 -1.322 406 HG3 GLN 47 3HG GLN 47 -10.680 -12.677 -1.728 407 HE21 GLN 47 1HE2 GLN 47 -11.806 -10.514 -3.332 408 HE22 GLN 47 2HE2 GLN 47 -10.889 -10.455 -4.788 409 H LYS 48 H LYS 48 -10.448 -8.552 1.608 410 HA LYS 48 HA LYS 48 -12.983 -7.244 1.613 411 HB2 LYS 48 2HB LYS 48 -10.748 -6.697 3.621 412 HB3 LYS 48 3HB LYS 48 -12.478 -6.460 3.858 413 HG2 LYS 48 2HG LYS 48 -10.928 -9.048 3.780 414 HG3 LYS 48 3HG LYS 48 -11.861 -8.375 5.111 415 HD2 LYS 48 2HD LYS 48 -13.956 -8.814 3.855 416 HD3 LYS 48 3HD LYS 48 -13.013 -9.468 2.511 417 HE2 LYS 48 2HE LYS 48 -12.114 -11.226 4.057 418 HE3 LYS 48 3HE LYS 48 -13.180 -10.610 5.321 419 HZ1 LYS 48 3HZ LYS 48 -14.051 -12.551 4.135 420 HZ2 LYS 48 1HZ LYS 48 -14.100 -11.647 2.708 421 HZ3 LYS 48 2HZ LYS 48 -15.067 -11.201 4.020 422 H LEU 49 H LEU 49 -9.633 -6.032 1.681 423 HA LEU 49 HA LEU 49 -10.282 -3.276 1.489 424 HB2 LEU 49 2HB LEU 49 -7.737 -4.824 0.969 425 HB3 LEU 49 3HB LEU 49 -7.810 -3.079 0.813 426 HG LEU 49 HG LEU 49 -8.398 -4.570 3.402 427 HD11 LEU 49 1HD1 LEU 49 -6.049 -4.894 2.769 428 HD12 LEU 49 2HD1 LEU 49 -6.195 -3.853 4.180 429 HD13 LEU 49 3HD1 LEU 49 -5.838 -3.147 2.601 430 HD21 LEU 49 3HD2 LEU 49 -8.198 -2.355 4.454 431 HD22 LEU 49 1HD2 LEU 49 -9.495 -2.375 3.264 432 HD23 LEU 49 2HD2 LEU 49 -7.953 -1.610 2.872 433 H LYS 50 H LYS 50 -9.782 -5.767 -1.023 434 HA LYS 50 HA LYS 50 -9.564 -3.898 -3.187 435 HB2 LYS 50 2HB LYS 50 -10.248 -6.865 -3.232 436 HB3 LYS 50 3HB LYS 50 -9.986 -5.882 -4.672 437 HG2 LYS 50 2HG LYS 50 -7.663 -5.367 -3.711 438 HG3 LYS 50 3HG LYS 50 -7.973 -6.650 -2.547 439 HD2 LYS 50 2HD LYS 50 -6.669 -7.570 -4.344 440 HD3 LYS 50 3HD LYS 50 -8.297 -8.240 -4.471 441 HE2 LYS 50 2HE LYS 50 -8.828 -6.723 -6.304 442 HE3 LYS 50 3HE LYS 50 -7.300 -5.866 -6.091 443 HZ1 LYS 50 3HZ LYS 50 -7.549 -8.705 -6.901 444 HZ2 LYS 50 1HZ LYS 50 -6.116 -7.820 -6.776 445 HZ3 LYS 50 2HZ LYS 50 -7.260 -7.413 -7.954 446 H SER 51 H SER 51 -12.273 -5.676 -1.718 447 HA SER 51 HA SER 51 -14.348 -4.779 -3.393 448 HB2 SER 51 2HB SER 51 -14.624 -6.596 -1.721 449 HB3 SER 51 3HB SER 51 -14.430 -5.432 -0.411 450 HG SER 51 HG SER 51 -16.517 -5.300 -0.559 451 H GLN 52 H GLN 52 -12.743 -3.278 -0.649 452 HA GLN 52 HA GLN 52 -14.350 -0.921 -0.462 453 HB2 GLN 52 2HB GLN 52 -11.481 -1.412 0.410 454 HB3 GLN 52 3HB GLN 52 -12.443 -0.013 0.880 455 HG2 GLN 52 2HG GLN 52 -13.973 -1.415 2.131 456 HG3 GLN 52 3HG GLN 52 -13.199 -2.877 1.526 457 HE21 GLN 52 1HE2 GLN 52 -11.462 -0.004 2.655 458 HE22 GLN 52 2HE2 GLN 52 -10.763 -0.764 4.036 459 H GLY 53 H GLY 53 -11.789 -1.856 -2.635 460 HA2 GLY 53 2HA GLY 53 -11.822 -0.816 -4.820 461 HA3 GLY 53 3HA GLY 53 -12.063 0.744 -4.056 462 H PHE 54 H PHE 54 -9.748 -1.442 -2.663 463 HA PHE 54 HA PHE 54 -7.496 0.223 -3.639 464 HB2 PHE 54 2HB PHE 54 -7.638 -1.685 -1.256 465 HB3 PHE 54 3HB PHE 54 -6.234 -0.722 -1.704 466 HD1 PHE 54 HD1 PHE 54 -9.634 -0.610 -0.236 467 HD2 PHE 54 HD2 PHE 54 -6.159 1.683 -1.235 468 HE1 PHE 54 HE1 PHE 54 -10.459 1.243 1.145 469 HE2 PHE 54 HE2 PHE 54 -7.001 3.530 0.148 470 HZ PHE 54 HZ PHE 54 -9.146 3.313 1.339 471 H GLU 55 H GLU 55 -5.843 -0.722 -4.854 472 HA GLU 55 HA GLU 55 -6.227 -3.434 -5.859 473 HB2 GLU 55 2HB GLU 55 -5.506 -1.670 -7.424 474 HB3 GLU 55 3HB GLU 55 -4.053 -1.387 -6.475 475 HG2 GLU 55 2HG GLU 55 -3.524 -2.696 -8.476 476 HG3 GLU 55 3HG GLU 55 -3.215 -3.633 -7.022 477 H VAL 56 H VAL 56 -5.904 -4.756 -4.110 478 HA VAL 56 HA VAL 56 -3.402 -4.582 -2.561 479 HB VAL 56 HB VAL 56 -5.805 -6.346 -1.947 480 HG11 VAL 56 1HG1 VAL 56 -3.533 -5.356 -0.174 481 HG12 VAL 56 2HG1 VAL 56 -3.740 -6.997 -0.787 482 HG13 VAL 56 3HG1 VAL 56 -4.900 -6.337 0.364 483 HG21 VAL 56 3HG2 VAL 56 -5.316 -3.517 -0.951 484 HG22 VAL 56 1HG2 VAL 56 -6.564 -4.616 -0.370 485 HG23 VAL 56 2HG2 VAL 56 -6.609 -4.039 -2.032 486 H ARG 57 H ARG 57 -1.897 -6.161 -2.658 487 HA ARG 57 HA ARG 57 -2.421 -8.673 -4.086 488 HB2 ARG 57 2HB ARG 57 -0.216 -6.723 -4.895 489 HB3 ARG 57 3HB ARG 57 -0.333 -8.383 -5.482 490 HG2 ARG 57 2HG ARG 57 -2.577 -7.833 -6.457 491 HG3 ARG 57 3HG ARG 57 -2.362 -6.159 -5.956 492 HD2 ARG 57 2HD ARG 57 -0.357 -6.023 -7.431 493 HD3 ARG 57 3HD ARG 57 -0.676 -7.682 -7.969 494 HE ARG 57 HE ARG 57 -2.573 -5.434 -8.342 495 HH11 ARG 57 1HH1 ARG 57 -1.068 -8.345 -9.606 496 HH12 ARG 57 2HH1 ARG 57 -1.950 -8.288 -11.095 497 HH21 ARG 57 1HH2 ARG 57 -3.725 -5.404 -10.276 498 HH22 ARG 57 2HH2 ARG 57 -3.454 -6.624 -11.471 499 H LYS 58 H LYS 58 -0.846 -10.261 -3.791 500 HA LYS 58 HA LYS 58 0.079 -10.360 -1.028 501 HB2 LYS 58 2HB LYS 58 -1.435 -12.100 -1.943 502 HB3 LYS 58 3HB LYS 58 -0.256 -12.493 -3.187 503 HG2 LYS 58 2HG LYS 58 1.310 -13.287 -1.436 504 HG3 LYS 58 3HG LYS 58 0.108 -12.908 -0.198 505 HD2 LYS 58 2HD LYS 58 -1.470 -14.523 -1.329 506 HD3 LYS 58 3HD LYS 58 -0.166 -14.950 -2.438 507 HE2 LYS 58 2HE LYS 58 -0.131 -15.353 0.574 508 HE3 LYS 58 3HE LYS 58 -0.399 -16.609 -0.633 509 HZ1 LYS 58 3HZ LYS 58 1.867 -16.660 0.109 510 HZ2 LYS 58 1HZ LYS 58 2.086 -15.024 -0.266 511 HZ3 LYS 58 2HZ LYS 58 1.830 -16.147 -1.503 512 H VAL 59 H VAL 59 2.212 -10.239 -0.523 513 HA VAL 59 HA VAL 59 4.277 -10.590 -2.630 514 HB VAL 59 HB VAL 59 5.726 -9.101 -1.111 515 HG11 VAL 59 1HG1 VAL 59 4.767 -6.998 -1.968 516 HG12 VAL 59 2HG1 VAL 59 3.255 -7.827 -2.343 517 HG13 VAL 59 3HG1 VAL 59 4.734 -8.257 -3.205 518 HG21 VAL 59 3HG2 VAL 59 4.496 -7.592 0.468 519 HG22 VAL 59 1HG2 VAL 59 4.430 -9.282 0.975 520 HG23 VAL 59 2HG2 VAL 59 3.029 -8.533 0.206 521 H LYS 60 H LYS 60 6.222 -11.635 -2.057 522 HA LYS 60 HA LYS 60 5.950 -13.900 -0.348 523 HB2 LYS 60 2HB LYS 60 8.562 -12.792 -1.466 524 HB3 LYS 60 3HB LYS 60 8.247 -14.446 -0.954 525 HG2 LYS 60 2HG LYS 60 6.790 -14.819 -2.862 526 HG3 LYS 60 3HG LYS 60 6.883 -13.113 -3.317 527 HD2 LYS 60 2HD LYS 60 9.403 -13.453 -3.615 528 HD3 LYS 60 3HD LYS 60 9.109 -15.183 -3.423 529 HE2 LYS 60 2HE LYS 60 7.850 -13.449 -5.583 530 HE3 LYS 60 3HE LYS 60 9.279 -14.456 -5.812 531 HZ1 LYS 60 3HZ LYS 60 7.970 -16.401 -5.325 532 HZ2 LYS 60 1HZ LYS 60 7.256 -15.534 -6.589 533 HZ3 LYS 60 2HZ LYS 60 6.596 -15.461 -5.033 534 H ASP 61 H ASP 61 8.522 -11.424 -0.136 535 HA ASP 61 HA ASP 61 8.367 -11.436 2.826 536 HB2 ASP 61 2HB ASP 61 10.943 -11.312 1.175 537 HB3 ASP 61 3HB ASP 61 10.824 -11.365 2.932 538 H ASP 62 H ASP 62 9.807 -9.394 3.662 539 HA ASP 62 HA ASP 62 8.969 -6.962 2.461 540 HB2 ASP 62 2HB ASP 62 11.248 -7.541 4.404 541 HB3 ASP 62 3HB ASP 62 10.743 -5.913 3.947 542 H ASP 63 H ASP 63 11.960 -8.819 2.258 543 HA ASP 63 HA ASP 63 13.445 -7.671 0.306 544 HB2 ASP 63 2HB ASP 63 13.954 -9.904 1.224 545 HB3 ASP 63 3HB ASP 63 12.570 -10.598 0.379 546 H ASP 64 H ASP 64 10.369 -9.423 -0.296 547 HA ASP 64 HA ASP 64 10.477 -8.967 -3.181 548 HB2 ASP 64 2HB ASP 64 9.562 -11.119 -2.237 549 HB3 ASP 64 3HB ASP 64 8.219 -10.206 -1.560 550 H ILE 65 H ILE 65 9.081 -7.478 -0.378 551 HA ILE 65 HA ILE 65 7.105 -5.863 -1.597 552 HB ILE 65 HB ILE 65 8.745 -5.521 0.927 553 HG12 ILE 65 2HG1 ILE 65 5.757 -6.012 0.506 554 HG13 ILE 65 3HG1 ILE 65 6.945 -7.247 0.899 555 HG21 ILE 65 1HG2 ILE 65 6.642 -3.551 -0.039 556 HG22 ILE 65 2HG2 ILE 65 8.365 -3.235 0.160 557 HG23 ILE 65 3HG2 ILE 65 7.365 -3.560 1.573 558 HD11 ILE 65 3HD1 ILE 65 5.648 -6.633 2.831 559 HD12 ILE 65 1HD1 ILE 65 6.130 -4.946 2.660 560 HD13 ILE 65 2HD1 ILE 65 7.335 -6.172 3.063 561 H ASP 66 H ASP 66 10.532 -5.056 -0.801 562 HA ASP 66 HA ASP 66 10.523 -2.540 -2.133 563 HB2 ASP 66 2HB ASP 66 12.206 -3.100 -0.419 564 HB3 ASP 66 3HB ASP 66 12.880 -4.360 -1.452 565 H LYS 67 H LYS 67 11.223 -5.797 -3.138 566 HA LYS 67 HA LYS 67 12.212 -5.262 -5.763 567 HB2 LYS 67 2HB LYS 67 12.693 -7.319 -4.480 568 HB3 LYS 67 3HB LYS 67 10.997 -7.771 -4.547 569 HG2 LYS 67 2HG LYS 67 11.110 -8.274 -6.867 570 HG3 LYS 67 3HG LYS 67 12.663 -7.451 -7.051 571 HD2 LYS 67 2HD LYS 67 12.886 -9.940 -7.049 572 HD3 LYS 67 3HD LYS 67 13.802 -9.166 -5.759 573 HE2 LYS 67 2HE LYS 67 11.885 -9.722 -4.189 574 HE3 LYS 67 3HE LYS 67 11.169 -10.659 -5.499 575 HZ1 LYS 67 3HZ LYS 67 13.216 -11.998 -5.521 576 HZ2 LYS 67 1HZ LYS 67 12.369 -12.080 -4.058 577 HZ3 LYS 67 2HZ LYS 67 13.766 -11.137 -4.168 578 H TRP 68 H TRP 68 9.010 -5.739 -4.391 579 HA TRP 68 HA TRP 68 7.525 -5.902 -6.795 580 HB2 TRP 68 2HB TRP 68 6.693 -6.438 -4.405 581 HB3 TRP 68 3HB TRP 68 6.456 -4.707 -4.205 582 HD1 TRP 68 HD1 TRP 68 5.081 -7.733 -6.079 583 HE1 TRP 68 HE1 TRP 68 2.746 -7.171 -6.985 584 HE3 TRP 68 HE3 TRP 68 4.953 -2.739 -4.979 585 HZ2 TRP 68 HZ2 TRP 68 1.066 -4.930 -7.218 586 HZ3 TRP 68 HZ3 TRP 68 2.930 -1.459 -5.573 587 HH2 TRP 68 HH2 TRP 68 1.029 -2.536 -6.670 588 H ILE 69 H ILE 69 8.580 -3.164 -4.793 589 HA ILE 69 HA ILE 69 7.220 -1.174 -6.409 590 HB ILE 69 HB ILE 69 9.185 -0.943 -4.100 591 HG12 ILE 69 2HG1 ILE 69 7.245 0.506 -3.172 592 HG13 ILE 69 3HG1 ILE 69 6.299 -0.035 -4.552 593 HG21 ILE 69 1HG2 ILE 69 8.304 1.415 -5.802 594 HG22 ILE 69 2HG2 ILE 69 9.947 0.798 -5.636 595 HG23 ILE 69 3HG2 ILE 69 9.142 1.535 -4.251 596 HD11 ILE 69 3HD1 ILE 69 5.797 -1.273 -2.538 597 HD12 ILE 69 1HD1 ILE 69 7.475 -1.799 -2.417 598 HD13 ILE 69 2HD1 ILE 69 6.478 -2.327 -3.777 599 H ASP 70 H ASP 70 10.356 -2.722 -6.328 600 HA ASP 70 HA ASP 70 11.870 -1.144 -8.056 601 HB2 ASP 70 2HB ASP 70 12.897 -2.963 -6.835 602 HB3 ASP 70 3HB ASP 70 11.851 -4.146 -7.605 603 H LYS 71 H LYS 71 9.694 -3.875 -8.872 604 HA LYS 71 HA LYS 71 10.069 -3.629 -11.699 605 HB2 LYS 71 2HB LYS 71 8.216 -5.263 -11.929 606 HB3 LYS 71 3HB LYS 71 9.456 -5.804 -10.810 607 HG2 LYS 71 2HG LYS 71 8.006 -5.168 -8.908 608 HG3 LYS 71 3HG LYS 71 6.757 -4.651 -10.037 609 HD2 LYS 71 2HD LYS 71 6.277 -6.883 -9.103 610 HD3 LYS 71 3HD LYS 71 6.498 -6.956 -10.850 611 HE2 LYS 71 2HE LYS 71 7.589 -8.853 -9.684 612 HE3 LYS 71 3HE LYS 71 8.766 -7.865 -10.547 613 HZ1 LYS 71 3HZ LYS 71 8.189 -7.653 -7.648 614 HZ2 LYS 71 1HZ LYS 71 9.424 -6.858 -8.494 615 HZ3 LYS 71 2HZ LYS 71 9.467 -8.540 -8.306 616 H ILE 72 H ILE 72 7.685 -2.327 -9.400 617 HA ILE 72 HA ILE 72 5.765 -1.461 -11.290 618 HB ILE 72 HB ILE 72 6.363 -0.457 -8.482 619 HG12 ILE 72 2HG1 ILE 72 5.533 -2.792 -8.620 620 HG13 ILE 72 3HG1 ILE 72 4.370 -1.748 -7.828 621 HG21 ILE 72 1HG2 ILE 72 4.141 0.662 -8.510 622 HG22 ILE 72 2HG2 ILE 72 3.997 0.302 -10.232 623 HG23 ILE 72 3HG2 ILE 72 5.270 1.381 -9.659 624 HD11 ILE 72 3HD1 ILE 72 3.039 -1.706 -9.891 625 HD12 ILE 72 1HD1 ILE 72 3.276 -3.335 -9.262 626 HD13 ILE 72 2HD1 ILE 72 4.213 -2.785 -10.651 627 H LYS 73 H LYS 73 8.571 0.233 -9.869 628 HA LYS 73 HA LYS 73 8.258 2.718 -11.224 629 HB2 LYS 73 2HB LYS 73 10.794 1.390 -10.172 630 HB3 LYS 73 3HB LYS 73 10.681 3.073 -10.673 631 HG2 LYS 73 2HG LYS 73 9.146 3.555 -8.834 632 HG3 LYS 73 3HG LYS 73 9.132 1.852 -8.366 633 HD2 LYS 73 2HD LYS 73 11.535 3.726 -8.272 634 HD3 LYS 73 3HD LYS 73 10.615 3.138 -6.884 635 HE2 LYS 73 2HE LYS 73 11.322 0.812 -7.431 636 HE3 LYS 73 3HE LYS 73 12.275 1.431 -8.780 637 HZ1 LYS 73 3HZ LYS 73 13.722 1.099 -6.995 638 HZ2 LYS 73 1HZ LYS 73 12.715 1.897 -5.895 639 HZ3 LYS 73 2HZ LYS 73 13.505 2.770 -7.107 640 H LYS 74 H LYS 74 9.715 -0.340 -12.077 641 HA LYS 74 HA LYS 74 11.299 0.526 -14.293 642 HB2 LYS 74 2HB LYS 74 11.673 -1.475 -12.801 643 HB3 LYS 74 3HB LYS 74 10.294 -2.253 -13.557 644 HG2 LYS 74 2HG LYS 74 11.467 -2.374 -15.686 645 HG3 LYS 74 3HG LYS 74 12.810 -1.429 -15.036 646 HD2 LYS 74 2HD LYS 74 11.963 -4.215 -14.128 647 HD3 LYS 74 3HD LYS 74 13.404 -3.815 -15.068 648 HE2 LYS 74 2HE LYS 74 14.303 -2.533 -13.152 649 HE3 LYS 74 3HE LYS 74 12.846 -2.878 -12.221 650 HZ1 LYS 74 3HZ LYS 74 13.397 -5.227 -12.333 651 HZ2 LYS 74 1HZ LYS 74 14.610 -4.325 -11.576 652 HZ3 LYS 74 2HZ LYS 74 14.825 -4.869 -13.164 653 H GLU 75 H GLU 75 8.064 -0.829 -13.889 654 HA GLU 75 HA GLU 75 7.440 -1.070 -16.705 655 HB2 GLU 75 2HB GLU 75 5.651 -1.200 -14.235 656 HB3 GLU 75 3HB GLU 75 5.139 -1.610 -15.873 657 HG2 GLU 75 2HG GLU 75 6.619 -3.517 -15.926 658 HG3 GLU 75 3HG GLU 75 7.357 -3.051 -14.397 659 H ARG 76 H ARG 76 7.019 1.265 -14.129 660 HA ARG 76 HA ARG 76 5.543 3.152 -15.885 661 HB2 ARG 76 2HB ARG 76 5.012 2.776 -12.907 662 HB3 ARG 76 3HB ARG 76 4.085 3.764 -14.032 663 HG2 ARG 76 2HG ARG 76 3.015 1.901 -14.989 664 HG3 ARG 76 3HG ARG 76 4.258 0.775 -14.438 665 HD2 ARG 76 2HD ARG 76 3.495 1.232 -12.063 666 HD3 ARG 76 3HD ARG 76 2.139 2.132 -12.742 667 HE ARG 76 HE ARG 76 1.122 0.151 -13.275 668 HH11 ARG 76 1HH1 ARG 76 4.491 -0.516 -12.559 669 HH12 ARG 76 2HH1 ARG 76 4.288 -2.237 -12.583 670 HH21 ARG 76 1HH2 ARG 76 0.866 -2.111 -13.258 671 HH22 ARG 76 2HH2 ARG 76 2.238 -3.134 -12.976 672 HA PRO 77 HA PRO 77 9.241 5.221 -13.825 673 HB2 PRO 77 2HB PRO 77 10.774 5.800 -15.964 674 HB3 PRO 77 3HB PRO 77 10.725 4.153 -15.302 675 HG2 PRO 77 2HG PRO 77 9.333 5.244 -17.731 676 HG3 PRO 77 3HG PRO 77 10.150 3.682 -17.501 677 HD2 PRO 77 2HD PRO 77 7.392 4.065 -17.302 678 HD3 PRO 77 3HD PRO 77 8.277 2.697 -16.597 679 H GLN 78 H GLN 78 6.679 6.120 -15.655 680 HA GLN 78 HA GLN 78 7.347 8.917 -16.119 681 HB2 GLN 78 2HB GLN 78 5.116 9.066 -17.103 682 HB3 GLN 78 3HB GLN 78 5.982 7.685 -17.761 683 HG2 GLN 78 2HG GLN 78 4.679 6.171 -16.278 684 HG3 GLN 78 3HG GLN 78 3.813 7.563 -15.632 685 HE21 GLN 78 1HE2 GLN 78 4.667 7.098 -19.052 686 HE22 GLN 78 2HE2 GLN 78 3.043 6.913 -19.606 687 H LEU 79 H LEU 79 6.226 7.092 -13.503 688 HA LEU 79 HA LEU 79 5.004 9.454 -12.207 689 HB2 LEU 79 2HB LEU 79 3.472 7.851 -10.984 690 HB3 LEU 79 3HB LEU 79 3.138 8.104 -12.681 691 HG LEU 79 HG LEU 79 4.298 5.858 -13.133 692 HD11 LEU 79 1HD1 LEU 79 4.424 4.242 -11.283 693 HD12 LEU 79 2HD1 LEU 79 4.051 5.528 -10.133 694 HD13 LEU 79 3HD1 LEU 79 5.545 5.584 -11.069 695 HD21 LEU 79 3HD2 LEU 79 2.303 4.539 -12.516 696 HD22 LEU 79 1HD2 LEU 79 1.877 6.095 -13.227 697 HD23 LEU 79 2HD2 LEU 79 1.751 5.864 -11.482 698 H GLU 80 H GLU 80 4.778 8.859 -9.721 699 HA GLU 80 HA GLU 80 7.505 8.166 -8.793 700 HB2 GLU 80 2HB GLU 80 7.057 10.059 -7.061 701 HB3 GLU 80 3HB GLU 80 7.474 10.516 -8.706 702 HG2 GLU 80 2HG GLU 80 4.936 10.709 -9.110 703 HG3 GLU 80 3HG GLU 80 4.777 10.667 -7.361 704 H VAL 81 H VAL 81 7.611 6.773 -7.196 705 HA VAL 81 HA VAL 81 5.120 5.723 -5.962 706 HB VAL 81 HB VAL 81 7.727 4.168 -6.400 707 HG11 VAL 81 1HG1 VAL 81 4.916 3.185 -5.756 708 HG12 VAL 81 2HG1 VAL 81 6.260 3.272 -4.617 709 HG13 VAL 81 3HG1 VAL 81 6.338 2.163 -5.987 710 HG21 VAL 81 3HG2 VAL 81 6.665 3.061 -8.342 711 HG22 VAL 81 1HG2 VAL 81 6.832 4.798 -8.616 712 HG23 VAL 81 2HG2 VAL 81 5.263 4.119 -8.186 713 H ARG 82 H ARG 82 5.030 5.681 -3.767 714 HA ARG 82 HA ARG 82 7.503 6.029 -2.147 715 HB2 ARG 82 2HB ARG 82 5.969 7.940 -1.919 716 HB3 ARG 82 3HB ARG 82 4.636 6.862 -1.535 717 HG2 ARG 82 2HG ARG 82 5.360 7.867 0.509 718 HG3 ARG 82 3HG ARG 82 5.864 6.181 0.559 719 HD2 ARG 82 2HD ARG 82 8.169 6.831 0.018 720 HD3 ARG 82 3HD ARG 82 7.678 8.516 -0.171 721 HE ARG 82 HE ARG 82 7.955 7.020 2.344 722 HH11 ARG 82 1HH1 ARG 82 7.185 10.091 0.798 723 HH12 ARG 82 2HH1 ARG 82 7.323 11.007 2.262 724 HH21 ARG 82 1HH2 ARG 82 8.145 8.266 4.264 725 HH22 ARG 82 2HH2 ARG 82 7.868 9.972 4.215 726 H LYS 83 H LYS 83 7.970 4.463 -0.651 727 HA LYS 83 HA LYS 83 6.119 2.204 -0.272 728 HB2 LYS 83 2HB LYS 83 8.980 2.558 0.741 729 HB3 LYS 83 3HB LYS 83 7.972 1.140 1.008 730 HG2 LYS 83 2HG LYS 83 7.864 1.103 -1.641 731 HG3 LYS 83 3HG LYS 83 9.352 2.044 -1.508 732 HD2 LYS 83 2HD LYS 83 8.836 -0.728 -0.348 733 HD3 LYS 83 3HD LYS 83 9.846 -0.359 -1.743 734 HE2 LYS 83 2HE LYS 83 10.415 0.604 1.087 735 HE3 LYS 83 3HE LYS 83 11.138 -0.826 0.349 736 HZ1 LYS 83 3HZ LYS 83 12.206 0.509 -1.271 737 HZ2 LYS 83 1HZ LYS 83 12.527 1.209 0.234 738 HZ3 LYS 83 2HZ LYS 83 11.372 1.896 -0.793 739 H VAL 84 H VAL 84 4.674 2.419 1.301 740 HA VAL 84 HA VAL 84 5.302 3.894 3.778 741 HB VAL 84 HB VAL 84 2.646 3.064 2.508 742 HG11 VAL 84 1HG1 VAL 84 1.503 4.241 4.377 743 HG12 VAL 84 2HG1 VAL 84 3.059 4.479 5.175 744 HG13 VAL 84 3HG1 VAL 84 2.424 2.849 4.952 745 HG21 VAL 84 3HG2 VAL 84 3.823 5.825 3.035 746 HG22 VAL 84 1HG2 VAL 84 2.248 5.498 2.310 747 HG23 VAL 84 2HG2 VAL 84 3.720 5.032 1.461 748 H THR 85 H THR 85 6.514 2.244 4.772 749 HA THR 85 HA THR 85 5.290 -0.392 5.236 750 HB THR 85 HB THR 85 7.506 -0.879 6.388 751 HG1 THR 85 HG1 THR 85 8.320 1.045 6.990 752 HG21 THR 85 3HG2 THR 85 7.728 0.156 3.526 753 HG22 THR 85 1HG2 THR 85 7.190 -1.461 3.990 754 HG23 THR 85 2HG2 THR 85 8.850 -0.958 4.308 755 H ASP 86 H ASP 86 5.670 2.638 6.780 756 HA ASP 86 HA ASP 86 4.740 1.627 9.414 757 HB2 ASP 86 2HB ASP 86 6.322 4.184 8.796 758 HB3 ASP 86 3HB ASP 86 5.785 3.676 10.398 759 H GLU 87 H GLU 87 2.978 2.722 10.350 760 HA GLU 87 HA GLU 87 1.184 4.295 8.874 761 HB2 GLU 87 2HB GLU 87 0.078 4.855 10.958 762 HB3 GLU 87 3HB GLU 87 0.573 3.176 11.028 763 HG2 GLU 87 2HG GLU 87 2.010 5.473 12.418 764 HG3 GLU 87 3HG GLU 87 0.858 4.380 13.182 765 H ASP 88 H ASP 88 3.972 5.167 10.850 766 HA ASP 88 HA ASP 88 3.991 7.896 10.924 767 HB2 ASP 88 2HB ASP 88 5.779 6.533 11.917 768 HB3 ASP 88 3HB ASP 88 6.292 5.981 10.330 769 H GLN 89 H GLN 89 5.142 5.818 8.263 770 HA GLN 89 HA GLN 89 5.853 7.784 6.395 771 HB2 GLN 89 2HB GLN 89 4.914 4.915 6.014 772 HB3 GLN 89 3HB GLN 89 5.505 5.903 4.685 773 HG2 GLN 89 2HG GLN 89 7.139 5.209 7.148 774 HG3 GLN 89 3HG GLN 89 7.188 4.306 5.633 775 HE21 GLN 89 1HE2 GLN 89 8.052 5.316 3.773 776 HE22 GLN 89 2HE2 GLN 89 9.149 6.647 3.908 777 H ALA 90 H ALA 90 2.749 6.111 6.913 778 HA ALA 90 HA ALA 90 1.356 7.197 4.688 779 HB1 ALA 90 3HB ALA 90 -0.677 6.338 5.792 780 HB2 ALA 90 1HB ALA 90 0.245 6.058 7.270 781 HB3 ALA 90 2HB ALA 90 0.620 5.144 5.811 782 H LYS 91 H LYS 91 1.811 8.336 7.990 783 HA LYS 91 HA LYS 91 -0.074 10.520 7.832 784 HB2 LYS 91 2HB LYS 91 2.128 9.891 9.841 785 HB3 LYS 91 3HB LYS 91 0.960 11.201 10.028 786 HG2 LYS 91 2HG LYS 91 -0.875 9.647 10.211 787 HG3 LYS 91 3HG LYS 91 0.152 8.286 9.759 788 HD2 LYS 91 2HD LYS 91 -0.254 8.257 12.162 789 HD3 LYS 91 3HD LYS 91 1.453 8.575 11.845 790 HE2 LYS 91 2HE LYS 91 1.054 10.998 12.242 791 HE3 LYS 91 3HE LYS 91 -0.642 10.650 12.594 792 HZ1 LYS 91 3HZ LYS 91 0.675 10.866 14.603 793 HZ2 LYS 91 1HZ LYS 91 1.690 9.607 14.099 794 HZ3 LYS 91 2HZ LYS 91 0.065 9.294 14.454 795 H GLN 92 H GLN 92 3.383 10.077 7.344 796 HA GLN 92 HA GLN 92 4.125 12.825 7.257 797 HB2 GLN 92 2HB GLN 92 5.530 10.288 6.372 798 HB3 GLN 92 3HB GLN 92 6.241 11.869 6.062 799 HG2 GLN 92 2HG GLN 92 5.574 10.723 8.798 800 HG3 GLN 92 3HG GLN 92 7.185 10.849 8.080 801 HE21 GLN 92 1HE2 GLN 92 4.564 12.618 9.565 802 HE22 GLN 92 2HE2 GLN 92 5.431 14.087 9.823 803 H ILE 93 H ILE 93 3.449 10.431 4.712 804 HA ILE 93 HA ILE 93 3.949 12.097 2.523 805 HB ILE 93 HB ILE 93 2.636 10.591 1.105 806 HG12 ILE 93 2HG1 ILE 93 1.809 9.154 3.673 807 HG13 ILE 93 3HG1 ILE 93 0.738 10.120 2.664 808 HG21 ILE 93 1HG2 ILE 93 3.932 8.535 1.500 809 HG22 ILE 93 2HG2 ILE 93 4.383 9.125 3.101 810 HG23 ILE 93 3HG2 ILE 93 4.926 9.984 1.658 811 HD11 ILE 93 3HD1 ILE 93 0.438 7.747 2.305 812 HD12 ILE 93 1HD1 ILE 93 2.121 7.580 1.826 813 HD13 ILE 93 2HD1 ILE 93 1.011 8.536 0.841 814 H LEU 94 H LEU 94 0.957 11.733 4.418 815 HA LEU 94 HA LEU 94 -0.791 13.265 2.878 816 HB2 LEU 94 2HB LEU 94 -0.513 13.148 5.903 817 HB3 LEU 94 3HB LEU 94 -1.869 13.900 5.079 818 HG LEU 94 HG LEU 94 -1.146 10.948 4.925 819 HD11 LEU 94 1HD1 LEU 94 -1.981 11.552 7.142 820 HD12 LEU 94 2HD1 LEU 94 -3.139 10.544 6.281 821 HD13 LEU 94 3HD1 LEU 94 -3.419 12.282 6.422 822 HD21 LEU 94 3HD2 LEU 94 -3.527 12.424 3.754 823 HD22 LEU 94 1HD2 LEU 94 -3.309 10.671 3.769 824 HD23 LEU 94 2HD2 LEU 94 -2.202 11.686 2.853 825 H GLU 95 H GLU 95 1.720 14.353 5.148 826 HA GLU 95 HA GLU 95 1.301 17.173 4.745 827 HB2 GLU 95 2HB GLU 95 3.656 15.635 5.904 828 HB3 GLU 95 3HB GLU 95 3.448 17.383 6.001 829 HG2 GLU 95 2HG GLU 95 1.477 17.126 7.393 830 HG3 GLU 95 3HG GLU 95 1.513 15.370 7.185 831 H ASP 96 H ASP 96 3.308 14.686 3.318 832 HA ASP 96 HA ASP 96 5.172 16.403 1.915 833 HB2 ASP 96 2HB ASP 96 4.573 13.448 1.438 834 HB3 ASP 96 3HB ASP 96 5.847 14.344 0.620 835 H LEU 97 H LEU 97 2.025 15.229 1.274 836 HA LEU 97 HA LEU 97 1.852 15.777 -1.523 837 HB2 LEU 97 2HB LEU 97 -0.044 15.176 0.726 838 HB3 LEU 97 3HB LEU 97 -0.731 15.946 -0.688 839 HG LEU 97 HG LEU 97 -0.412 14.060 -2.059 840 HD11 LEU 97 1HD1 LEU 97 1.022 12.162 -1.642 841 HD12 LEU 97 2HD1 LEU 97 1.531 12.826 -0.091 842 HD13 LEU 97 3HD1 LEU 97 1.976 13.641 -1.590 843 HD21 LEU 97 3HD2 LEU 97 -1.375 12.164 -0.850 844 HD22 LEU 97 1HD2 LEU 97 -2.136 13.671 -0.355 845 HD23 LEU 97 2HD2 LEU 97 -0.949 12.899 0.698 846 H LYS 98 H LYS 98 1.255 17.598 1.453 847 HA LYS 98 HA LYS 98 -0.092 19.810 0.155 848 HB2 LYS 98 2HB LYS 98 0.892 19.605 3.011 849 HB3 LYS 98 3HB LYS 98 -0.210 20.826 2.370 850 HG2 LYS 98 2HG LYS 98 -1.721 18.808 1.714 851 HG3 LYS 98 3HG LYS 98 -0.711 17.879 2.822 852 HD2 LYS 98 2HD LYS 98 -2.616 18.575 4.057 853 HD3 LYS 98 3HD LYS 98 -1.284 19.588 4.607 854 HE2 LYS 98 2HE LYS 98 -3.328 20.925 4.302 855 HE3 LYS 98 3HE LYS 98 -2.092 21.422 3.145 856 HZ1 LYS 98 3HZ LYS 98 -4.400 19.631 2.571 857 HZ2 LYS 98 1HZ LYS 98 -3.201 20.073 1.455 858 HZ3 LYS 98 2HZ LYS 98 -4.243 21.244 2.087 859 H LYS 99 H LYS 99 3.026 19.313 1.761 860 HA LYS 99 HA LYS 99 4.153 21.865 1.081 861 HB2 LYS 99 2HB LYS 99 6.186 21.096 2.081 862 HB3 LYS 99 3HB LYS 99 4.892 20.396 3.045 863 HG2 LYS 99 2HG LYS 99 5.193 18.243 1.792 864 HG3 LYS 99 3HG LYS 99 6.552 18.966 0.935 865 HD2 LYS 99 2HD LYS 99 7.438 17.604 2.714 866 HD3 LYS 99 3HD LYS 99 7.707 19.292 3.153 867 HE2 LYS 99 2HE LYS 99 5.846 19.222 4.736 868 HE3 LYS 99 3HE LYS 99 5.393 17.607 4.186 869 HZ1 LYS 99 3HZ LYS 99 6.601 17.538 6.260 870 HZ2 LYS 99 1HZ LYS 99 7.925 18.317 5.550 871 HZ3 LYS 99 2HZ LYS 99 7.477 16.768 5.031 872 H LYS 100 H LYS 100 3.369 19.324 -0.860 873 HA LYS 100 HA LYS 100 4.019 18.268 -2.710 874 HB2 LYS 100 2HB LYS 100 4.493 19.725 -4.660 875 HB3 LYS 100 3HB LYS 100 3.114 20.255 -3.708 876 HG2 LYS 100 2HG LYS 100 4.415 22.090 -2.754 877 HG3 LYS 100 3HG LYS 100 5.878 21.517 -3.556 878 HD2 LYS 100 2HD LYS 100 4.909 23.435 -4.747 879 HD3 LYS 100 3HD LYS 100 4.884 21.987 -5.753 880 HE2 LYS 100 2HE LYS 100 2.460 21.675 -5.114 881 HE3 LYS 100 3HE LYS 100 2.536 23.225 -4.273 882 HZ1 LYS 100 3HZ LYS 100 3.114 24.272 -6.382 883 HZ2 LYS 100 1HZ LYS 100 1.624 23.471 -6.476 884 HZ3 LYS 100 2HZ LYS 100 3.002 22.778 -7.169 885 H GLY 101 H GLY 101 5.779 17.653 -0.970 886 HA2 GLY 101 2HA GLY 101 8.498 18.003 -1.424 887 HA3 GLY 101 3HA GLY 101 7.759 16.567 -0.734 888 H SER 102 H SER 102 9.662 17.606 -3.179 889 HA SER 102 HA SER 102 8.703 16.375 -5.521 890 HB2 SER 102 2HB SER 102 11.164 16.663 -6.244 891 HB3 SER 102 3HB SER 102 10.327 18.123 -5.719 892 HG SER 102 HG SER 102 12.321 16.636 -4.411 893 H LEU 103 H LEU 103 9.692 14.552 -6.681 894 HA LEU 103 HA LEU 103 9.671 12.186 -5.096 895 HB2 LEU 103 2HB LEU 103 10.072 10.990 -7.248 896 HB3 LEU 103 3HB LEU 103 8.702 12.075 -7.264 897 HG LEU 103 HG LEU 103 10.297 13.759 -8.487 898 HD11 LEU 103 1HD1 LEU 103 12.426 12.647 -8.150 899 HD12 LEU 103 2HD1 LEU 103 12.072 12.750 -9.871 900 HD13 LEU 103 3HD1 LEU 103 11.860 11.218 -9.018 901 HD21 LEU 103 3HD2 LEU 103 9.717 12.832 -10.676 902 HD22 LEU 103 1HD2 LEU 103 8.371 12.682 -9.550 903 HD23 LEU 103 2HD2 LEU 103 9.355 11.269 -9.938 904 H GLU 104 H GLU 104 12.262 14.184 -6.436 905 HA GLU 104 HA GLU 104 14.399 12.441 -5.624 906 HB2 GLU 104 2HB GLU 104 15.898 14.307 -6.032 907 HB3 GLU 104 3HB GLU 104 14.718 14.259 -7.323 908 HG2 GLU 104 2HG GLU 104 14.888 16.549 -6.927 909 HG3 GLU 104 3HG GLU 104 13.480 16.115 -5.968 910 H HIS 105 H HIS 105 15.502 12.456 -3.625 911 HA HIS 105 HA HIS 105 13.783 13.374 -1.415 912 HB2 HIS 105 2HB HIS 105 14.442 10.895 -1.748 913 HB3 HIS 105 3HB HIS 105 16.043 11.348 -1.174 914 HD1 HIS 105 HD1 HIS 105 12.484 10.943 -0.028 915 HD2 HIS 105 HD2 HIS 105 16.196 11.865 1.602 916 HE1 HIS 105 HE1 HIS 105 12.184 10.817 2.463 917 HE2 HIS 105 HE2 HIS 105 14.413 11.487 3.424 918 H HIS 106 H HIS 106 14.859 15.512 -2.183 919 HA HIS 106 HA HIS 106 16.004 17.366 -1.611 920 HB2 HIS 106 2HB HIS 106 15.055 16.641 0.656 921 HB3 HIS 106 3HB HIS 106 16.633 15.957 1.020 922 HD1 HIS 106 HD1 HIS 106 17.547 17.496 2.765 923 HD2 HIS 106 HD2 HIS 106 15.878 19.569 -0.420 924 HE1 HIS 106 HE1 HIS 106 17.994 19.917 3.229 925 HE2 HIS 106 HE2 HIS 106 17.137 21.131 1.197 926 H HIS 107 H HIS 107 17.430 15.312 -3.089 927 HA HIS 107 HA HIS 107 20.057 14.912 -1.985 928 HB2 HIS 107 2HB HIS 107 20.520 13.531 -3.805 929 HB3 HIS 107 3HB HIS 107 18.775 13.386 -3.704 930 HD1 HIS 107 HD1 HIS 107 21.483 15.018 -5.787 931 HD2 HIS 107 HD2 HIS 107 17.422 14.201 -5.985 932 HE1 HIS 107 HE1 HIS 107 20.808 15.515 -8.154 933 HE2 HIS 107 HE2 HIS 107 18.321 15.147 -8.206 934 H HIS 108 H HIS 108 18.598 17.474 -3.690 935 HA HIS 108 HA HIS 108 20.588 18.887 -4.954 936 HB2 HIS 108 2HB HIS 108 18.226 19.631 -4.710 937 HB3 HIS 108 3HB HIS 108 18.493 19.972 -3.009 938 HD1 HIS 108 HD1 HIS 108 18.741 21.472 -6.353 939 HD2 HIS 108 HD2 HIS 108 20.249 22.276 -2.568 940 HE1 HIS 108 HE1 HIS 108 19.475 23.863 -6.413 941 HE2 HIS 108 HE2 HIS 108 20.629 24.229 -4.207 942 H HIS 109 H HIS 109 19.909 18.775 -1.457 943 HA HIS 109 HA HIS 109 21.226 18.671 0.372 944 HB2 HIS 109 2HB HIS 109 22.557 17.121 -1.137 945 HB3 HIS 109 3HB HIS 109 23.592 18.481 -1.534 946 HD1 HIS 109 HD1 HIS 109 25.350 19.172 0.241 947 HD2 HIS 109 HD2 HIS 109 22.956 15.977 1.406 948 HE1 HIS 109 HE1 HIS 109 26.494 18.156 2.235 949 HE2 HIS 109 HE2 HIS 109 25.101 16.154 2.836 950 H HIS 110 H HIS 110 22.996 19.912 1.637 951 HA HIS 110 HA HIS 110 23.782 22.485 0.454 952 HB2 HIS 110 2HB HIS 110 23.189 23.747 2.497 953 HB3 HIS 110 3HB HIS 110 21.768 23.048 1.742 954 HD1 HIS 110 HD1 HIS 110 23.873 22.849 4.835 955 HD2 HIS 110 HD2 HIS 110 20.413 21.125 3.317 956 HE1 HIS 110 HE1 HIS 110 22.806 21.658 6.767 957 HE2 HIS 110 HE2 HIS 110 20.726 20.608 5.826 Start of MODEL 10 1 H1 MET 1 1H MET 1 2.115 15.482 -14.084 2 H2 MET 1 2H MET 1 2.007 16.310 -12.611 3 H3 MET 1 3H MET 1 0.639 15.583 -13.274 4 HA MET 1 HA MET 1 3.043 14.192 -12.275 5 HB2 MET 1 2HB MET 1 0.192 14.263 -11.186 6 HB3 MET 1 3HB MET 1 1.480 13.239 -10.559 7 HG2 MET 1 2HG MET 1 1.195 15.125 -9.103 8 HG3 MET 1 3HG MET 1 2.746 15.279 -9.925 9 HE1 MET 1 3HE MET 1 1.330 17.654 -8.335 10 HE2 MET 1 1HE MET 1 1.576 19.003 -9.444 11 HE3 MET 1 2HE MET 1 2.877 17.847 -9.161 12 H GLY 2 H GLY 2 -0.139 13.958 -13.877 13 HA2 GLY 2 2HA GLY 2 -1.053 12.319 -15.230 14 HA3 GLY 2 3HA GLY 2 0.476 11.444 -15.165 15 H SER 3 H SER 3 0.963 10.331 -13.154 16 HA SER 3 HA SER 3 -1.213 9.840 -11.257 17 HB2 SER 3 2HB SER 3 0.479 7.613 -12.493 18 HB3 SER 3 3HB SER 3 -0.712 7.412 -11.206 19 HG SER 3 HG SER 3 -1.091 7.938 -13.935 20 H LYS 4 H LYS 4 -0.445 9.452 -9.176 21 HA LYS 4 HA LYS 4 2.386 8.770 -8.780 22 HB2 LYS 4 2HB LYS 4 2.107 11.061 -7.917 23 HB3 LYS 4 3HB LYS 4 0.651 10.600 -7.042 24 HG2 LYS 4 2HG LYS 4 1.930 9.181 -5.549 25 HG3 LYS 4 3HG LYS 4 3.406 9.474 -6.472 26 HD2 LYS 4 2HD LYS 4 3.460 11.796 -5.772 27 HD3 LYS 4 3HD LYS 4 1.865 11.662 -5.026 28 HE2 LYS 4 2HE LYS 4 2.692 10.201 -3.323 29 HE3 LYS 4 3HE LYS 4 4.239 10.010 -4.150 30 HZ1 LYS 4 3HZ LYS 4 4.408 11.539 -2.279 31 HZ2 LYS 4 1HZ LYS 4 3.239 12.548 -2.965 32 HZ3 LYS 4 2HZ LYS 4 4.723 12.330 -3.739 33 H ILE 5 H ILE 5 2.646 7.165 -7.074 34 HA ILE 5 HA ILE 5 0.132 6.037 -6.030 35 HB ILE 5 HB ILE 5 0.982 3.745 -6.219 36 HG12 ILE 5 2HG1 ILE 5 3.320 4.885 -7.827 37 HG13 ILE 5 3HG1 ILE 5 3.442 4.308 -6.169 38 HG21 ILE 5 1HG2 ILE 5 -0.456 4.548 -7.993 39 HG22 ILE 5 2HG2 ILE 5 0.778 3.504 -8.694 40 HG23 ILE 5 3HG2 ILE 5 0.917 5.253 -8.849 41 HD11 ILE 5 3HD1 ILE 5 2.779 2.064 -6.918 42 HD12 ILE 5 1HD1 ILE 5 4.256 2.643 -7.686 43 HD13 ILE 5 2HD1 ILE 5 2.739 2.650 -8.584 44 H ILE 6 H ILE 6 0.114 5.301 -4.042 45 HA ILE 6 HA ILE 6 2.583 5.316 -2.414 46 HB ILE 6 HB ILE 6 -0.323 5.625 -1.534 47 HG12 ILE 6 2HG1 ILE 6 0.573 7.719 -2.478 48 HG13 ILE 6 3HG1 ILE 6 0.363 7.886 -0.744 49 HG21 ILE 6 1HG2 ILE 6 0.558 5.867 0.764 50 HG22 ILE 6 2HG2 ILE 6 2.179 5.487 0.177 51 HG23 ILE 6 3HG2 ILE 6 0.901 4.273 0.090 52 HD11 ILE 6 3HD1 ILE 6 2.973 7.443 -2.186 53 HD12 ILE 6 1HD1 ILE 6 2.783 7.597 -0.436 54 HD13 ILE 6 2HD1 ILE 6 2.392 8.955 -1.492 55 H VAL 7 H VAL 7 3.249 3.358 -1.835 56 HA VAL 7 HA VAL 7 1.482 1.009 -2.219 57 HB VAL 7 HB VAL 7 4.535 1.118 -2.398 58 HG11 VAL 7 1HG1 VAL 7 2.628 -1.203 -2.855 59 HG12 VAL 7 2HG1 VAL 7 3.752 -1.024 -1.506 60 HG13 VAL 7 3HG1 VAL 7 4.367 -1.233 -3.145 61 HG21 VAL 7 3HG2 VAL 7 4.255 0.675 -4.807 62 HG22 VAL 7 1HG2 VAL 7 3.462 2.187 -4.358 63 HG23 VAL 7 2HG2 VAL 7 2.499 0.733 -4.633 64 H ILE 8 H ILE 8 0.838 0.231 -0.343 65 HA ILE 8 HA ILE 8 2.348 0.821 2.127 66 HB ILE 8 HB ILE 8 -0.637 0.400 1.664 67 HG12 ILE 8 2HG1 ILE 8 1.011 2.808 2.547 68 HG13 ILE 8 3HG1 ILE 8 0.104 2.638 1.054 69 HG21 ILE 8 1HG2 ILE 8 -0.027 -0.721 3.752 70 HG22 ILE 8 2HG2 ILE 8 -0.965 0.734 4.087 71 HG23 ILE 8 3HG2 ILE 8 0.783 0.739 4.323 72 HD11 ILE 8 3HD1 ILE 8 -1.020 4.125 2.542 73 HD12 ILE 8 1HD1 ILE 8 -1.041 2.914 3.825 74 HD13 ILE 8 2HD1 ILE 8 -1.978 2.660 2.352 75 H ILE 9 H ILE 9 3.195 -0.811 3.145 76 HA ILE 9 HA ILE 9 2.692 -3.592 2.341 77 HB ILE 9 HB ILE 9 4.867 -2.444 4.179 78 HG12 ILE 9 2HG1 ILE 9 6.438 -3.205 2.274 79 HG13 ILE 9 3HG1 ILE 9 5.009 -3.353 1.267 80 HG21 ILE 9 1HG2 ILE 9 4.273 -4.752 4.819 81 HG22 ILE 9 2HG2 ILE 9 5.889 -4.698 4.116 82 HG23 ILE 9 3HG2 ILE 9 4.534 -5.296 3.158 83 HD11 ILE 9 3HD1 ILE 9 6.238 -1.291 0.848 84 HD12 ILE 9 1HD1 ILE 9 6.020 -0.802 2.529 85 HD13 ILE 9 2HD1 ILE 9 4.620 -0.947 1.463 86 H SER 10 H SER 10 0.820 -4.173 3.371 87 HA SER 10 HA SER 10 0.304 -3.343 6.127 88 HB2 SER 10 2HB SER 10 -1.546 -3.184 4.508 89 HB3 SER 10 3HB SER 10 -1.440 -4.919 4.189 90 HG SER 10 HG SER 10 -2.999 -4.694 5.711 91 H SER 11 H SER 11 1.355 -4.520 7.572 92 HA SER 11 HA SER 11 0.896 -7.442 7.654 93 HB2 SER 11 2HB SER 11 3.191 -5.932 8.992 94 HB3 SER 11 3HB SER 11 2.986 -7.681 8.884 95 HG SER 11 HG SER 11 2.967 -7.067 6.453 96 H ASP 12 H ASP 12 -0.715 -7.768 9.067 97 HA ASP 12 HA ASP 12 -1.970 -7.874 10.922 98 HB2 ASP 12 2HB ASP 12 0.176 -6.186 12.262 99 HB3 ASP 12 3HB ASP 12 -1.186 -6.900 13.112 100 H ASP 13 H ASP 13 -0.748 -4.493 11.223 101 HA ASP 13 HA ASP 13 -3.237 -3.626 12.317 102 HB2 ASP 13 2HB ASP 13 -1.061 -2.678 13.031 103 HB3 ASP 13 3HB ASP 13 -0.837 -1.963 11.438 104 H THR 14 H THR 14 -4.875 -2.523 11.509 105 HA THR 14 HA THR 14 -5.300 -2.488 8.642 106 HB THR 14 HB THR 14 -7.142 -1.892 10.996 107 HG1 THR 14 HG1 THR 14 -6.605 -4.029 11.001 108 HG21 THR 14 3HG2 THR 14 -7.884 -2.323 8.079 109 HG22 THR 14 1HG2 THR 14 -8.040 -0.809 8.976 110 HG23 THR 14 2HG2 THR 14 -9.022 -2.204 9.422 111 H THR 15 H THR 15 -4.470 -0.117 11.073 112 HA THR 15 HA THR 15 -5.972 2.081 10.138 113 HB THR 15 HB THR 15 -3.353 2.405 11.644 114 HG1 THR 15 HG1 THR 15 -4.282 1.008 12.983 115 HG21 THR 15 3HG2 THR 15 -4.513 4.493 10.943 116 HG22 THR 15 1HG2 THR 15 -4.543 4.302 12.701 117 HG23 THR 15 2HG2 THR 15 -5.983 3.946 11.748 118 H LEU 16 H LEU 16 -2.867 0.832 9.051 119 HA LEU 16 HA LEU 16 -1.929 3.035 7.538 120 HB2 LEU 16 2HB LEU 16 -1.629 0.054 6.960 121 HB3 LEU 16 3HB LEU 16 -0.825 1.307 6.038 122 HG LEU 16 HG LEU 16 0.356 2.006 8.193 123 HD11 LEU 16 1HD1 LEU 16 0.506 0.395 10.009 124 HD12 LEU 16 2HD1 LEU 16 -0.691 -0.637 9.219 125 HD13 LEU 16 3HD1 LEU 16 -1.149 0.967 9.800 126 HD21 LEU 16 3HD2 LEU 16 2.060 0.225 8.053 127 HD22 LEU 16 1HD2 LEU 16 1.528 0.747 6.453 128 HD23 LEU 16 2HD2 LEU 16 0.943 -0.778 7.122 129 H GLU 17 H GLU 17 -4.227 0.482 6.790 130 HA GLU 17 HA GLU 17 -4.716 1.171 4.039 131 HB2 GLU 17 2HB GLU 17 -6.436 -0.525 5.879 132 HB3 GLU 17 3HB GLU 17 -6.341 -0.613 4.124 133 HG2 GLU 17 2HG GLU 17 -4.180 -1.640 4.188 134 HG3 GLU 17 3HG GLU 17 -3.965 -1.252 5.897 135 H GLU 18 H GLU 18 -6.157 1.931 7.162 136 HA GLU 18 HA GLU 18 -8.563 3.143 6.250 137 HB2 GLU 18 2HB GLU 18 -6.963 3.650 8.801 138 HB3 GLU 18 3HB GLU 18 -8.577 4.282 8.497 139 HG2 GLU 18 2HG GLU 18 -7.821 1.357 8.745 140 HG3 GLU 18 3HG GLU 18 -8.668 2.325 9.952 141 H LEU 19 H LEU 19 -5.363 4.414 7.102 142 HA LEU 19 HA LEU 19 -5.755 7.126 6.411 143 HB2 LEU 19 2HB LEU 19 -3.211 5.448 6.556 144 HB3 LEU 19 3HB LEU 19 -3.208 7.187 6.319 145 HG LEU 19 HG LEU 19 -4.338 5.801 8.784 146 HD11 LEU 19 1HD1 LEU 19 -1.671 7.217 8.478 147 HD12 LEU 19 2HD1 LEU 19 -1.914 5.478 8.667 148 HD13 LEU 19 3HD1 LEU 19 -2.345 6.571 9.979 149 HD21 LEU 19 3HD2 LEU 19 -5.401 7.954 8.337 150 HD22 LEU 19 1HD2 LEU 19 -3.821 8.740 8.250 151 HD23 LEU 19 2HD2 LEU 19 -4.385 8.042 9.771 152 H ALA 20 H ALA 20 -4.815 4.287 4.553 153 HA ALA 20 HA ALA 20 -3.942 5.428 2.147 154 HB1 ALA 20 3HB ALA 20 -3.726 3.024 2.752 155 HB2 ALA 20 1HB ALA 20 -4.411 3.254 1.144 156 HB3 ALA 20 2HB ALA 20 -5.459 2.817 2.497 157 H ARG 21 H ARG 21 -7.167 4.805 3.372 158 HA ARG 21 HA ARG 21 -8.608 5.401 0.978 159 HB2 ARG 21 2HB ARG 21 -9.506 3.943 2.751 160 HB3 ARG 21 3HB ARG 21 -9.534 5.289 3.881 161 HG2 ARG 21 2HG ARG 21 -11.367 6.314 2.794 162 HG3 ARG 21 3HG ARG 21 -11.129 5.382 1.315 163 HD2 ARG 21 2HD ARG 21 -13.118 4.669 2.650 164 HD3 ARG 21 3HD ARG 21 -11.961 3.370 2.364 165 HE ARG 21 HE ARG 21 -11.349 4.504 4.841 166 HH11 ARG 21 1HH1 ARG 21 -14.036 2.712 3.402 167 HH12 ARG 21 2HH1 ARG 21 -14.518 2.002 4.912 168 HH21 ARG 21 1HH2 ARG 21 -11.966 3.508 6.800 169 HH22 ARG 21 2HH2 ARG 21 -13.341 2.455 6.834 170 H LYS 22 H LYS 22 -7.310 7.384 3.600 171 HA LYS 22 HA LYS 22 -8.607 9.829 2.712 172 HB2 LYS 22 2HB LYS 22 -6.269 9.373 4.613 173 HB3 LYS 22 3HB LYS 22 -6.826 10.978 4.167 174 HG2 LYS 22 2HG LYS 22 -7.816 10.575 6.254 175 HG3 LYS 22 3HG LYS 22 -9.118 10.290 5.098 176 HD2 LYS 22 2HD LYS 22 -8.791 7.865 5.300 177 HD3 LYS 22 3HD LYS 22 -7.412 8.122 6.372 178 HE2 LYS 22 2HE LYS 22 -8.936 9.197 8.024 179 HE3 LYS 22 3HE LYS 22 -10.302 8.844 6.964 180 HZ1 LYS 22 3HZ LYS 22 -8.521 6.862 8.276 181 HZ2 LYS 22 1HZ LYS 22 -9.732 6.474 7.160 182 HZ3 LYS 22 2HZ LYS 22 -10.141 7.170 8.645 183 H ILE 23 H ILE 23 -5.497 8.204 2.181 184 HA ILE 23 HA ILE 23 -4.046 10.224 0.888 185 HB ILE 23 HB ILE 23 -3.877 7.187 0.605 186 HG12 ILE 23 2HG1 ILE 23 -2.077 9.085 2.184 187 HG13 ILE 23 3HG1 ILE 23 -3.396 8.165 2.887 188 HG21 ILE 23 1HG2 ILE 23 -2.872 8.209 -1.395 189 HG22 ILE 23 2HG2 ILE 23 -1.635 7.474 -0.376 190 HG23 ILE 23 3HG2 ILE 23 -1.849 9.225 -0.376 191 HD11 ILE 23 3HD1 ILE 23 -1.285 7.109 3.353 192 HD12 ILE 23 1HD1 ILE 23 -0.902 7.019 1.633 193 HD13 ILE 23 2HD1 ILE 23 -2.242 6.078 2.294 194 H LYS 24 H LYS 24 -6.040 7.602 -0.539 195 HA LYS 24 HA LYS 24 -5.594 8.147 -3.242 196 HB2 LYS 24 2HB LYS 24 -7.599 6.804 -3.711 197 HB3 LYS 24 3HB LYS 24 -6.607 6.053 -2.466 198 HG2 LYS 24 2HG LYS 24 -8.143 6.537 -0.749 199 HG3 LYS 24 3HG LYS 24 -8.943 7.800 -1.687 200 HD2 LYS 24 2HD LYS 24 -10.353 5.788 -1.495 201 HD3 LYS 24 3HD LYS 24 -9.925 6.122 -3.172 202 HE2 LYS 24 2HE LYS 24 -8.154 4.376 -3.027 203 HE3 LYS 24 3HE LYS 24 -8.682 4.017 -1.379 204 HZ1 LYS 24 3HZ LYS 24 -10.882 3.470 -2.273 205 HZ2 LYS 24 1HZ LYS 24 -9.675 2.486 -2.926 206 HZ3 LYS 24 2HZ LYS 24 -10.321 3.748 -3.844 207 H ASP 25 H ASP 25 -7.647 9.832 -1.014 208 HA ASP 25 HA ASP 25 -9.600 10.927 -2.748 209 HB2 ASP 25 2HB ASP 25 -9.838 10.802 -0.277 210 HB3 ASP 25 3HB ASP 25 -8.571 12.007 -0.088 211 H GLU 26 H GLU 26 -6.289 11.744 -2.250 212 HA GLU 26 HA GLU 26 -6.389 14.459 -3.221 213 HB2 GLU 26 2HB GLU 26 -4.017 12.570 -2.909 214 HB3 GLU 26 3HB GLU 26 -3.920 14.307 -3.161 215 HG2 GLU 26 2HG GLU 26 -5.097 12.924 -0.736 216 HG3 GLU 26 3HG GLU 26 -3.524 13.712 -0.814 217 H GLY 27 H GLY 27 -6.753 11.525 -4.786 218 HA2 GLY 27 2HA GLY 27 -7.295 11.278 -7.033 219 HA3 GLY 27 3HA GLY 27 -6.505 12.800 -7.409 220 H LEU 28 H LEU 28 -5.031 10.160 -5.607 221 HA LEU 28 HA LEU 28 -3.354 9.390 -7.922 222 HB2 LEU 28 2HB LEU 28 -1.369 9.253 -6.614 223 HB3 LEU 28 3HB LEU 28 -2.044 10.832 -6.293 224 HG LEU 28 HG LEU 28 -2.269 8.456 -4.387 225 HD11 LEU 28 1HD1 LEU 28 0.078 9.156 -4.639 226 HD12 LEU 28 2HD1 LEU 28 -0.548 9.532 -3.035 227 HD13 LEU 28 3HD1 LEU 28 -0.369 10.817 -4.233 228 HD21 LEU 28 3HD2 LEU 28 -2.889 11.387 -3.950 229 HD22 LEU 28 1HD2 LEU 28 -2.945 10.110 -2.731 230 HD23 LEU 28 2HD2 LEU 28 -4.066 10.076 -4.087 231 H GLU 29 H GLU 29 -2.749 7.167 -7.981 232 HA GLU 29 HA GLU 29 -4.720 5.389 -6.882 233 HB2 GLU 29 2HB GLU 29 -3.853 5.176 -9.199 234 HB3 GLU 29 3HB GLU 29 -2.247 4.831 -8.572 235 HG2 GLU 29 2HG GLU 29 -2.907 2.693 -7.752 236 HG3 GLU 29 3HG GLU 29 -4.620 3.062 -7.924 237 H VAL 30 H VAL 30 -4.423 3.768 -5.335 238 HA VAL 30 HA VAL 30 -1.860 3.778 -3.827 239 HB VAL 30 HB VAL 30 -4.668 3.455 -2.640 240 HG11 VAL 30 1HG1 VAL 30 -3.530 3.491 -0.439 241 HG12 VAL 30 2HG1 VAL 30 -1.961 3.531 -1.249 242 HG13 VAL 30 3HG1 VAL 30 -3.004 2.116 -1.416 243 HG21 VAL 30 3HG2 VAL 30 -4.207 5.792 -3.313 244 HG22 VAL 30 1HG2 VAL 30 -2.719 5.778 -2.363 245 HG23 VAL 30 2HG2 VAL 30 -4.285 5.637 -1.556 246 H TYR 31 H TYR 31 -0.902 1.866 -3.636 247 HA TYR 31 HA TYR 31 -2.312 -0.648 -4.317 248 HB2 TYR 31 2HB TYR 31 0.654 0.094 -4.336 249 HB3 TYR 31 3HB TYR 31 0.088 -1.565 -4.468 250 HD1 TYR 31 HD1 TYR 31 -1.032 -2.351 -6.521 251 HD2 TYR 31 HD2 TYR 31 0.456 1.639 -6.237 252 HE1 TYR 31 HE1 TYR 31 -1.173 -2.121 -8.960 253 HE2 TYR 31 HE2 TYR 31 0.301 1.855 -8.676 254 HH TYR 31 HH TYR 31 -1.438 -0.136 -10.607 255 H ILE 32 H ILE 32 -2.358 -2.269 -2.763 256 HA ILE 32 HA ILE 32 -0.969 -1.741 -0.187 257 HB ILE 32 HB ILE 32 -3.608 -3.272 -0.383 258 HG12 ILE 32 2HG1 ILE 32 -3.986 -0.864 -1.070 259 HG13 ILE 32 3HG1 ILE 32 -4.848 -1.322 0.391 260 HG21 ILE 32 1HG2 ILE 32 -3.686 -2.897 2.068 261 HG22 ILE 32 2HG2 ILE 32 -2.135 -2.058 1.988 262 HG23 ILE 32 3HG2 ILE 32 -2.233 -3.773 1.584 263 HD11 ILE 32 3HD1 ILE 32 -3.910 0.916 0.530 264 HD12 ILE 32 1HD1 ILE 32 -2.287 0.272 0.290 265 HD13 ILE 32 2HD1 ILE 32 -3.199 -0.144 1.745 266 H LEU 33 H LEU 33 0.671 -3.174 -0.060 267 HA LEU 33 HA LEU 33 0.543 -5.796 -1.352 268 HB2 LEU 33 2HB LEU 33 2.852 -4.409 0.074 269 HB3 LEU 33 3HB LEU 33 2.952 -5.967 -0.733 270 HG LEU 33 HG LEU 33 2.560 -3.247 -2.017 271 HD11 LEU 33 1HD1 LEU 33 4.873 -3.785 -1.436 272 HD12 LEU 33 2HD1 LEU 33 4.656 -3.748 -3.182 273 HD13 LEU 33 3HD1 LEU 33 4.773 -5.297 -2.342 274 HD21 LEU 33 3HD2 LEU 33 1.080 -4.785 -3.169 275 HD22 LEU 33 1HD2 LEU 33 2.393 -5.948 -3.377 276 HD23 LEU 33 2HD2 LEU 33 2.453 -4.384 -4.192 277 H LEU 34 H LEU 34 -0.384 -7.340 -0.178 278 HA LEU 34 HA LEU 34 -0.541 -7.165 2.722 279 HB2 LEU 34 2HB LEU 34 -1.957 -8.769 0.601 280 HB3 LEU 34 3HB LEU 34 -1.936 -9.408 2.230 281 HG LEU 34 HG LEU 34 -4.017 -8.137 1.745 282 HD11 LEU 34 1HD1 LEU 34 -2.303 -6.809 3.870 283 HD12 LEU 34 2HD1 LEU 34 -3.284 -8.263 4.070 284 HD13 LEU 34 3HD1 LEU 34 -4.064 -6.717 3.752 285 HD21 LEU 34 3HD2 LEU 34 -2.233 -5.706 1.501 286 HD22 LEU 34 1HD2 LEU 34 -3.997 -5.729 1.448 287 HD23 LEU 34 2HD2 LEU 34 -3.069 -6.507 0.171 288 H LYS 35 H LYS 35 0.819 -8.140 4.026 289 HA LYS 35 HA LYS 35 2.047 -10.722 3.422 290 HB2 LYS 35 2HB LYS 35 3.646 -9.072 2.514 291 HB3 LYS 35 3HB LYS 35 3.649 -8.192 4.033 292 HG2 LYS 35 2HG LYS 35 4.780 -10.044 5.158 293 HG3 LYS 35 3HG LYS 35 4.647 -11.042 3.705 294 HD2 LYS 35 2HD LYS 35 6.907 -10.131 3.897 295 HD3 LYS 35 3HD LYS 35 6.095 -9.464 2.481 296 HE2 LYS 35 2HE LYS 35 7.319 -7.695 3.569 297 HE3 LYS 35 3HE LYS 35 5.601 -7.391 3.821 298 HZ1 LYS 35 3HZ LYS 35 5.830 -8.347 6.058 299 HZ2 LYS 35 1HZ LYS 35 6.860 -7.021 5.839 300 HZ3 LYS 35 2HZ LYS 35 7.483 -8.589 5.790 301 H ASP 36 H ASP 36 1.482 -11.852 5.199 302 HA ASP 36 HA ASP 36 2.084 -10.764 7.887 303 HB2 ASP 36 2HB ASP 36 -0.410 -10.633 7.429 304 HB3 ASP 36 3HB ASP 36 -0.432 -12.375 7.224 305 H LYS 37 H LYS 37 2.111 -12.664 9.520 306 HA LYS 37 HA LYS 37 3.903 -14.697 8.693 307 HB2 LYS 37 2HB LYS 37 2.172 -14.897 11.188 308 HB3 LYS 37 3HB LYS 37 3.759 -15.592 10.910 309 HG2 LYS 37 2HG LYS 37 4.423 -13.871 12.244 310 HG3 LYS 37 3HG LYS 37 4.422 -12.970 10.727 311 HD2 LYS 37 2HD LYS 37 2.217 -12.043 11.223 312 HD3 LYS 37 3HD LYS 37 2.055 -13.085 12.639 313 HE2 LYS 37 2HE LYS 37 4.055 -11.894 13.629 314 HE3 LYS 37 3HE LYS 37 3.968 -10.761 12.277 315 HZ1 LYS 37 3HZ LYS 37 1.779 -11.266 14.228 316 HZ2 LYS 37 1HZ LYS 37 1.736 -10.149 12.959 317 HZ3 LYS 37 2HZ LYS 37 2.813 -9.932 14.245 318 H ASP 38 H ASP 38 0.412 -14.513 8.793 319 HA ASP 38 HA ASP 38 0.143 -17.303 7.856 320 HB2 ASP 38 2HB ASP 38 -0.797 -17.318 10.060 321 HB3 ASP 38 3HB ASP 38 -1.621 -15.785 9.806 322 H GLU 39 H GLU 39 -0.430 -17.314 5.868 323 HA GLU 39 HA GLU 39 -1.406 -15.127 4.364 324 HB2 GLU 39 2HB GLU 39 -1.438 -16.745 2.468 325 HB3 GLU 39 3HB GLU 39 0.075 -16.760 3.366 326 HG2 GLU 39 2HG GLU 39 -0.610 -18.816 4.528 327 HG3 GLU 39 3HG GLU 39 -2.149 -18.798 3.666 328 H LYS 40 H LYS 40 -3.189 -17.498 6.186 329 HA LYS 40 HA LYS 40 -5.466 -17.845 4.503 330 HB2 LYS 40 2HB LYS 40 -4.935 -19.390 6.369 331 HB3 LYS 40 3HB LYS 40 -5.262 -18.114 7.536 332 HG2 LYS 40 2HG LYS 40 -7.661 -18.084 6.548 333 HG3 LYS 40 3HG LYS 40 -7.229 -19.609 5.776 334 HD2 LYS 40 2HD LYS 40 -7.252 -19.043 8.765 335 HD3 LYS 40 3HD LYS 40 -8.424 -20.019 7.880 336 HE2 LYS 40 2HE LYS 40 -6.690 -21.676 7.373 337 HE3 LYS 40 3HE LYS 40 -5.474 -20.678 8.177 338 HZ1 LYS 40 3HZ LYS 40 -7.842 -21.910 9.483 339 HZ2 LYS 40 1HZ LYS 40 -6.692 -20.941 10.257 340 HZ3 LYS 40 2HZ LYS 40 -6.246 -22.446 9.625 341 H ARG 41 H ARG 41 -5.130 -15.882 7.481 342 HA ARG 41 HA ARG 41 -7.599 -14.449 7.055 343 HB2 ARG 41 2HB ARG 41 -6.708 -14.995 9.331 344 HB3 ARG 41 3HB ARG 41 -5.365 -13.894 9.051 345 HG2 ARG 41 2HG ARG 41 -6.918 -11.998 8.927 346 HG3 ARG 41 3HG ARG 41 -8.290 -13.088 9.124 347 HD2 ARG 41 2HD ARG 41 -7.432 -13.713 11.374 348 HD3 ARG 41 3HD ARG 41 -6.108 -12.561 11.171 349 HE ARG 41 HE ARG 41 -8.852 -11.994 11.837 350 HH11 ARG 41 1HH1 ARG 41 -5.932 -10.556 10.455 351 HH12 ARG 41 2HH1 ARG 41 -6.424 -8.937 10.831 352 HH21 ARG 41 1HH2 ARG 41 -9.456 -9.879 12.325 353 HH22 ARG 41 2HH2 ARG 41 -8.425 -8.560 11.889 354 H LEU 42 H LEU 42 -4.293 -14.004 6.161 355 HA LEU 42 HA LEU 42 -4.133 -11.249 5.681 356 HB2 LEU 42 2HB LEU 42 -2.231 -12.875 5.629 357 HB3 LEU 42 3HB LEU 42 -2.877 -13.562 4.149 358 HG LEU 42 HG LEU 42 -2.503 -11.325 3.030 359 HD11 LEU 42 1HD1 LEU 42 -1.002 -9.712 4.103 360 HD12 LEU 42 2HD1 LEU 42 -1.048 -10.648 5.595 361 HD13 LEU 42 3HD1 LEU 42 -2.518 -9.887 4.984 362 HD21 LEU 42 3HD2 LEU 42 -0.027 -12.670 4.164 363 HD22 LEU 42 1HD2 LEU 42 -0.088 -11.628 2.737 364 HD23 LEU 42 2HD2 LEU 42 -0.924 -13.179 2.728 365 H GLU 43 H GLU 43 -5.517 -13.897 3.783 366 HA GLU 43 HA GLU 43 -5.837 -12.393 1.363 367 HB2 GLU 43 2HB GLU 43 -5.397 -14.870 1.486 368 HB3 GLU 43 3HB GLU 43 -7.033 -15.087 2.100 369 HG2 GLU 43 2HG GLU 43 -7.885 -14.027 -0.022 370 HG3 GLU 43 3HG GLU 43 -6.229 -14.032 -0.627 371 H GLU 44 H GLU 44 -8.000 -13.205 4.108 372 HA GLU 44 HA GLU 44 -10.415 -12.390 2.857 373 HB2 GLU 44 2HB GLU 44 -11.477 -12.486 4.998 374 HB3 GLU 44 3HB GLU 44 -10.274 -13.759 4.982 375 HG2 GLU 44 2HG GLU 44 -9.815 -12.988 7.069 376 HG3 GLU 44 3HG GLU 44 -8.825 -11.834 6.198 377 H LYS 45 H LYS 45 -7.888 -10.641 4.537 378 HA LYS 45 HA LYS 45 -9.152 -8.112 4.690 379 HB2 LYS 45 2HB LYS 45 -7.189 -8.604 6.068 380 HB3 LYS 45 3HB LYS 45 -6.190 -8.819 4.634 381 HG2 LYS 45 2HG LYS 45 -5.733 -6.647 5.651 382 HG3 LYS 45 3HG LYS 45 -6.474 -6.435 4.067 383 HD2 LYS 45 2HD LYS 45 -7.529 -4.828 5.443 384 HD3 LYS 45 3HD LYS 45 -8.710 -6.135 5.329 385 HE2 LYS 45 2HE LYS 45 -8.612 -5.384 7.616 386 HE3 LYS 45 3HE LYS 45 -7.865 -6.979 7.545 387 HZ1 LYS 45 3HZ LYS 45 -5.686 -5.823 7.446 388 HZ2 LYS 45 1HZ LYS 45 -6.528 -5.545 8.889 389 HZ3 LYS 45 2HZ LYS 45 -6.481 -4.357 7.692 390 H ILE 46 H ILE 46 -7.392 -9.751 2.111 391 HA ILE 46 HA ILE 46 -6.954 -7.615 0.313 392 HB ILE 46 HB ILE 46 -7.416 -10.595 -0.158 393 HG12 ILE 46 2HG1 ILE 46 -4.871 -8.914 -0.177 394 HG13 ILE 46 3HG1 ILE 46 -5.344 -10.076 1.054 395 HG21 ILE 46 1HG2 ILE 46 -8.104 -9.483 -2.216 396 HG22 ILE 46 2HG2 ILE 46 -6.586 -10.341 -2.470 397 HG23 ILE 46 3HG2 ILE 46 -6.584 -8.588 -2.274 398 HD11 ILE 46 3HD1 ILE 46 -3.616 -10.976 -0.353 399 HD12 ILE 46 1HD1 ILE 46 -4.591 -10.707 -1.798 400 HD13 ILE 46 2HD1 ILE 46 -5.107 -11.886 -0.588 401 H GLN 47 H GLN 47 -9.756 -9.718 0.916 402 HA GLN 47 HA GLN 47 -11.380 -8.840 -1.256 403 HB2 GLN 47 2HB GLN 47 -12.438 -9.971 1.364 404 HB3 GLN 47 3HB GLN 47 -13.191 -10.056 -0.221 405 HG2 GLN 47 2HG GLN 47 -10.780 -11.591 0.768 406 HG3 GLN 47 3HG GLN 47 -12.359 -12.237 0.339 407 HE21 GLN 47 1HE2 GLN 47 -9.266 -11.246 -0.828 408 HE22 GLN 47 2HE2 GLN 47 -9.502 -11.699 -2.479 409 H LYS 48 H LYS 48 -11.159 -7.929 2.181 410 HA LYS 48 HA LYS 48 -13.225 -6.040 2.400 411 HB2 LYS 48 2HB LYS 48 -10.509 -5.999 3.795 412 HB3 LYS 48 3HB LYS 48 -11.934 -5.120 4.334 413 HG2 LYS 48 2HG LYS 48 -11.752 -8.140 4.157 414 HG3 LYS 48 3HG LYS 48 -11.458 -7.208 5.625 415 HD2 LYS 48 2HD LYS 48 -13.741 -6.474 5.731 416 HD3 LYS 48 3HD LYS 48 -14.089 -7.071 4.105 417 HE2 LYS 48 2HE LYS 48 -15.020 -8.518 5.911 418 HE3 LYS 48 3HE LYS 48 -13.900 -9.372 4.857 419 HZ1 LYS 48 3HZ LYS 48 -12.169 -8.989 6.578 420 HZ2 LYS 48 1HZ LYS 48 -13.440 -9.974 7.096 421 HZ3 LYS 48 2HZ LYS 48 -13.363 -8.361 7.593 422 H LEU 49 H LEU 49 -9.891 -5.625 1.283 423 HA LEU 49 HA LEU 49 -9.975 -2.752 1.140 424 HB2 LEU 49 2HB LEU 49 -7.958 -4.781 0.132 425 HB3 LEU 49 3HB LEU 49 -7.708 -3.043 0.067 426 HG LEU 49 HG LEU 49 -8.115 -4.601 2.647 427 HD11 LEU 49 1HD1 LEU 49 -6.052 -5.310 1.559 428 HD12 LEU 49 2HD1 LEU 49 -5.708 -4.368 3.005 429 HD13 LEU 49 3HD1 LEU 49 -5.525 -3.632 1.409 430 HD21 LEU 49 3HD2 LEU 49 -7.325 -2.563 3.748 431 HD22 LEU 49 1HD2 LEU 49 -8.777 -2.245 2.799 432 HD23 LEU 49 2HD2 LEU 49 -7.199 -1.744 2.187 433 H LYS 50 H LYS 50 -10.356 -5.402 -1.243 434 HA LYS 50 HA LYS 50 -10.393 -3.745 -3.549 435 HB2 LYS 50 2HB LYS 50 -11.582 -6.507 -3.055 436 HB3 LYS 50 3HB LYS 50 -11.571 -5.716 -4.628 437 HG2 LYS 50 2HG LYS 50 -9.098 -5.682 -4.609 438 HG3 LYS 50 3HG LYS 50 -9.100 -6.462 -3.025 439 HD2 LYS 50 2HD LYS 50 -8.667 -8.122 -4.783 440 HD3 LYS 50 3HD LYS 50 -10.217 -8.451 -4.009 441 HE2 LYS 50 2HE LYS 50 -11.390 -7.393 -5.909 442 HE3 LYS 50 3HE LYS 50 -9.839 -7.037 -6.674 443 HZ1 LYS 50 3HZ LYS 50 -10.826 -9.015 -7.614 444 HZ2 LYS 50 1HZ LYS 50 -10.906 -9.752 -6.092 445 HZ3 LYS 50 2HZ LYS 50 -9.407 -9.418 -6.793 446 H SER 51 H SER 51 -12.946 -4.825 -1.298 447 HA SER 51 HA SER 51 -15.163 -3.607 -2.497 448 HB2 SER 51 2HB SER 51 -14.593 -3.897 0.484 449 HB3 SER 51 3HB SER 51 -16.181 -3.629 -0.238 450 HG SER 51 HG SER 51 -14.918 -5.939 0.169 451 H GLN 52 H GLN 52 -12.618 -2.203 -0.478 452 HA GLN 52 HA GLN 52 -13.763 0.470 -0.446 453 HB2 GLN 52 2HB GLN 52 -11.013 -0.508 0.410 454 HB3 GLN 52 3HB GLN 52 -11.651 1.107 0.703 455 HG2 GLN 52 2HG GLN 52 -13.387 0.192 2.155 456 HG3 GLN 52 3HG GLN 52 -12.826 -1.450 1.823 457 HE21 GLN 52 1HE2 GLN 52 -10.827 -2.117 2.687 458 HE22 GLN 52 2HE2 GLN 52 -10.082 -1.289 4.001 459 H GLY 53 H GLY 53 -12.102 -1.294 -2.783 460 HA2 GLY 53 2HA GLY 53 -11.577 -0.645 -4.933 461 HA3 GLY 53 3HA GLY 53 -11.863 1.029 -4.490 462 H PHE 54 H PHE 54 -9.587 -1.364 -3.144 463 HA PHE 54 HA PHE 54 -7.309 0.407 -3.818 464 HB2 PHE 54 2HB PHE 54 -7.582 -1.828 -1.760 465 HB3 PHE 54 3HB PHE 54 -6.034 -1.097 -2.173 466 HD1 PHE 54 HD2 PHE 54 -5.924 1.522 -1.998 467 HD2 PHE 54 HD1 PHE 54 -8.802 -0.894 0.046 468 HE1 PHE 54 HE2 PHE 54 -6.288 3.319 -0.366 469 HE2 PHE 54 HE1 PHE 54 -9.159 0.917 1.677 470 HZ PHE 54 HZ PHE 54 -7.900 3.019 1.469 471 H GLU 55 H GLU 55 -5.618 -0.317 -5.075 472 HA GLU 55 HA GLU 55 -5.956 -2.790 -6.554 473 HB2 GLU 55 2HB GLU 55 -4.829 -0.399 -7.293 474 HB3 GLU 55 3HB GLU 55 -3.382 -1.276 -6.830 475 HG2 GLU 55 2HG GLU 55 -5.371 -1.988 -9.002 476 HG3 GLU 55 3HG GLU 55 -3.674 -1.557 -9.190 477 H VAL 56 H VAL 56 -5.765 -4.412 -5.139 478 HA VAL 56 HA VAL 56 -3.675 -4.464 -3.086 479 HB VAL 56 HB VAL 56 -6.065 -6.316 -3.495 480 HG11 VAL 56 1HG1 VAL 56 -5.663 -7.001 -1.158 481 HG12 VAL 56 2HG1 VAL 56 -4.215 -5.994 -1.126 482 HG13 VAL 56 3HG1 VAL 56 -4.294 -7.388 -2.204 483 HG21 VAL 56 3HG2 VAL 56 -7.170 -5.063 -1.700 484 HG22 VAL 56 1HG2 VAL 56 -6.789 -3.998 -3.057 485 HG23 VAL 56 2HG2 VAL 56 -5.793 -3.964 -1.601 486 H ARG 57 H ARG 57 -1.966 -5.866 -3.148 487 HA ARG 57 HA ARG 57 -1.960 -8.091 -5.087 488 HB2 ARG 57 2HB ARG 57 -0.738 -6.009 -5.960 489 HB3 ARG 57 3HB ARG 57 0.396 -6.205 -4.636 490 HG2 ARG 57 2HG ARG 57 1.543 -7.249 -6.345 491 HG3 ARG 57 3HG ARG 57 0.715 -8.629 -5.629 492 HD2 ARG 57 2HD ARG 57 -0.156 -7.090 -8.097 493 HD3 ARG 57 3HD ARG 57 0.601 -8.682 -8.077 494 HE ARG 57 HE ARG 57 -1.420 -9.526 -6.958 495 HH11 ARG 57 1HH1 ARG 57 -1.725 -6.474 -8.713 496 HH12 ARG 57 2HH1 ARG 57 -3.433 -6.645 -8.949 497 HH21 ARG 57 1HH2 ARG 57 -3.677 -9.720 -7.287 498 HH22 ARG 57 2HH2 ARG 57 -4.527 -8.474 -8.146 499 H LYS 58 H LYS 58 -1.247 -9.948 -4.168 500 HA LYS 58 HA LYS 58 -0.435 -9.980 -1.357 501 HB2 LYS 58 2HB LYS 58 -2.217 -11.524 -2.154 502 HB3 LYS 58 3HB LYS 58 -1.097 -12.240 -3.303 503 HG2 LYS 58 2HG LYS 58 0.309 -12.984 -1.318 504 HG3 LYS 58 3HG LYS 58 -1.010 -12.449 -0.272 505 HD2 LYS 58 2HD LYS 58 -1.204 -14.576 -2.443 506 HD3 LYS 58 3HD LYS 58 -1.127 -14.886 -0.711 507 HE2 LYS 58 2HE LYS 58 -3.292 -13.823 -0.379 508 HE3 LYS 58 3HE LYS 58 -3.355 -13.337 -2.075 509 HZ1 LYS 58 3HZ LYS 58 -3.385 -15.698 -2.689 510 HZ2 LYS 58 1HZ LYS 58 -4.696 -15.297 -1.695 511 HZ3 LYS 58 2HZ LYS 58 -3.373 -16.128 -1.055 512 H VAL 59 H VAL 59 1.633 -10.436 -0.716 513 HA VAL 59 HA VAL 59 3.679 -11.084 -2.787 514 HB VAL 59 HB VAL 59 5.293 -9.667 -1.461 515 HG11 VAL 59 1HG1 VAL 59 4.511 -7.465 -2.263 516 HG12 VAL 59 2HG1 VAL 59 2.897 -8.131 -2.539 517 HG13 VAL 59 3HG1 VAL 59 4.266 -8.717 -3.488 518 HG21 VAL 59 3HG2 VAL 59 4.124 -9.724 0.694 519 HG22 VAL 59 1HG2 VAL 59 2.796 -8.775 0.023 520 HG23 VAL 59 2HG2 VAL 59 4.394 -8.061 0.190 521 H LYS 60 H LYS 60 5.732 -11.935 -1.747 522 HA LYS 60 HA LYS 60 5.065 -13.952 0.275 523 HB2 LYS 60 2HB LYS 60 7.559 -13.677 -1.460 524 HB3 LYS 60 3HB LYS 60 7.249 -15.005 -0.355 525 HG2 LYS 60 2HG LYS 60 5.414 -14.398 -2.692 526 HG3 LYS 60 3HG LYS 60 6.846 -15.403 -2.867 527 HD2 LYS 60 2HD LYS 60 5.021 -16.907 -2.598 528 HD3 LYS 60 3HD LYS 60 5.875 -16.929 -1.062 529 HE2 LYS 60 2HE LYS 60 4.146 -15.457 -0.094 530 HE3 LYS 60 3HE LYS 60 3.315 -15.404 -1.647 531 HZ1 LYS 60 3HZ LYS 60 3.790 -17.885 -0.075 532 HZ2 LYS 60 1HZ LYS 60 2.879 -17.755 -1.494 533 HZ3 LYS 60 2HZ LYS 60 2.345 -17.015 -0.066 534 H ASP 61 H ASP 61 7.913 -11.826 -0.321 535 HA ASP 61 HA ASP 61 8.260 -11.498 2.612 536 HB2 ASP 61 2HB ASP 61 9.636 -13.426 1.735 537 HB3 ASP 61 3HB ASP 61 10.467 -12.309 0.662 538 H ASP 62 H ASP 62 10.198 -9.829 2.995 539 HA ASP 62 HA ASP 62 9.506 -7.345 1.803 540 HB2 ASP 62 2HB ASP 62 11.908 -8.036 3.554 541 HB3 ASP 62 3HB ASP 62 11.315 -6.411 3.208 542 H ASP 63 H ASP 63 12.309 -9.484 1.380 543 HA ASP 63 HA ASP 63 13.685 -8.195 -0.637 544 HB2 ASP 63 2HB ASP 63 13.096 -11.174 -0.376 545 HB3 ASP 63 3HB ASP 63 14.151 -10.536 -1.635 546 H ASP 64 H ASP 64 10.597 -9.912 -0.943 547 HA ASP 64 HA ASP 64 10.357 -9.570 -3.802 548 HB2 ASP 64 2HB ASP 64 8.254 -10.339 -1.719 549 HB3 ASP 64 3HB ASP 64 7.983 -10.360 -3.460 550 H ILE 65 H ILE 65 9.299 -7.808 -0.950 551 HA ILE 65 HA ILE 65 7.490 -5.959 -2.130 552 HB ILE 65 HB ILE 65 9.310 -5.653 0.300 553 HG12 ILE 65 2HG1 ILE 65 7.430 -7.445 0.294 554 HG13 ILE 65 3HG1 ILE 65 7.506 -6.355 1.666 555 HG21 ILE 65 1HG2 ILE 65 8.761 -3.412 -0.482 556 HG22 ILE 65 2HG2 ILE 65 7.883 -3.750 1.006 557 HG23 ILE 65 3HG2 ILE 65 7.040 -3.811 -0.543 558 HD11 ILE 65 3HD1 ILE 65 5.257 -6.686 1.056 559 HD12 ILE 65 1HD1 ILE 65 5.577 -6.269 -0.624 560 HD13 ILE 65 2HD1 ILE 65 5.684 -5.034 0.632 561 H ASP 66 H ASP 66 10.951 -5.604 -1.320 562 HA ASP 66 HA ASP 66 11.451 -3.077 -2.385 563 HB2 ASP 66 2HB ASP 66 12.933 -4.198 -0.790 564 HB3 ASP 66 3HB ASP 66 13.255 -5.495 -1.938 565 H LYS 67 H LYS 67 11.616 -6.280 -3.793 566 HA LYS 67 HA LYS 67 12.628 -5.628 -6.377 567 HB2 LYS 67 2HB LYS 67 12.747 -7.922 -5.505 568 HB3 LYS 67 3HB LYS 67 10.998 -8.007 -5.368 569 HG2 LYS 67 2HG LYS 67 11.772 -9.314 -7.282 570 HG3 LYS 67 3HG LYS 67 10.790 -7.954 -7.827 571 HD2 LYS 67 2HD LYS 67 12.726 -8.247 -9.287 572 HD3 LYS 67 3HD LYS 67 12.851 -6.714 -8.421 573 HE2 LYS 67 2HE LYS 67 14.439 -7.748 -6.841 574 HE3 LYS 67 3HE LYS 67 14.300 -9.285 -7.698 575 HZ1 LYS 67 3HZ LYS 67 16.265 -8.110 -8.408 576 HZ2 LYS 67 1HZ LYS 67 15.359 -6.744 -8.825 577 HZ3 LYS 67 2HZ LYS 67 15.166 -8.181 -9.690 578 H TRP 68 H TRP 68 9.396 -5.884 -4.991 579 HA TRP 68 HA TRP 68 7.823 -5.802 -7.306 580 HB2 TRP 68 2HB TRP 68 7.147 -6.360 -4.841 581 HB3 TRP 68 3HB TRP 68 6.912 -4.629 -4.642 582 HD1 TRP 68 HD1 TRP 68 5.428 -7.692 -6.342 583 HE1 TRP 68 HE1 TRP 68 3.090 -7.125 -7.236 584 HE3 TRP 68 HE3 TRP 68 5.401 -2.653 -5.441 585 HZ2 TRP 68 HZ2 TRP 68 1.438 -4.864 -7.493 586 HZ3 TRP 68 HZ3 TRP 68 3.388 -1.362 -6.028 587 HH2 TRP 68 HH2 TRP 68 1.455 -2.454 -7.036 588 H ILE 69 H ILE 69 9.038 -3.200 -5.227 589 HA ILE 69 HA ILE 69 7.608 -1.093 -6.607 590 HB ILE 69 HB ILE 69 9.591 -1.163 -4.323 591 HG12 ILE 69 2HG1 ILE 69 7.734 0.214 -3.221 592 HG13 ILE 69 3HG1 ILE 69 6.780 -0.037 -4.669 593 HG21 ILE 69 1HG2 ILE 69 8.863 1.413 -5.756 594 HG22 ILE 69 2HG2 ILE 69 10.473 0.701 -5.634 595 HG23 ILE 69 3HG2 ILE 69 9.669 1.312 -4.188 596 HD11 ILE 69 3HD1 ILE 69 6.151 -1.528 -2.841 597 HD12 ILE 69 1HD1 ILE 69 7.775 -2.212 -2.833 598 HD13 ILE 69 2HD1 ILE 69 6.732 -2.431 -4.240 599 H ASP 70 H ASP 70 10.853 -2.453 -6.627 600 HA ASP 70 HA ASP 70 12.187 -0.594 -8.245 601 HB2 ASP 70 2HB ASP 70 13.373 -2.335 -6.972 602 HB3 ASP 70 3HB ASP 70 12.638 -3.600 -7.947 603 H LYS 71 H LYS 71 10.329 -3.521 -9.133 604 HA LYS 71 HA LYS 71 10.742 -3.162 -11.954 605 HB2 LYS 71 2HB LYS 71 9.278 -5.081 -12.308 606 HB3 LYS 71 3HB LYS 71 10.443 -5.427 -11.046 607 HG2 LYS 71 2HG LYS 71 8.569 -6.369 -10.110 608 HG3 LYS 71 3HG LYS 71 8.450 -4.748 -9.441 609 HD2 LYS 71 2HD LYS 71 6.251 -5.253 -10.142 610 HD3 LYS 71 3HD LYS 71 6.873 -4.221 -11.426 611 HE2 LYS 71 2HE LYS 71 6.704 -7.260 -11.534 612 HE3 LYS 71 3HE LYS 71 5.570 -6.147 -12.293 613 HZ1 LYS 71 3HZ LYS 71 7.461 -5.284 -13.619 614 HZ2 LYS 71 1HZ LYS 71 7.097 -6.910 -13.928 615 HZ3 LYS 71 2HZ LYS 71 8.433 -6.515 -12.977 616 H ILE 72 H ILE 72 8.306 -2.059 -9.659 617 HA ILE 72 HA ILE 72 6.331 -1.249 -11.549 618 HB ILE 72 HB ILE 72 6.885 -0.429 -8.682 619 HG12 ILE 72 2HG1 ILE 72 5.778 -2.604 -9.085 620 HG13 ILE 72 3HG1 ILE 72 4.715 -1.498 -8.233 621 HG21 ILE 72 1HG2 ILE 72 4.711 0.825 -10.398 622 HG22 ILE 72 2HG2 ILE 72 6.085 1.654 -9.663 623 HG23 ILE 72 3HG2 ILE 72 4.829 0.959 -8.641 624 HD11 ILE 72 3HD1 ILE 72 3.510 -1.066 -10.324 625 HD12 ILE 72 1HD1 ILE 72 3.499 -2.767 -9.863 626 HD13 ILE 72 2HD1 ILE 72 4.566 -2.215 -11.153 627 H LYS 73 H LYS 73 9.221 0.378 -10.284 628 HA LYS 73 HA LYS 73 8.872 2.886 -11.535 629 HB2 LYS 73 2HB LYS 73 11.447 1.392 -10.907 630 HB3 LYS 73 3HB LYS 73 11.337 3.108 -11.292 631 HG2 LYS 73 2HG LYS 73 10.008 3.494 -9.248 632 HG3 LYS 73 3HG LYS 73 10.083 1.769 -8.873 633 HD2 LYS 73 2HD LYS 73 11.743 2.993 -7.546 634 HD3 LYS 73 3HD LYS 73 12.550 1.915 -8.688 635 HE2 LYS 73 2HE LYS 73 12.935 3.845 -10.206 636 HE3 LYS 73 3HE LYS 73 12.156 4.903 -9.028 637 HZ1 LYS 73 3HZ LYS 73 14.644 3.333 -8.583 638 HZ2 LYS 73 1HZ LYS 73 13.886 4.313 -7.431 639 HZ3 LYS 73 2HZ LYS 73 14.548 5.006 -8.820 640 H LYS 74 H LYS 74 9.866 -0.229 -12.780 641 HA LYS 74 HA LYS 74 10.790 0.729 -15.351 642 HB2 LYS 74 2HB LYS 74 11.786 -1.303 -14.402 643 HB3 LYS 74 3HB LYS 74 10.208 -2.075 -14.297 644 HG2 LYS 74 2HG LYS 74 10.058 -2.047 -16.782 645 HG3 LYS 74 3HG LYS 74 11.674 -1.341 -16.854 646 HD2 LYS 74 2HD LYS 74 12.641 -3.357 -15.849 647 HD3 LYS 74 3HD LYS 74 11.031 -4.048 -15.615 648 HE2 LYS 74 2HE LYS 74 10.710 -4.060 -18.087 649 HE3 LYS 74 3HE LYS 74 12.357 -3.449 -18.281 650 HZ1 LYS 74 3HZ LYS 74 11.583 -6.041 -17.054 651 HZ2 LYS 74 1HZ LYS 74 13.164 -5.455 -17.165 652 HZ3 LYS 74 2HZ LYS 74 12.299 -5.826 -18.569 653 H GLU 75 H GLU 75 7.814 -0.675 -13.975 654 HA GLU 75 HA GLU 75 6.395 -1.115 -16.393 655 HB2 GLU 75 2HB GLU 75 5.136 -0.464 -13.686 656 HB3 GLU 75 3HB GLU 75 4.348 -1.248 -15.046 657 HG2 GLU 75 2HG GLU 75 6.434 -2.382 -13.189 658 HG3 GLU 75 3HG GLU 75 4.783 -2.931 -13.436 659 H ARG 76 H ARG 76 6.345 1.562 -14.076 660 HA ARG 76 HA ARG 76 5.327 3.447 -16.100 661 HB2 ARG 76 2HB ARG 76 4.233 3.273 -13.253 662 HB3 ARG 76 3HB ARG 76 3.684 4.355 -14.524 663 HG2 ARG 76 2HG ARG 76 2.693 2.504 -15.748 664 HG3 ARG 76 3HG ARG 76 3.390 1.338 -14.623 665 HD2 ARG 76 2HD ARG 76 2.028 2.417 -12.792 666 HD3 ARG 76 3HD ARG 76 1.228 3.382 -14.039 667 HE ARG 76 HE ARG 76 1.017 0.686 -14.774 668 HH11 ARG 76 1HH1 ARG 76 -0.184 2.782 -12.210 669 HH12 ARG 76 2HH1 ARG 76 -1.608 1.850 -11.944 670 HH21 ARG 76 1HH2 ARG 76 -0.861 -0.537 -14.395 671 HH22 ARG 76 2HH2 ARG 76 -1.994 -0.039 -13.192 672 HA PRO 77 HA PRO 77 8.960 5.372 -13.819 673 HB2 PRO 77 2HB PRO 77 9.362 6.650 -16.496 674 HB3 PRO 77 3HB PRO 77 10.526 5.792 -15.468 675 HG2 PRO 77 2HG PRO 77 9.606 4.689 -17.731 676 HG3 PRO 77 3HG PRO 77 9.942 3.702 -16.287 677 HD2 PRO 77 2HD PRO 77 7.285 4.677 -17.332 678 HD3 PRO 77 3HD PRO 77 7.723 3.087 -16.658 679 H GLN 78 H GLN 78 6.087 6.441 -15.302 680 HA GLN 78 HA GLN 78 6.307 9.253 -15.260 681 HB2 GLN 78 2HB GLN 78 3.826 9.264 -15.374 682 HB3 GLN 78 3HB GLN 78 4.539 8.130 -16.514 683 HG2 GLN 78 2HG GLN 78 3.931 6.240 -15.146 684 HG3 GLN 78 3HG GLN 78 3.441 7.285 -13.820 685 HE21 GLN 78 1HE2 GLN 78 2.561 7.949 -17.178 686 HE22 GLN 78 2HE2 GLN 78 0.882 7.605 -16.977 687 H LEU 79 H LEU 79 5.821 7.041 -12.588 688 HA LEU 79 HA LEU 79 4.535 9.167 -10.970 689 HB2 LEU 79 2HB LEU 79 3.513 7.172 -9.670 690 HB3 LEU 79 3HB LEU 79 2.850 7.618 -11.229 691 HG LEU 79 HG LEU 79 4.232 5.710 -12.241 692 HD11 LEU 79 1HD1 LEU 79 4.903 3.865 -10.788 693 HD12 LEU 79 2HD1 LEU 79 4.532 4.836 -9.361 694 HD13 LEU 79 3HD1 LEU 79 5.830 5.326 -10.452 695 HD21 LEU 79 3HD2 LEU 79 2.579 3.994 -11.636 696 HD22 LEU 79 1HD2 LEU 79 1.819 5.553 -11.950 697 HD23 LEU 79 2HD2 LEU 79 2.029 4.993 -10.292 698 H GLU 80 H GLU 80 4.936 9.346 -8.798 699 HA GLU 80 HA GLU 80 7.492 8.508 -7.739 700 HB2 GLU 80 2HB GLU 80 5.139 9.875 -6.354 701 HB3 GLU 80 3HB GLU 80 6.758 9.723 -5.691 702 HG2 GLU 80 2HG GLU 80 7.626 11.221 -7.412 703 HG3 GLU 80 3HG GLU 80 6.049 11.281 -8.187 704 H VAL 81 H VAL 81 7.757 7.011 -6.001 705 HA VAL 81 HA VAL 81 5.436 5.325 -5.266 706 HB VAL 81 HB VAL 81 8.200 4.102 -5.714 707 HG11 VAL 81 1HG1 VAL 81 6.958 1.972 -5.703 708 HG12 VAL 81 2HG1 VAL 81 5.444 2.846 -5.464 709 HG13 VAL 81 3HG1 VAL 81 6.690 2.884 -4.214 710 HG21 VAL 81 3HG2 VAL 81 5.941 4.073 -7.755 711 HG22 VAL 81 1HG2 VAL 81 7.463 3.183 -7.876 712 HG23 VAL 81 2HG2 VAL 81 7.464 4.947 -7.916 713 H ARG 82 H ARG 82 5.205 5.361 -3.115 714 HA ARG 82 HA ARG 82 7.580 5.599 -1.344 715 HB2 ARG 82 2HB ARG 82 5.919 7.442 -1.077 716 HB3 ARG 82 3HB ARG 82 4.651 6.265 -0.764 717 HG2 ARG 82 2HG ARG 82 5.375 7.238 1.338 718 HG3 ARG 82 3HG ARG 82 5.860 5.541 1.295 719 HD2 ARG 82 2HD ARG 82 8.157 6.286 0.590 720 HD3 ARG 82 3HD ARG 82 7.640 7.958 0.814 721 HE ARG 82 HE ARG 82 7.613 5.996 3.037 722 HH11 ARG 82 1HH1 ARG 82 8.632 9.114 1.755 723 HH12 ARG 82 2HH1 ARG 82 9.312 9.647 3.257 724 HH21 ARG 82 1HH2 ARG 82 8.547 6.699 4.990 725 HH22 ARG 82 2HH2 ARG 82 9.261 8.277 5.090 726 H LYS 83 H LYS 83 7.975 3.890 0.021 727 HA LYS 83 HA LYS 83 6.033 1.669 0.192 728 HB2 LYS 83 2HB LYS 83 8.965 1.792 1.063 729 HB3 LYS 83 3HB LYS 83 7.914 0.389 1.241 730 HG2 LYS 83 2HG LYS 83 7.626 0.572 -1.352 731 HG3 LYS 83 3HG LYS 83 9.074 1.575 -1.280 732 HD2 LYS 83 2HD LYS 83 8.847 -1.294 -0.292 733 HD3 LYS 83 3HD LYS 83 9.585 -0.789 -1.809 734 HE2 LYS 83 2HE LYS 83 10.573 -0.019 0.953 735 HE3 LYS 83 3HE LYS 83 11.261 -1.278 -0.071 736 HZ1 LYS 83 3HZ LYS 83 11.726 0.444 -1.745 737 HZ2 LYS 83 1HZ LYS 83 12.551 0.697 -0.294 738 HZ3 LYS 83 2HZ LYS 83 11.192 1.631 -0.669 739 H VAL 84 H VAL 84 4.706 1.736 1.889 740 HA VAL 84 HA VAL 84 5.490 3.168 4.368 741 HB VAL 84 HB VAL 84 2.711 2.574 3.251 742 HG11 VAL 84 1HG1 VAL 84 3.447 4.101 5.772 743 HG12 VAL 84 2HG1 VAL 84 2.654 2.526 5.697 744 HG13 VAL 84 3HG1 VAL 84 1.826 3.957 5.088 745 HG21 VAL 84 3HG2 VAL 84 4.195 5.221 3.454 746 HG22 VAL 84 1HG2 VAL 84 2.526 5.019 2.908 747 HG23 VAL 84 2HG2 VAL 84 3.852 4.326 1.972 748 H THR 85 H THR 85 6.534 1.470 5.356 749 HA THR 85 HA THR 85 5.272 -1.134 5.719 750 HB THR 85 HB THR 85 7.415 -1.583 7.040 751 HG1 THR 85 HG1 THR 85 8.148 0.393 7.649 752 HG21 THR 85 3HG2 THR 85 7.776 -0.603 4.177 753 HG22 THR 85 1HG2 THR 85 7.255 -2.223 4.651 754 HG23 THR 85 2HG2 THR 85 8.882 -1.667 5.046 755 H ASP 86 H ASP 86 5.377 1.866 7.352 756 HA ASP 86 HA ASP 86 4.067 0.734 9.736 757 HB2 ASP 86 2HB ASP 86 6.520 1.198 10.214 758 HB3 ASP 86 3HB ASP 86 6.213 2.901 9.902 759 H GLU 87 H GLU 87 2.608 2.108 10.754 760 HA GLU 87 HA GLU 87 0.915 3.675 9.236 761 HB2 GLU 87 2HB GLU 87 0.263 2.636 11.351 762 HB3 GLU 87 3HB GLU 87 1.372 3.669 12.242 763 HG2 GLU 87 2HG GLU 87 -0.086 5.639 11.303 764 HG3 GLU 87 3HG GLU 87 -1.280 4.384 10.971 765 H ASP 88 H ASP 88 3.657 4.705 11.224 766 HA ASP 88 HA ASP 88 3.363 7.437 11.461 767 HB2 ASP 88 2HB ASP 88 5.155 6.339 12.606 768 HB3 ASP 88 3HB ASP 88 5.832 5.696 11.115 769 H GLN 89 H GLN 89 4.739 5.660 8.702 770 HA GLN 89 HA GLN 89 5.530 7.963 7.212 771 HB2 GLN 89 2HB GLN 89 5.050 5.140 6.165 772 HB3 GLN 89 3HB GLN 89 5.977 6.409 5.367 773 HG2 GLN 89 2HG GLN 89 7.571 6.373 7.312 774 HG3 GLN 89 3HG GLN 89 6.687 4.987 7.947 775 HE21 GLN 89 1HE2 GLN 89 8.424 3.595 7.811 776 HE22 GLN 89 2HE2 GLN 89 9.090 3.049 6.314 777 H ALA 90 H ALA 90 2.615 5.964 7.285 778 HA ALA 90 HA ALA 90 1.316 7.048 5.002 779 HB1 ALA 90 3HB ALA 90 0.604 4.917 5.991 780 HB2 ALA 90 1HB ALA 90 -0.746 6.047 5.929 781 HB3 ALA 90 2HB ALA 90 0.085 5.747 7.458 782 H LYS 91 H LYS 91 1.432 7.988 8.395 783 HA LYS 91 HA LYS 91 -0.518 10.072 8.329 784 HB2 LYS 91 2HB LYS 91 1.830 9.639 10.230 785 HB3 LYS 91 3HB LYS 91 0.498 10.755 10.513 786 HG2 LYS 91 2HG LYS 91 -1.081 8.931 10.733 787 HG3 LYS 91 3HG LYS 91 0.127 7.760 10.203 788 HD2 LYS 91 2HD LYS 91 -0.148 7.609 12.625 789 HD3 LYS 91 3HD LYS 91 1.464 8.218 12.249 790 HE2 LYS 91 2HE LYS 91 0.687 10.522 12.744 791 HE3 LYS 91 3HE LYS 91 -0.909 9.883 13.147 792 HZ1 LYS 91 3HZ LYS 91 0.079 8.611 14.937 793 HZ2 LYS 91 1HZ LYS 91 0.441 10.254 15.120 794 HZ3 LYS 91 2HZ LYS 91 1.620 9.186 14.546 795 H GLN 92 H GLN 92 2.985 9.962 7.761 796 HA GLN 92 HA GLN 92 3.341 12.824 7.774 797 HB2 GLN 92 2HB GLN 92 5.230 10.608 6.885 798 HB3 GLN 92 3HB GLN 92 5.672 12.304 7.037 799 HG2 GLN 92 2HG GLN 92 4.801 10.490 9.294 800 HG3 GLN 92 3HG GLN 92 6.449 10.981 8.942 801 HE21 GLN 92 1HE2 GLN 92 5.760 13.783 8.398 802 HE22 GLN 92 2HE2 GLN 92 5.364 14.473 9.925 803 H ILE 93 H ILE 93 3.003 10.324 5.212 804 HA ILE 93 HA ILE 93 3.451 12.173 3.077 805 HB ILE 93 HB ILE 93 2.517 10.462 1.546 806 HG12 ILE 93 2HG1 ILE 93 1.884 8.972 4.121 807 HG13 ILE 93 3HG1 ILE 93 0.745 9.505 2.892 808 HG21 ILE 93 1HG2 ILE 93 4.896 10.403 2.191 809 HG22 ILE 93 2HG2 ILE 93 4.276 8.779 1.893 810 HG23 ILE 93 3HG2 ILE 93 4.509 9.342 3.549 811 HD11 ILE 93 3HD1 ILE 93 1.094 7.129 2.788 812 HD12 ILE 93 1HD1 ILE 93 2.827 7.355 2.562 813 HD13 ILE 93 2HD1 ILE 93 1.693 7.899 1.323 814 H LEU 94 H LEU 94 0.516 11.352 4.889 815 HA LEU 94 HA LEU 94 -1.397 12.710 3.406 816 HB2 LEU 94 2HB LEU 94 -1.022 12.767 6.426 817 HB3 LEU 94 3HB LEU 94 -2.449 13.398 5.626 818 HG LEU 94 HG LEU 94 -1.570 10.487 5.579 819 HD11 LEU 94 1HD1 LEU 94 -3.447 10.062 7.096 820 HD12 LEU 94 2HD1 LEU 94 -3.794 11.792 7.175 821 HD13 LEU 94 3HD1 LEU 94 -2.274 11.163 7.817 822 HD21 LEU 94 3HD2 LEU 94 -4.126 11.756 4.534 823 HD22 LEU 94 1HD2 LEU 94 -3.784 10.024 4.601 824 HD23 LEU 94 2HD2 LEU 94 -2.825 11.071 3.558 825 H GLU 95 H GLU 95 1.279 14.025 5.263 826 HA GLU 95 HA GLU 95 0.592 16.819 4.914 827 HB2 GLU 95 2HB GLU 95 3.317 15.635 5.602 828 HB3 GLU 95 3HB GLU 95 2.783 17.286 5.867 829 HG2 GLU 95 2HG GLU 95 1.189 16.523 7.573 830 HG3 GLU 95 3HG GLU 95 1.669 14.849 7.284 831 H ASP 96 H ASP 96 3.177 14.741 3.663 832 HA ASP 96 HA ASP 96 4.448 16.178 1.782 833 HB2 ASP 96 2HB ASP 96 5.144 13.915 2.224 834 HB3 ASP 96 3HB ASP 96 3.639 13.261 1.604 835 H LEU 97 H LEU 97 1.332 14.591 1.136 836 HA LEU 97 HA LEU 97 1.153 15.249 -1.627 837 HB2 LEU 97 2HB LEU 97 -0.768 14.215 0.452 838 HB3 LEU 97 3HB LEU 97 -1.422 14.769 -1.074 839 HG LEU 97 HG LEU 97 -0.276 13.030 -2.313 840 HD11 LEU 97 1HD1 LEU 97 1.879 13.021 -1.141 841 HD12 LEU 97 2HD1 LEU 97 1.237 11.399 -1.378 842 HD13 LEU 97 3HD1 LEU 97 1.133 12.165 0.212 843 HD21 LEU 97 3HD2 LEU 97 -1.451 11.826 0.208 844 HD22 LEU 97 1HD2 LEU 97 -1.200 10.977 -1.320 845 HD23 LEU 97 2HD2 LEU 97 -2.339 12.314 -1.234 846 H LYS 98 H LYS 98 0.412 16.986 1.239 847 HA LYS 98 HA LYS 98 -1.140 19.125 -0.017 848 HB2 LYS 98 2HB LYS 98 -0.031 18.988 2.826 849 HB3 LYS 98 3HB LYS 98 -1.250 20.111 2.237 850 HG2 LYS 98 2HG LYS 98 -1.592 17.113 2.455 851 HG3 LYS 98 3HG LYS 98 -2.190 18.289 3.624 852 HD2 LYS 98 2HD LYS 98 -3.648 19.268 1.853 853 HD3 LYS 98 3HD LYS 98 -3.063 18.047 0.718 854 HE2 LYS 98 2HE LYS 98 -4.022 16.267 2.124 855 HE3 LYS 98 3HE LYS 98 -4.575 17.474 3.292 856 HZ1 LYS 98 3HZ LYS 98 -6.358 16.795 1.793 857 HZ2 LYS 98 1HZ LYS 98 -5.451 17.283 0.452 858 HZ3 LYS 98 2HZ LYS 98 -5.992 18.431 1.570 859 H LYS 99 H LYS 99 1.934 18.911 1.767 860 HA LYS 99 HA LYS 99 2.790 21.553 1.493 861 HB2 LYS 99 2HB LYS 99 4.439 19.044 2.010 862 HB3 LYS 99 3HB LYS 99 5.025 20.688 2.240 863 HG2 LYS 99 2HG LYS 99 3.342 21.042 4.008 864 HG3 LYS 99 3HG LYS 99 2.748 19.393 3.774 865 HD2 LYS 99 2HD LYS 99 4.963 18.501 4.420 866 HD3 LYS 99 3HD LYS 99 5.570 20.143 4.650 867 HE2 LYS 99 2HE LYS 99 3.359 18.804 6.244 868 HE3 LYS 99 3HE LYS 99 5.004 19.114 6.797 869 HZ1 LYS 99 3HZ LYS 99 2.954 21.151 6.124 870 HZ2 LYS 99 1HZ LYS 99 4.562 21.501 6.525 871 HZ3 LYS 99 2HZ LYS 99 3.550 20.774 7.661 872 H LYS 100 H LYS 100 3.941 18.638 -0.251 873 HA LYS 100 HA LYS 100 5.897 20.074 -1.763 874 HB2 LYS 100 2HB LYS 100 6.190 17.699 -1.145 875 HB3 LYS 100 3HB LYS 100 4.803 17.249 -2.127 876 HG2 LYS 100 2HG LYS 100 6.056 18.010 -4.166 877 HG3 LYS 100 3HG LYS 100 7.450 18.359 -3.141 878 HD2 LYS 100 2HD LYS 100 7.694 16.179 -4.266 879 HD3 LYS 100 3HD LYS 100 7.613 15.984 -2.514 880 HE2 LYS 100 2HE LYS 100 6.295 14.256 -3.622 881 HE3 LYS 100 3HE LYS 100 5.224 15.325 -2.719 882 HZ1 LYS 100 3HZ LYS 100 4.244 14.904 -4.831 883 HZ2 LYS 100 1HZ LYS 100 5.674 15.274 -5.658 884 HZ3 LYS 100 2HZ LYS 100 4.807 16.499 -4.877 885 H GLY 101 H GLY 101 4.826 21.702 -2.824 886 HA2 GLY 101 2HA GLY 101 3.372 20.935 -5.310 887 HA3 GLY 101 3HA GLY 101 3.050 22.426 -4.417 888 H SER 102 H SER 102 6.011 20.740 -5.240 889 HA SER 102 HA SER 102 7.030 23.025 -6.795 890 HB2 SER 102 2HB SER 102 7.837 23.260 -4.430 891 HB3 SER 102 3HB SER 102 8.537 21.644 -4.510 892 HG SER 102 HG SER 102 9.705 23.881 -5.147 893 H LEU 103 H LEU 103 9.277 22.262 -7.714 894 HA LEU 103 HA LEU 103 8.856 19.704 -9.081 895 HB2 LEU 103 2HB LEU 103 10.856 21.964 -9.591 896 HB3 LEU 103 3HB LEU 103 10.756 20.493 -10.541 897 HG LEU 103 HG LEU 103 8.364 21.179 -11.166 898 HD11 LEU 103 1HD1 LEU 103 7.744 23.554 -11.009 899 HD12 LEU 103 2HD1 LEU 103 9.161 23.861 -10.002 900 HD13 LEU 103 3HD1 LEU 103 7.880 22.796 -9.421 901 HD21 LEU 103 3HD2 LEU 103 9.066 22.731 -12.930 902 HD22 LEU 103 1HD2 LEU 103 10.207 21.400 -12.745 903 HD23 LEU 103 2HD2 LEU 103 10.603 22.995 -12.102 904 H GLU 104 H GLU 104 9.273 19.118 -6.594 905 HA GLU 104 HA GLU 104 12.001 18.872 -5.730 906 HB2 GLU 104 2HB GLU 104 10.108 19.048 -4.113 907 HB3 GLU 104 3HB GLU 104 9.482 17.502 -4.679 908 HG2 GLU 104 2HG GLU 104 11.643 16.436 -3.915 909 HG3 GLU 104 3HG GLU 104 12.093 17.981 -3.199 910 H HIS 105 H HIS 105 13.184 17.694 -7.210 911 HA HIS 105 HA HIS 105 12.283 15.172 -8.290 912 HB2 HIS 105 2HB HIS 105 13.827 16.791 -9.516 913 HB3 HIS 105 3HB HIS 105 15.105 16.334 -8.399 914 HD1 HIS 105 HD1 HIS 105 13.367 15.276 -11.463 915 HD2 HIS 105 HD2 HIS 105 15.991 13.578 -8.722 916 HE1 HIS 105 HE1 HIS 105 14.238 13.199 -12.561 917 HE2 HIS 105 HE2 HIS 105 15.850 12.211 -10.910 918 H HIS 106 H HIS 106 12.302 13.354 -7.142 919 HA HIS 106 HA HIS 106 13.574 12.927 -4.656 920 HB2 HIS 106 2HB HIS 106 12.515 10.906 -6.685 921 HB3 HIS 106 3HB HIS 106 13.050 10.471 -5.065 922 HD1 HIS 106 HD1 HIS 106 11.377 10.685 -3.205 923 HD2 HIS 106 HD2 HIS 106 10.113 12.565 -6.692 924 HE1 HIS 106 HE1 HIS 106 8.985 11.330 -2.806 925 HE2 HIS 106 HE2 HIS 106 8.295 12.576 -4.865 926 H HIS 107 H HIS 107 15.643 12.440 -4.188 927 HA HIS 107 HA HIS 107 17.715 12.416 -6.094 928 HB2 HIS 107 2HB HIS 107 19.217 11.871 -4.211 929 HB3 HIS 107 3HB HIS 107 18.057 13.102 -3.728 930 HD1 HIS 107 HD1 HIS 107 16.025 12.210 -2.184 931 HD2 HIS 107 HD2 HIS 107 19.275 9.649 -2.592 932 HE1 HIS 107 HE1 HIS 107 15.823 10.558 -0.312 933 HE2 HIS 107 HE2 HIS 107 17.912 9.173 -0.452 934 H HIS 108 H HIS 108 19.195 10.701 -6.667 935 HA HIS 108 HA HIS 108 17.909 8.261 -7.419 936 HB2 HIS 108 2HB HIS 108 20.782 9.239 -7.676 937 HB3 HIS 108 3HB HIS 108 20.293 7.633 -8.208 938 HD1 HIS 108 HD1 HIS 108 20.187 7.697 -10.660 939 HD2 HIS 108 HD2 HIS 108 18.559 11.139 -8.999 940 HE1 HIS 108 HE1 HIS 108 19.278 9.014 -12.592 941 HE2 HIS 108 HE2 HIS 108 18.120 10.970 -11.532 942 H HIS 109 H HIS 109 18.525 6.129 -6.854 943 HA HIS 109 HA HIS 109 19.902 5.571 -4.348 944 HB2 HIS 109 2HB HIS 109 17.551 6.393 -3.732 945 HB3 HIS 109 3HB HIS 109 16.893 5.028 -4.616 946 HD1 HIS 109 HD1 HIS 109 16.901 2.738 -3.427 947 HD2 HIS 109 HD2 HIS 109 18.776 5.763 -1.262 948 HE1 HIS 109 HE1 HIS 109 17.192 1.833 -1.098 949 HE2 HIS 109 HE2 HIS 109 18.521 3.593 0.112 950 H HIS 110 H HIS 110 19.870 3.117 -3.989 951 HA HIS 110 HA HIS 110 19.939 1.634 -6.483 952 HB2 HIS 110 2HB HIS 110 20.475 0.828 -3.592 953 HB3 HIS 110 3HB HIS 110 20.513 -0.326 -4.921 954 HD1 HIS 110 HD1 HIS 110 22.951 -0.863 -5.087 955 HD2 HIS 110 HD2 HIS 110 22.282 3.239 -4.911 956 HE1 HIS 110 HE1 HIS 110 25.192 0.208 -5.459 957 HE2 HIS 110 HE2 HIS 110 24.743 2.681 -5.439 Start of MODEL 11 1 H1 MET 1 1H MET 1 5.378 12.695 -10.115 2 H2 MET 1 2H MET 1 6.707 13.105 -11.077 3 H3 MET 1 3H MET 1 5.262 12.592 -11.789 4 HA MET 1 HA MET 1 5.581 15.049 -10.193 5 HB2 MET 1 2HB MET 1 6.764 15.009 -12.476 6 HB3 MET 1 3HB MET 1 5.181 14.843 -13.215 7 HG2 MET 1 2HG MET 1 6.069 17.191 -11.513 8 HG3 MET 1 3HG MET 1 6.060 17.167 -13.270 9 HE1 MET 1 3HE MET 1 2.212 17.095 -14.047 10 HE2 MET 1 1HE MET 1 3.280 15.701 -13.917 11 HE3 MET 1 2HE MET 1 3.835 17.165 -14.734 12 H GLY 2 H GLY 2 3.642 15.778 -9.430 13 HA2 GLY 2 2HA GLY 2 1.421 16.323 -9.294 14 HA3 GLY 2 3HA GLY 2 1.183 15.718 -10.928 15 H SER 3 H SER 3 0.923 13.401 -11.197 16 HA SER 3 HA SER 3 -0.542 12.084 -9.048 17 HB2 SER 3 2HB SER 3 0.083 11.159 -11.897 18 HB3 SER 3 3HB SER 3 -1.062 10.393 -10.783 19 HG SER 3 HG SER 3 -2.233 12.374 -10.795 20 H LYS 4 H LYS 4 0.228 10.426 -7.872 21 HA LYS 4 HA LYS 4 2.686 8.989 -8.614 22 HB2 LYS 4 2HB LYS 4 3.313 8.913 -6.123 23 HB3 LYS 4 3HB LYS 4 3.678 10.370 -7.014 24 HG2 LYS 4 2HG LYS 4 1.199 10.185 -5.295 25 HG3 LYS 4 3HG LYS 4 2.782 10.585 -4.608 26 HD2 LYS 4 2HD LYS 4 2.965 12.493 -6.211 27 HD3 LYS 4 3HD LYS 4 1.346 12.124 -6.812 28 HE2 LYS 4 2HE LYS 4 0.464 12.556 -4.502 29 HE3 LYS 4 3HE LYS 4 2.089 13.058 -4.024 30 HZ1 LYS 4 3HZ LYS 4 0.699 14.941 -4.617 31 HZ2 LYS 4 1HZ LYS 4 0.457 14.316 -6.166 32 HZ3 LYS 4 2HZ LYS 4 2.002 14.807 -5.684 33 H ILE 5 H ILE 5 2.923 7.013 -7.115 34 HA ILE 5 HA ILE 5 0.305 6.006 -6.184 35 HB ILE 5 HB ILE 5 0.969 3.708 -6.659 36 HG12 ILE 5 2HG1 ILE 5 3.513 4.764 -7.991 37 HG13 ILE 5 3HG1 ILE 5 3.474 4.065 -6.378 38 HG21 ILE 5 1HG2 ILE 5 -0.226 4.913 -8.431 39 HG22 ILE 5 2HG2 ILE 5 0.898 3.752 -9.138 40 HG23 ILE 5 3HG2 ILE 5 1.305 5.472 -9.114 41 HD11 ILE 5 3HD1 ILE 5 2.708 1.944 -7.304 42 HD12 ILE 5 1HD1 ILE 5 4.245 2.456 -7.996 43 HD13 ILE 5 2HD1 ILE 5 2.761 2.630 -8.930 44 H ILE 6 H ILE 6 0.260 5.153 -4.216 45 HA ILE 6 HA ILE 6 2.707 5.206 -2.540 46 HB ILE 6 HB ILE 6 -0.223 5.554 -1.767 47 HG12 ILE 6 2HG1 ILE 6 0.642 7.578 -2.856 48 HG13 ILE 6 3HG1 ILE 6 0.425 7.884 -1.142 49 HG21 ILE 6 1HG2 ILE 6 2.227 5.604 0.027 50 HG22 ILE 6 2HG2 ILE 6 0.981 4.352 -0.007 51 HG23 ILE 6 3HG2 ILE 6 0.576 5.985 0.525 52 HD11 ILE 6 3HD1 ILE 6 3.043 7.372 -2.538 53 HD12 ILE 6 1HD1 ILE 6 2.843 7.670 -0.806 54 HD13 ILE 6 2HD1 ILE 6 2.427 8.924 -1.974 55 H VAL 7 H VAL 7 3.326 3.264 -1.741 56 HA VAL 7 HA VAL 7 1.512 0.950 -2.019 57 HB VAL 7 HB VAL 7 4.566 0.922 -2.098 58 HG11 VAL 7 1HG1 VAL 7 4.286 -1.465 -2.752 59 HG12 VAL 7 2HG1 VAL 7 2.548 -1.320 -2.493 60 HG13 VAL 7 3HG1 VAL 7 3.660 -1.139 -1.134 61 HG21 VAL 7 3HG2 VAL 7 4.347 0.364 -4.498 62 HG22 VAL 7 1HG2 VAL 7 3.628 1.940 -4.154 63 HG23 VAL 7 2HG2 VAL 7 2.593 0.530 -4.390 64 H ILE 8 H ILE 8 0.714 0.448 -0.085 65 HA ILE 8 HA ILE 8 2.226 1.088 2.375 66 HB ILE 8 HB ILE 8 -0.769 0.607 2.000 67 HG12 ILE 8 2HG1 ILE 8 0.864 3.139 2.458 68 HG13 ILE 8 3HG1 ILE 8 -0.182 2.768 1.097 69 HG21 ILE 8 1HG2 ILE 8 -0.043 -0.223 4.198 70 HG22 ILE 8 2HG2 ILE 8 -1.019 1.233 4.383 71 HG23 ILE 8 3HG2 ILE 8 0.736 1.322 4.545 72 HD11 ILE 8 3HD1 ILE 8 -1.202 4.409 2.499 73 HD12 ILE 8 1HD1 ILE 8 -1.049 3.375 3.921 74 HD13 ILE 8 2HD1 ILE 8 -2.124 2.913 2.599 75 H ILE 9 H ILE 9 3.088 -0.558 3.432 76 HA ILE 9 HA ILE 9 2.467 -3.325 2.680 77 HB ILE 9 HB ILE 9 4.775 -2.272 4.404 78 HG12 ILE 9 2HG1 ILE 9 6.198 -3.138 2.383 79 HG13 ILE 9 3HG1 ILE 9 4.700 -3.104 1.463 80 HG21 ILE 9 1HG2 ILE 9 4.099 -4.554 5.046 81 HG22 ILE 9 2HG2 ILE 9 5.683 -4.569 4.272 82 HG23 ILE 9 3HG2 ILE 9 4.258 -5.090 3.370 83 HD11 ILE 9 3HD1 ILE 9 6.111 -1.134 1.090 84 HD12 ILE 9 1HD1 ILE 9 5.984 -0.719 2.801 85 HD13 ILE 9 2HD1 ILE 9 4.546 -0.698 1.777 86 H SER 10 H SER 10 0.682 -3.955 3.820 87 HA SER 10 HA SER 10 0.349 -3.180 6.648 88 HB2 SER 10 2HB SER 10 -1.548 -2.679 5.158 89 HB3 SER 10 3HB SER 10 -1.637 -4.371 4.673 90 HG SER 10 HG SER 10 -3.157 -3.923 6.288 91 H SER 11 H SER 11 -0.158 -4.675 8.201 92 HA SER 11 HA SER 11 0.063 -7.536 7.741 93 HB2 SER 11 2HB SER 11 1.803 -7.726 9.635 94 HB3 SER 11 3HB SER 11 2.401 -7.099 8.100 95 HG SER 11 HG SER 11 1.479 -5.229 9.961 96 H ASP 12 H ASP 12 -2.177 -7.289 8.301 97 HA ASP 12 HA ASP 12 -3.905 -7.782 9.647 98 HB2 ASP 12 2HB ASP 12 -2.467 -9.119 11.088 99 HB3 ASP 12 3HB ASP 12 -1.892 -7.689 11.926 100 H ASP 13 H ASP 13 -1.939 -4.995 10.696 101 HA ASP 13 HA ASP 13 -3.935 -3.653 12.203 102 HB2 ASP 13 2HB ASP 13 -1.624 -2.988 12.519 103 HB3 ASP 13 3HB ASP 13 -1.438 -2.596 10.812 104 H THR 14 H THR 14 -5.324 -1.986 11.712 105 HA THR 14 HA THR 14 -6.267 -1.912 8.922 106 HB THR 14 HB THR 14 -7.856 -2.733 10.647 107 HG1 THR 14 HG1 THR 14 -8.353 -1.124 8.704 108 HG21 THR 14 3HG2 THR 14 -8.879 -1.186 12.266 109 HG22 THR 14 1HG2 THR 14 -7.793 0.103 11.756 110 HG23 THR 14 2HG2 THR 14 -7.145 -1.326 12.570 111 H THR 15 H THR 15 -4.811 0.154 11.341 112 HA THR 15 HA THR 15 -5.982 2.608 10.813 113 HB THR 15 HB THR 15 -3.069 2.191 11.626 114 HG1 THR 15 HG1 THR 15 -3.909 1.257 13.310 115 HG21 THR 15 3HG2 THR 15 -3.663 4.560 11.141 116 HG22 THR 15 1HG2 THR 15 -3.367 4.309 12.868 117 HG23 THR 15 2HG2 THR 15 -5.018 4.449 12.265 118 H LEU 16 H LEU 16 -3.071 1.207 9.236 119 HA LEU 16 HA LEU 16 -2.720 3.547 7.563 120 HB2 LEU 16 2HB LEU 16 -0.984 1.922 6.372 121 HB3 LEU 16 3HB LEU 16 -0.634 2.701 7.898 122 HG LEU 16 HG LEU 16 -1.161 0.591 9.111 123 HD11 LEU 16 1HD1 LEU 16 -2.763 -0.406 7.559 124 HD12 LEU 16 2HD1 LEU 16 -1.457 -1.520 7.953 125 HD13 LEU 16 3HD1 LEU 16 -1.469 -0.692 6.391 126 HD21 LEU 16 3HD2 LEU 16 0.838 -0.658 8.434 127 HD22 LEU 16 1HD2 LEU 16 1.146 1.077 8.482 128 HD23 LEU 16 2HD2 LEU 16 0.919 0.266 6.930 129 H GLU 17 H GLU 17 -4.520 0.622 7.298 130 HA GLU 17 HA GLU 17 -4.859 0.564 4.449 131 HB2 GLU 17 2HB GLU 17 -6.726 -0.528 6.597 132 HB3 GLU 17 3HB GLU 17 -6.721 -0.974 4.893 133 HG2 GLU 17 2HG GLU 17 -4.501 -2.011 5.159 134 HG3 GLU 17 3HG GLU 17 -4.476 -1.539 6.861 135 H GLU 18 H GLU 18 -6.705 2.006 7.156 136 HA GLU 18 HA GLU 18 -8.687 3.191 5.433 137 HB2 GLU 18 2HB GLU 18 -9.549 4.338 7.429 138 HB3 GLU 18 3HB GLU 18 -9.334 2.616 7.709 139 HG2 GLU 18 2HG GLU 18 -7.325 3.024 9.009 140 HG3 GLU 18 3HG GLU 18 -7.388 4.745 8.637 141 H LEU 19 H LEU 19 -5.672 4.316 6.957 142 HA LEU 19 HA LEU 19 -5.805 7.045 6.288 143 HB2 LEU 19 2HB LEU 19 -3.411 5.187 6.561 144 HB3 LEU 19 3HB LEU 19 -3.210 6.890 6.186 145 HG LEU 19 HG LEU 19 -4.564 5.867 8.721 146 HD11 LEU 19 1HD1 LEU 19 -2.515 6.462 9.915 147 HD12 LEU 19 2HD1 LEU 19 -1.729 6.898 8.395 148 HD13 LEU 19 3HD1 LEU 19 -2.193 5.222 8.703 149 HD21 LEU 19 3HD2 LEU 19 -5.313 8.107 8.090 150 HD22 LEU 19 1HD2 LEU 19 -3.638 8.656 7.961 151 HD23 LEU 19 2HD2 LEU 19 -4.295 8.174 9.528 152 H ALA 20 H ALA 20 -4.919 4.214 4.384 153 HA ALA 20 HA ALA 20 -3.874 5.314 2.066 154 HB1 ALA 20 3HB ALA 20 -5.661 2.871 2.283 155 HB2 ALA 20 1HB ALA 20 -3.927 2.904 2.605 156 HB3 ALA 20 2HB ALA 20 -4.524 3.229 0.979 157 H ARG 21 H ARG 21 -7.251 5.014 3.052 158 HA ARG 21 HA ARG 21 -8.492 5.699 0.588 159 HB2 ARG 21 2HB ARG 21 -9.570 4.521 2.551 160 HB3 ARG 21 3HB ARG 21 -9.583 6.049 3.421 161 HG2 ARG 21 2HG ARG 21 -11.130 7.004 1.771 162 HG3 ARG 21 3HG ARG 21 -11.050 5.525 0.810 163 HD2 ARG 21 2HD ARG 21 -12.076 4.254 2.660 164 HD3 ARG 21 3HD ARG 21 -12.129 5.718 3.648 165 HE ARG 21 HE ARG 21 -13.502 6.066 1.162 166 HH11 ARG 21 1HH1 ARG 21 -13.909 4.652 4.376 167 HH12 ARG 21 2HH1 ARG 21 -15.641 4.766 4.337 168 HH21 ARG 21 1HH2 ARG 21 -15.761 6.218 1.126 169 HH22 ARG 21 2HH2 ARG 21 -16.697 5.664 2.478 170 H LYS 22 H LYS 22 -7.327 7.594 3.338 171 HA LYS 22 HA LYS 22 -8.326 10.153 2.495 172 HB2 LYS 22 2HB LYS 22 -6.108 9.410 4.453 173 HB3 LYS 22 3HB LYS 22 -6.562 11.074 4.122 174 HG2 LYS 22 2HG LYS 22 -7.563 10.359 6.204 175 HG3 LYS 22 3HG LYS 22 -8.836 10.633 5.012 176 HD2 LYS 22 2HD LYS 22 -9.172 8.274 4.704 177 HD3 LYS 22 3HD LYS 22 -7.696 7.880 5.587 178 HE2 LYS 22 2HE LYS 22 -9.679 7.402 6.927 179 HE3 LYS 22 3HE LYS 22 -8.717 8.674 7.669 180 HZ1 LYS 22 3HZ LYS 22 -11.106 9.117 7.731 181 HZ2 LYS 22 1HZ LYS 22 -11.163 9.123 6.043 182 HZ3 LYS 22 2HZ LYS 22 -10.279 10.307 6.864 183 H ILE 23 H ILE 23 -5.277 8.396 2.167 184 HA ILE 23 HA ILE 23 -3.646 10.335 0.974 185 HB ILE 23 HB ILE 23 -3.578 7.284 0.920 186 HG12 ILE 23 2HG1 ILE 23 -1.827 9.218 2.515 187 HG13 ILE 23 3HG1 ILE 23 -3.292 8.482 3.149 188 HG21 ILE 23 1HG2 ILE 23 -2.328 8.102 -1.043 189 HG22 ILE 23 2HG2 ILE 23 -1.251 7.375 0.152 190 HG23 ILE 23 3HG2 ILE 23 -1.348 9.131 0.007 191 HD11 ILE 23 3HD1 ILE 23 -1.321 7.325 3.931 192 HD12 ILE 23 1HD1 ILE 23 -0.821 6.993 2.273 193 HD13 ILE 23 2HD1 ILE 23 -2.297 6.267 2.914 194 H LYS 24 H LYS 24 -5.719 7.798 -0.534 195 HA LYS 24 HA LYS 24 -4.962 8.584 -3.198 196 HB2 LYS 24 2HB LYS 24 -6.501 6.929 -4.044 197 HB3 LYS 24 3HB LYS 24 -5.448 6.266 -2.817 198 HG2 LYS 24 2HG LYS 24 -7.211 6.035 -1.254 199 HG3 LYS 24 3HG LYS 24 -8.288 7.087 -2.183 200 HD2 LYS 24 2HD LYS 24 -8.758 4.568 -2.356 201 HD3 LYS 24 3HD LYS 24 -8.616 5.436 -3.884 202 HE2 LYS 24 2HE LYS 24 -6.259 4.618 -4.088 203 HE3 LYS 24 3HE LYS 24 -6.474 3.700 -2.595 204 HZ1 LYS 24 3HZ LYS 24 -8.090 2.347 -3.634 205 HZ2 LYS 24 1HZ LYS 24 -6.774 2.423 -4.694 206 HZ3 LYS 24 2HZ LYS 24 -8.170 3.329 -5.002 207 H ASP 25 H ASP 25 -7.333 9.697 -1.001 208 HA ASP 25 HA ASP 25 -9.252 10.798 -2.756 209 HB2 ASP 25 2HB ASP 25 -9.474 10.598 -0.257 210 HB3 ASP 25 3HB ASP 25 -8.328 11.921 -0.074 211 H GLU 26 H GLU 26 -5.962 11.633 -2.358 212 HA GLU 26 HA GLU 26 -5.980 14.325 -3.347 213 HB2 GLU 26 2HB GLU 26 -3.827 12.175 -3.256 214 HB3 GLU 26 3HB GLU 26 -3.524 13.828 -3.775 215 HG2 GLU 26 2HG GLU 26 -4.543 13.051 -1.028 216 HG3 GLU 26 3HG GLU 26 -2.854 13.352 -1.426 217 H GLY 27 H GLY 27 -6.717 11.419 -4.889 218 HA2 GLY 27 2HA GLY 27 -7.331 11.113 -7.114 219 HA3 GLY 27 3HA GLY 27 -6.467 12.577 -7.562 220 H LEU 28 H LEU 28 -5.046 10.031 -5.614 221 HA LEU 28 HA LEU 28 -3.349 9.144 -7.886 222 HB2 LEU 28 2HB LEU 28 -1.492 8.873 -6.292 223 HB3 LEU 28 3HB LEU 28 -2.023 10.534 -6.420 224 HG LEU 28 HG LEU 28 -3.400 9.909 -4.192 225 HD11 LEU 28 1HD1 LEU 28 -2.789 7.536 -4.136 226 HD12 LEU 28 2HD1 LEU 28 -2.174 8.380 -2.720 227 HD13 LEU 28 3HD1 LEU 28 -1.077 7.959 -4.038 228 HD21 LEU 28 3HD2 LEU 28 -0.431 10.506 -4.173 229 HD22 LEU 28 1HD2 LEU 28 -1.567 10.806 -2.850 230 HD23 LEU 28 2HD2 LEU 28 -1.729 11.682 -4.371 231 H GLU 29 H GLU 29 -2.616 6.848 -7.735 232 HA GLU 29 HA GLU 29 -4.622 5.131 -6.504 233 HB2 GLU 29 2HB GLU 29 -3.820 4.697 -8.811 234 HB3 GLU 29 3HB GLU 29 -2.188 4.439 -8.208 235 HG2 GLU 29 2HG GLU 29 -3.292 2.310 -8.707 236 HG3 GLU 29 3HG GLU 29 -2.926 2.437 -6.989 237 H VAL 30 H VAL 30 -4.278 3.693 -4.822 238 HA VAL 30 HA VAL 30 -1.600 3.567 -3.559 239 HB VAL 30 HB VAL 30 -4.296 3.377 -2.113 240 HG11 VAL 30 1HG1 VAL 30 -1.461 3.234 -1.004 241 HG12 VAL 30 2HG1 VAL 30 -2.604 1.891 -1.100 242 HG13 VAL 30 3HG1 VAL 30 -2.939 3.258 -0.037 243 HG21 VAL 30 3HG2 VAL 30 -2.154 5.537 -1.966 244 HG22 VAL 30 1HG2 VAL 30 -3.627 5.478 -0.990 245 HG23 VAL 30 2HG2 VAL 30 -3.731 5.702 -2.738 246 H TYR 31 H TYR 31 -0.763 1.586 -3.376 247 HA TYR 31 HA TYR 31 -2.335 -0.832 -4.020 248 HB2 TYR 31 2HB TYR 31 0.655 -0.280 -4.331 249 HB3 TYR 31 3HB TYR 31 -0.117 -1.825 -4.644 250 HD1 TYR 31 HD1 TYR 31 -1.460 -2.174 -6.687 251 HD2 TYR 31 HD2 TYR 31 0.441 1.585 -5.953 252 HE1 TYR 31 HE1 TYR 31 -1.766 -1.550 -9.050 253 HE2 TYR 31 HE2 TYR 31 0.123 2.195 -8.305 254 HH TYR 31 HH TYR 31 -0.235 1.189 -10.446 255 H ILE 32 H ILE 32 -2.691 -2.025 -2.161 256 HA ILE 32 HA ILE 32 -0.897 -1.616 0.155 257 HB ILE 32 HB ILE 32 -3.437 -3.304 0.181 258 HG12 ILE 32 2HG1 ILE 32 -4.005 -0.957 -0.638 259 HG13 ILE 32 3HG1 ILE 32 -4.784 -1.403 0.874 260 HG21 ILE 32 1HG2 ILE 32 -1.936 -1.830 2.385 261 HG22 ILE 32 2HG2 ILE 32 -1.930 -3.572 2.101 262 HG23 ILE 32 3HG2 ILE 32 -3.417 -2.769 2.607 263 HD11 ILE 32 3HD1 ILE 32 -3.210 -0.056 2.117 264 HD12 ILE 32 1HD1 ILE 32 -3.993 0.894 0.857 265 HD13 ILE 32 2HD1 ILE 32 -2.336 0.335 0.631 266 H LEU 33 H LEU 33 0.748 -3.112 0.489 267 HA LEU 33 HA LEU 33 0.536 -5.798 -0.694 268 HB2 LEU 33 2HB LEU 33 2.935 -4.373 0.545 269 HB3 LEU 33 3HB LEU 33 2.961 -6.009 -0.107 270 HG LEU 33 HG LEU 33 2.584 -3.419 -1.651 271 HD11 LEU 33 1HD1 LEU 33 4.735 -5.547 -1.844 272 HD12 LEU 33 2HD1 LEU 33 4.903 -3.948 -1.114 273 HD13 LEU 33 3HD1 LEU 33 4.610 -4.095 -2.844 274 HD21 LEU 33 3HD2 LEU 33 2.357 -4.765 -3.697 275 HD22 LEU 33 1HD2 LEU 33 1.021 -5.037 -2.583 276 HD23 LEU 33 2HD2 LEU 33 2.303 -6.241 -2.730 277 H LEU 34 H LEU 34 -0.518 -7.120 0.584 278 HA LEU 34 HA LEU 34 -0.443 -6.881 3.498 279 HB2 LEU 34 2HB LEU 34 -2.394 -7.856 1.524 280 HB3 LEU 34 3HB LEU 34 -2.103 -9.092 2.718 281 HG LEU 34 HG LEU 34 -4.058 -7.802 3.344 282 HD11 LEU 34 1HD1 LEU 34 -2.772 -8.610 5.217 283 HD12 LEU 34 2HD1 LEU 34 -3.473 -7.048 5.618 284 HD13 LEU 34 3HD1 LEU 34 -1.755 -7.167 5.214 285 HD21 LEU 34 3HD2 LEU 34 -3.953 -5.403 3.879 286 HD22 LEU 34 1HD2 LEU 34 -3.613 -5.739 2.186 287 HD23 LEU 34 2HD2 LEU 34 -2.291 -5.352 3.283 288 H LYS 35 H LYS 35 0.871 -8.142 4.667 289 HA LYS 35 HA LYS 35 1.331 -10.924 3.928 290 HB2 LYS 35 2HB LYS 35 3.786 -10.767 4.513 291 HB3 LYS 35 3HB LYS 35 3.351 -9.979 3.003 292 HG2 LYS 35 2HG LYS 35 3.630 -7.811 3.902 293 HG3 LYS 35 3HG LYS 35 3.610 -8.398 5.570 294 HD2 LYS 35 2HD LYS 35 5.788 -9.613 5.080 295 HD3 LYS 35 3HD LYS 35 5.821 -8.808 3.507 296 HE2 LYS 35 2HE LYS 35 5.956 -6.631 4.578 297 HE3 LYS 35 3HE LYS 35 5.737 -7.355 6.170 298 HZ1 LYS 35 3HZ LYS 35 8.055 -7.872 4.390 299 HZ2 LYS 35 1HZ LYS 35 7.850 -8.443 5.963 300 HZ3 LYS 35 2HZ LYS 35 8.053 -6.785 5.683 301 H ASP 36 H ASP 36 0.915 -12.116 5.644 302 HA ASP 36 HA ASP 36 1.155 -11.082 8.404 303 HB2 ASP 36 2HB ASP 36 -1.225 -10.864 7.519 304 HB3 ASP 36 3HB ASP 36 -1.257 -12.607 7.293 305 H LYS 37 H LYS 37 0.861 -13.055 9.962 306 HA LYS 37 HA LYS 37 2.797 -15.042 9.276 307 HB2 LYS 37 2HB LYS 37 2.309 -14.052 11.604 308 HB3 LYS 37 3HB LYS 37 0.913 -15.119 11.670 309 HG2 LYS 37 2HG LYS 37 2.779 -16.111 12.890 310 HG3 LYS 37 3HG LYS 37 2.418 -17.093 11.469 311 HD2 LYS 37 2HD LYS 37 4.857 -16.847 11.784 312 HD3 LYS 37 3HD LYS 37 4.346 -16.095 10.271 313 HE2 LYS 37 2HE LYS 37 4.392 -13.867 11.416 314 HE3 LYS 37 3HE LYS 37 4.982 -14.660 12.879 315 HZ1 LYS 37 3HZ LYS 37 6.986 -15.214 11.834 316 HZ2 LYS 37 1HZ LYS 37 6.701 -13.609 11.409 317 HZ3 LYS 37 2HZ LYS 37 6.407 -14.842 10.292 318 H ASP 38 H ASP 38 -0.705 -14.909 9.210 319 HA ASP 38 HA ASP 38 -0.891 -17.754 8.378 320 HB2 ASP 38 2HB ASP 38 -2.077 -17.301 10.507 321 HB3 ASP 38 3HB ASP 38 -2.986 -15.996 9.749 322 H GLU 39 H GLU 39 -1.101 -17.848 6.209 323 HA GLU 39 HA GLU 39 -1.792 -15.685 4.551 324 HB2 GLU 39 2HB GLU 39 -1.563 -18.635 3.862 325 HB3 GLU 39 3HB GLU 39 -1.738 -17.345 2.673 326 HG2 GLU 39 2HG GLU 39 0.407 -16.344 3.539 327 HG3 GLU 39 3HG GLU 39 0.596 -17.765 4.566 328 H LYS 40 H LYS 40 -3.961 -17.847 6.171 329 HA LYS 40 HA LYS 40 -6.009 -17.946 4.141 330 HB2 LYS 40 2HB LYS 40 -6.266 -18.466 7.139 331 HB3 LYS 40 3HB LYS 40 -7.488 -18.842 5.922 332 HG2 LYS 40 2HG LYS 40 -5.863 -20.410 4.839 333 HG3 LYS 40 3HG LYS 40 -4.726 -20.081 6.150 334 HD2 LYS 40 2HD LYS 40 -5.902 -22.181 6.567 335 HD3 LYS 40 3HD LYS 40 -6.355 -20.985 7.783 336 HE2 LYS 40 2HE LYS 40 -8.299 -22.297 6.992 337 HE3 LYS 40 3HE LYS 40 -8.485 -20.582 6.631 338 HZ1 LYS 40 3HZ LYS 40 -9.141 -22.046 4.791 339 HZ2 LYS 40 1HZ LYS 40 -7.563 -22.633 4.685 340 HZ3 LYS 40 2HZ LYS 40 -7.882 -21.007 4.353 341 H ARG 41 H ARG 41 -5.829 -16.249 7.303 342 HA ARG 41 HA ARG 41 -8.119 -14.599 6.816 343 HB2 ARG 41 2HB ARG 41 -5.921 -13.994 8.835 344 HB3 ARG 41 3HB ARG 41 -7.616 -13.515 8.906 345 HG2 ARG 41 2HG ARG 41 -6.510 -16.320 9.235 346 HG3 ARG 41 3HG ARG 41 -7.155 -15.294 10.513 347 HD2 ARG 41 2HD ARG 41 -9.389 -15.519 9.700 348 HD3 ARG 41 3HD ARG 41 -8.848 -16.178 8.151 349 HE ARG 41 HE ARG 41 -8.406 -17.660 10.671 350 HH11 ARG 41 1HH1 ARG 41 -9.852 -17.535 7.463 351 HH12 ARG 41 2HH1 ARG 41 -10.288 -19.211 7.475 352 HH21 ARG 41 1HH2 ARG 41 -8.913 -19.871 10.613 353 HH22 ARG 41 2HH2 ARG 41 -9.758 -20.531 9.249 354 H LEU 42 H LEU 42 -4.773 -14.390 6.079 355 HA LEU 42 HA LEU 42 -4.379 -11.673 5.559 356 HB2 LEU 42 2HB LEU 42 -2.612 -13.359 5.799 357 HB3 LEU 42 3HB LEU 42 -3.167 -14.182 4.356 358 HG LEU 42 HG LEU 42 -2.400 -12.315 2.947 359 HD11 LEU 42 1HD1 LEU 42 -1.168 -10.437 3.912 360 HD12 LEU 42 2HD1 LEU 42 -1.549 -11.002 5.535 361 HD13 LEU 42 3HD1 LEU 42 -2.840 -10.467 4.458 362 HD21 LEU 42 3HD2 LEU 42 0.024 -12.561 3.304 363 HD22 LEU 42 1HD2 LEU 42 -0.798 -14.111 3.488 364 HD23 LEU 42 2HD2 LEU 42 -0.262 -13.221 4.917 365 H GLU 43 H GLU 43 -5.285 -14.363 3.330 366 HA GLU 43 HA GLU 43 -5.589 -12.789 1.002 367 HB2 GLU 43 2HB GLU 43 -6.691 -15.506 1.799 368 HB3 GLU 43 3HB GLU 43 -7.026 -14.797 0.223 369 HG2 GLU 43 2HG GLU 43 -4.219 -15.264 1.257 370 HG3 GLU 43 3HG GLU 43 -5.115 -16.460 0.326 371 H GLU 44 H GLU 44 -7.859 -13.673 3.560 372 HA GLU 44 HA GLU 44 -10.249 -12.682 2.374 373 HB2 GLU 44 2HB GLU 44 -9.472 -13.141 5.288 374 HB3 GLU 44 3HB GLU 44 -11.113 -12.781 4.745 375 HG2 GLU 44 2HG GLU 44 -11.267 -14.862 3.541 376 HG3 GLU 44 3HG GLU 44 -9.540 -15.174 3.749 377 H LYS 45 H LYS 45 -7.766 -11.248 4.437 378 HA LYS 45 HA LYS 45 -8.904 -8.736 5.025 379 HB2 LYS 45 2HB LYS 45 -6.877 -9.830 6.121 380 HB3 LYS 45 3HB LYS 45 -5.951 -9.459 4.681 381 HG2 LYS 45 2HG LYS 45 -5.339 -7.836 6.274 382 HG3 LYS 45 3HG LYS 45 -6.403 -7.001 5.145 383 HD2 LYS 45 2HD LYS 45 -7.526 -8.150 7.722 384 HD3 LYS 45 3HD LYS 45 -6.655 -6.618 7.744 385 HE2 LYS 45 2HE LYS 45 -9.195 -7.237 6.197 386 HE3 LYS 45 3HE LYS 45 -9.017 -6.155 7.584 387 HZ1 LYS 45 3HZ LYS 45 -9.047 -4.808 5.680 388 HZ2 LYS 45 1HZ LYS 45 -7.938 -5.775 4.851 389 HZ3 LYS 45 2HZ LYS 45 -7.437 -4.854 6.175 390 H ILE 46 H ILE 46 -6.900 -9.917 2.410 391 HA ILE 46 HA ILE 46 -6.486 -7.583 0.889 392 HB ILE 46 HB ILE 46 -6.508 -10.546 0.139 393 HG12 ILE 46 2HG1 ILE 46 -4.219 -8.597 0.631 394 HG13 ILE 46 3HG1 ILE 46 -4.763 -9.840 1.745 395 HG21 ILE 46 1HG2 ILE 46 -5.554 -8.272 -1.632 396 HG22 ILE 46 2HG2 ILE 46 -6.963 -9.291 -1.922 397 HG23 ILE 46 3HG2 ILE 46 -5.348 -9.995 -1.963 398 HD11 ILE 46 3HD1 ILE 46 -2.748 -10.509 0.652 399 HD12 ILE 46 1HD1 ILE 46 -3.478 -10.278 -0.938 400 HD13 ILE 46 2HD1 ILE 46 -4.073 -11.549 0.135 401 H GLN 47 H GLN 47 -9.060 -10.111 0.728 402 HA GLN 47 HA GLN 47 -10.305 -9.155 -1.639 403 HB2 GLN 47 2HB GLN 47 -11.661 -10.773 0.567 404 HB3 GLN 47 3HB GLN 47 -12.224 -10.587 -1.091 405 HG2 GLN 47 2HG GLN 47 -9.853 -12.149 -0.084 406 HG3 GLN 47 3HG GLN 47 -11.265 -12.752 -0.938 407 HE21 GLN 47 1HE2 GLN 47 -8.168 -11.241 -1.232 408 HE22 GLN 47 2HE2 GLN 47 -8.031 -11.350 -2.951 409 H LYS 48 H LYS 48 -10.887 -8.487 1.797 410 HA LYS 48 HA LYS 48 -13.224 -6.926 1.556 411 HB2 LYS 48 2HB LYS 48 -11.029 -6.821 3.673 412 HB3 LYS 48 3HB LYS 48 -12.589 -6.007 3.813 413 HG2 LYS 48 2HG LYS 48 -12.143 -8.998 3.626 414 HG3 LYS 48 3HG LYS 48 -12.558 -8.095 5.085 415 HD2 LYS 48 2HD LYS 48 -14.746 -7.509 4.138 416 HD3 LYS 48 3HD LYS 48 -14.326 -8.293 2.609 417 HE2 LYS 48 2HE LYS 48 -14.694 -9.655 5.301 418 HE3 LYS 48 3HE LYS 48 -15.761 -9.768 3.901 419 HZ1 LYS 48 3HZ LYS 48 -14.409 -11.707 3.997 420 HZ2 LYS 48 1HZ LYS 48 -12.987 -10.798 4.107 421 HZ3 LYS 48 2HZ LYS 48 -13.890 -10.789 2.677 422 H LEU 49 H LEU 49 -9.776 -5.998 1.632 423 HA LEU 49 HA LEU 49 -10.231 -3.191 1.390 424 HB2 LEU 49 2HB LEU 49 -7.780 -4.877 0.820 425 HB3 LEU 49 3HB LEU 49 -7.781 -3.121 0.746 426 HG LEU 49 HG LEU 49 -8.390 -4.728 3.258 427 HD11 LEU 49 1HD1 LEU 49 -6.160 -4.069 4.015 428 HD12 LEU 49 2HD1 LEU 49 -5.833 -3.301 2.461 429 HD13 LEU 49 3HD1 LEU 49 -6.070 -5.049 2.555 430 HD21 LEU 49 3HD2 LEU 49 -8.140 -2.576 4.428 431 HD22 LEU 49 1HD2 LEU 49 -9.460 -2.520 3.261 432 HD23 LEU 49 2HD2 LEU 49 -7.919 -1.745 2.884 433 H LYS 50 H LYS 50 -9.844 -5.775 -1.057 434 HA LYS 50 HA LYS 50 -9.558 -4.019 -3.304 435 HB2 LYS 50 2HB LYS 50 -10.323 -6.963 -3.100 436 HB3 LYS 50 3HB LYS 50 -10.144 -6.120 -4.638 437 HG2 LYS 50 2HG LYS 50 -7.763 -5.656 -4.130 438 HG3 LYS 50 3HG LYS 50 -7.939 -6.447 -2.562 439 HD2 LYS 50 2HD LYS 50 -6.848 -7.965 -4.123 440 HD3 LYS 50 3HD LYS 50 -8.443 -8.592 -3.702 441 HE2 LYS 50 2HE LYS 50 -7.989 -8.874 -6.096 442 HE3 LYS 50 3HE LYS 50 -9.337 -7.765 -5.852 443 HZ1 LYS 50 3HZ LYS 50 -7.810 -6.973 -7.553 444 HZ2 LYS 50 1HZ LYS 50 -6.531 -6.969 -6.444 445 HZ3 LYS 50 2HZ LYS 50 -7.828 -5.915 -6.243 446 H SER 51 H SER 51 -12.292 -5.621 -1.704 447 HA SER 51 HA SER 51 -14.361 -4.624 -3.343 448 HB2 SER 51 2HB SER 51 -14.649 -6.495 -1.741 449 HB3 SER 51 3HB SER 51 -14.445 -5.381 -0.389 450 HG SER 51 HG SER 51 -16.499 -5.289 -2.351 451 H GLN 52 H GLN 52 -12.657 -3.215 -0.584 452 HA GLN 52 HA GLN 52 -14.160 -0.787 -0.382 453 HB2 GLN 52 2HB GLN 52 -11.302 -1.435 0.439 454 HB3 GLN 52 3HB GLN 52 -12.054 0.128 0.742 455 HG2 GLN 52 2HG GLN 52 -13.722 -0.901 2.191 456 HG3 GLN 52 3HG GLN 52 -13.093 -2.510 1.829 457 HE21 GLN 52 1HE2 GLN 52 -11.034 0.316 2.393 458 HE22 GLN 52 2HE2 GLN 52 -10.386 -0.255 3.884 459 H GLY 53 H GLY 53 -11.859 -1.905 -2.674 460 HA2 GLY 53 2HA GLY 53 -11.472 -0.959 -4.770 461 HA3 GLY 53 3HA GLY 53 -11.977 0.617 -4.168 462 H PHE 54 H PHE 54 -9.573 -1.723 -2.971 463 HA PHE 54 HA PHE 54 -7.349 0.145 -3.633 464 HB2 PHE 54 2HB PHE 54 -7.534 -1.763 -1.240 465 HB3 PHE 54 3HB PHE 54 -6.106 -0.832 -1.671 466 HD1 PHE 54 HD2 PHE 54 -6.186 1.698 -1.507 467 HD2 PHE 54 HD1 PHE 54 -9.277 -0.795 0.094 468 HE1 PHE 54 HE2 PHE 54 -6.972 3.547 -0.096 469 HE2 PHE 54 HE1 PHE 54 -10.044 1.073 1.503 470 HZ PHE 54 HZ PHE 54 -8.885 3.237 1.403 471 H GLU 55 H GLU 55 -5.723 -0.831 -4.897 472 HA GLU 55 HA GLU 55 -6.073 -3.613 -5.642 473 HB2 GLU 55 2HB GLU 55 -5.338 -2.041 -7.384 474 HB3 GLU 55 3HB GLU 55 -3.864 -1.697 -6.482 475 HG2 GLU 55 2HG GLU 55 -3.470 -3.284 -8.352 476 HG3 GLU 55 3HG GLU 55 -3.077 -3.995 -6.789 477 H VAL 56 H VAL 56 -5.565 -5.033 -4.162 478 HA VAL 56 HA VAL 56 -3.205 -4.660 -2.416 479 HB VAL 56 HB VAL 56 -5.724 -6.277 -1.793 480 HG11 VAL 56 1HG1 VAL 56 -3.418 -5.404 -0.011 481 HG12 VAL 56 2HG1 VAL 56 -3.728 -7.048 -0.578 482 HG13 VAL 56 3HG1 VAL 56 -4.862 -6.267 0.526 483 HG21 VAL 56 3HG2 VAL 56 -6.317 -3.911 -1.959 484 HG22 VAL 56 1HG2 VAL 56 -4.985 -3.475 -0.887 485 HG23 VAL 56 2HG2 VAL 56 -6.334 -4.422 -0.275 486 H ARG 57 H ARG 57 -1.724 -6.277 -2.338 487 HA ARG 57 HA ARG 57 -2.163 -8.761 -3.908 488 HB2 ARG 57 2HB ARG 57 0.510 -7.269 -3.861 489 HB3 ARG 57 3HB ARG 57 0.011 -8.568 -4.934 490 HG2 ARG 57 2HG ARG 57 -0.924 -5.686 -5.004 491 HG3 ARG 57 3HG ARG 57 0.168 -6.471 -6.143 492 HD2 ARG 57 2HD ARG 57 -2.763 -7.146 -5.745 493 HD3 ARG 57 3HD ARG 57 -2.098 -6.180 -7.061 494 HE ARG 57 HE ARG 57 -0.759 -8.573 -7.205 495 HH11 ARG 57 1HH1 ARG 57 -4.152 -7.631 -7.343 496 HH12 ARG 57 2HH1 ARG 57 -4.595 -8.955 -8.375 497 HH21 ARG 57 1HH2 ARG 57 -1.372 -10.292 -8.584 498 HH22 ARG 57 2HH2 ARG 57 -3.030 -10.452 -9.073 499 H LYS 58 H LYS 58 -1.273 -10.611 -2.876 500 HA LYS 58 HA LYS 58 -0.009 -10.298 -0.255 501 HB2 LYS 58 2HB LYS 58 -1.660 -12.149 -0.607 502 HB3 LYS 58 3HB LYS 58 -0.618 -12.849 -1.838 503 HG2 LYS 58 2HG LYS 58 1.082 -13.389 -0.191 504 HG3 LYS 58 3HG LYS 58 0.232 -12.471 1.053 505 HD2 LYS 58 2HD LYS 58 -0.120 -14.857 1.402 506 HD3 LYS 58 3HD LYS 58 -1.645 -14.080 0.971 507 HE2 LYS 58 2HE LYS 58 -1.426 -16.239 -0.157 508 HE3 LYS 58 3HE LYS 58 -1.399 -14.940 -1.352 509 HZ1 LYS 58 3HZ LYS 58 1.016 -15.127 -1.410 510 HZ2 LYS 58 1HZ LYS 58 0.286 -16.601 -1.806 511 HZ3 LYS 58 2HZ LYS 58 0.968 -16.375 -0.276 512 H VAL 59 H VAL 59 2.149 -10.491 0.079 513 HA VAL 59 HA VAL 59 3.903 -10.943 -2.272 514 HB VAL 59 HB VAL 59 5.589 -9.434 -1.005 515 HG11 VAL 59 1HG1 VAL 59 4.434 -8.727 -3.063 516 HG12 VAL 59 2HG1 VAL 59 4.637 -7.370 -1.954 517 HG13 VAL 59 3HG1 VAL 59 3.060 -8.150 -2.113 518 HG21 VAL 59 3HG2 VAL 59 3.058 -8.601 0.475 519 HG22 VAL 59 1HG2 VAL 59 4.598 -7.738 0.523 520 HG23 VAL 59 2HG2 VAL 59 4.479 -9.369 1.187 521 H LYS 60 H LYS 60 5.916 -11.882 -1.886 522 HA LYS 60 HA LYS 60 5.712 -14.232 -0.269 523 HB2 LYS 60 2HB LYS 60 8.142 -13.256 -1.844 524 HB3 LYS 60 3HB LYS 60 7.797 -14.912 -1.342 525 HG2 LYS 60 2HG LYS 60 5.919 -15.042 -2.892 526 HG3 LYS 60 3HG LYS 60 6.108 -13.336 -3.320 527 HD2 LYS 60 2HD LYS 60 8.437 -13.919 -4.180 528 HD3 LYS 60 3HD LYS 60 8.024 -15.624 -3.939 529 HE2 LYS 60 2HE LYS 60 7.655 -14.987 -6.272 530 HE3 LYS 60 3HE LYS 60 6.110 -15.355 -5.504 531 HZ1 LYS 60 3HZ LYS 60 5.995 -13.356 -6.866 532 HZ2 LYS 60 1HZ LYS 60 7.198 -12.617 -5.940 533 HZ3 LYS 60 2HZ LYS 60 5.705 -12.992 -5.244 534 H ASP 61 H ASP 61 7.698 -11.303 -0.207 535 HA ASP 61 HA ASP 61 8.285 -11.291 2.545 536 HB2 ASP 61 2HB ASP 61 10.767 -11.811 2.434 537 HB3 ASP 61 3HB ASP 61 9.724 -13.204 2.180 538 H ASP 62 H ASP 62 10.534 -9.756 2.796 539 HA ASP 62 HA ASP 62 9.730 -7.254 1.750 540 HB2 ASP 62 2HB ASP 62 12.268 -8.070 3.223 541 HB3 ASP 62 3HB ASP 62 11.901 -6.398 2.801 542 H ASP 63 H ASP 63 12.623 -9.214 0.946 543 HA ASP 63 HA ASP 63 13.702 -7.766 -1.138 544 HB2 ASP 63 2HB ASP 63 13.353 -10.804 -1.118 545 HB3 ASP 63 3HB ASP 63 14.354 -9.943 -2.283 546 H ASP 64 H ASP 64 10.772 -9.723 -1.212 547 HA ASP 64 HA ASP 64 10.253 -9.553 -4.030 548 HB2 ASP 64 2HB ASP 64 9.329 -11.350 -2.501 549 HB3 ASP 64 3HB ASP 64 8.290 -10.140 -1.758 550 H ILE 65 H ILE 65 9.252 -7.733 -1.160 551 HA ILE 65 HA ILE 65 7.339 -5.985 -2.305 552 HB ILE 65 HB ILE 65 9.118 -5.622 0.149 553 HG12 ILE 65 2HG1 ILE 65 6.161 -6.347 -0.067 554 HG13 ILE 65 3HG1 ILE 65 7.460 -7.495 0.226 555 HG21 ILE 65 1HG2 ILE 65 6.772 -3.865 -0.669 556 HG22 ILE 65 2HG2 ILE 65 8.468 -3.381 -0.629 557 HG23 ILE 65 3HG2 ILE 65 7.631 -3.780 0.871 558 HD11 ILE 65 3HD1 ILE 65 6.296 -6.966 2.265 559 HD12 ILE 65 1HD1 ILE 65 6.636 -5.247 2.060 560 HD13 ILE 65 2HD1 ILE 65 7.957 -6.384 2.350 561 H ASP 66 H ASP 66 10.843 -5.400 -1.669 562 HA ASP 66 HA ASP 66 11.007 -2.767 -2.536 563 HB2 ASP 66 2HB ASP 66 12.784 -3.923 -1.254 564 HB3 ASP 66 3HB ASP 66 13.167 -4.929 -2.648 565 H LYS 67 H LYS 67 11.930 -5.654 -4.389 566 HA LYS 67 HA LYS 67 12.128 -4.373 -6.899 567 HB2 LYS 67 2HB LYS 67 12.162 -7.211 -5.990 568 HB3 LYS 67 3HB LYS 67 11.715 -6.969 -7.668 569 HG2 LYS 67 2HG LYS 67 14.082 -7.389 -7.568 570 HG3 LYS 67 3HG LYS 67 13.829 -5.713 -8.045 571 HD2 LYS 67 2HD LYS 67 15.669 -5.785 -6.493 572 HD3 LYS 67 3HD LYS 67 14.305 -5.024 -5.672 573 HE2 LYS 67 2HE LYS 67 15.515 -6.616 -4.215 574 HE3 LYS 67 3HE LYS 67 13.843 -7.105 -4.468 575 HZ1 LYS 67 3HZ LYS 67 16.208 -8.234 -5.872 576 HZ2 LYS 67 1HZ LYS 67 14.608 -8.719 -6.111 577 HZ3 LYS 67 2HZ LYS 67 15.358 -8.982 -4.623 578 H TRP 68 H TRP 68 9.274 -5.511 -5.224 579 HA TRP 68 HA TRP 68 7.466 -5.671 -7.404 580 HB2 TRP 68 2HB TRP 68 7.015 -6.415 -4.980 581 HB3 TRP 68 3HB TRP 68 6.734 -4.727 -4.580 582 HD1 TRP 68 HD1 TRP 68 5.156 -7.718 -6.268 583 HE1 TRP 68 HE1 TRP 68 2.708 -7.188 -6.848 584 HE3 TRP 68 HE3 TRP 68 5.093 -2.749 -5.118 585 HZ2 TRP 68 HZ2 TRP 68 0.978 -4.965 -6.818 586 HZ3 TRP 68 HZ3 TRP 68 3.001 -1.489 -5.394 587 HH2 TRP 68 HH2 TRP 68 0.985 -2.587 -6.228 588 H ILE 69 H ILE 69 8.646 -2.998 -5.470 589 HA ILE 69 HA ILE 69 7.022 -0.942 -6.700 590 HB ILE 69 HB ILE 69 9.299 -0.989 -4.703 591 HG12 ILE 69 2HG1 ILE 69 7.649 0.434 -3.371 592 HG13 ILE 69 3HG1 ILE 69 6.488 0.195 -4.667 593 HG21 ILE 69 1HG2 ILE 69 10.024 0.832 -6.143 594 HG22 ILE 69 2HG2 ILE 69 9.435 1.476 -4.610 595 HG23 ILE 69 3HG2 ILE 69 8.428 1.579 -6.056 596 HD11 ILE 69 3HD1 ILE 69 6.080 -1.280 -2.792 597 HD12 ILE 69 1HD1 ILE 69 7.698 -1.959 -2.944 598 HD13 ILE 69 2HD1 ILE 69 6.511 -2.211 -4.224 599 H ASP 70 H ASP 70 10.287 -2.232 -7.087 600 HA ASP 70 HA ASP 70 11.403 -0.198 -8.673 601 HB2 ASP 70 2HB ASP 70 12.754 -1.856 -7.410 602 HB3 ASP 70 3HB ASP 70 12.216 -3.133 -8.501 603 H LYS 71 H LYS 71 9.653 -3.143 -9.582 604 HA LYS 71 HA LYS 71 10.134 -2.963 -12.372 605 HB2 LYS 71 2HB LYS 71 8.316 -4.623 -12.622 606 HB3 LYS 71 3HB LYS 71 9.476 -5.083 -11.381 607 HG2 LYS 71 2HG LYS 71 7.884 -4.270 -9.637 608 HG3 LYS 71 3HG LYS 71 6.700 -3.935 -10.903 609 HD2 LYS 71 2HD LYS 71 7.866 -6.675 -10.244 610 HD3 LYS 71 3HD LYS 71 6.277 -6.089 -9.747 611 HE2 LYS 71 2HE LYS 71 7.161 -6.481 -12.633 612 HE3 LYS 71 3HE LYS 71 6.148 -7.594 -11.713 613 HZ1 LYS 71 3HZ LYS 71 5.446 -4.782 -12.355 614 HZ2 LYS 71 1HZ LYS 71 4.472 -5.886 -11.524 615 HZ3 LYS 71 2HZ LYS 71 4.852 -6.145 -13.148 616 H ILE 72 H ILE 72 7.548 -1.639 -10.283 617 HA ILE 72 HA ILE 72 5.861 -0.757 -12.423 618 HB ILE 72 HB ILE 72 5.897 0.338 -9.562 619 HG12 ILE 72 2HG1 ILE 72 4.238 -1.961 -10.718 620 HG13 ILE 72 3HG1 ILE 72 5.552 -2.129 -9.559 621 HG21 ILE 72 1HG2 ILE 72 3.713 0.412 -11.693 622 HG22 ILE 72 2HG2 ILE 72 4.667 1.788 -11.140 623 HG23 ILE 72 3HG2 ILE 72 3.542 0.998 -10.037 624 HD11 ILE 72 3HD1 ILE 72 3.390 -2.315 -8.489 625 HD12 ILE 72 1HD1 ILE 72 2.937 -0.709 -9.061 626 HD13 ILE 72 2HD1 ILE 72 4.256 -0.897 -7.903 627 H LYS 73 H LYS 73 8.526 0.748 -10.594 628 HA LYS 73 HA LYS 73 8.294 3.376 -11.606 629 HB2 LYS 73 2HB LYS 73 10.787 1.887 -10.685 630 HB3 LYS 73 3HB LYS 73 10.708 3.623 -10.988 631 HG2 LYS 73 2HG LYS 73 8.916 3.766 -9.218 632 HG3 LYS 73 3HG LYS 73 9.235 2.075 -8.834 633 HD2 LYS 73 2HD LYS 73 11.311 4.298 -8.682 634 HD3 LYS 73 3HD LYS 73 10.358 3.736 -7.310 635 HE2 LYS 73 2HE LYS 73 12.455 2.646 -7.127 636 HE3 LYS 73 3HE LYS 73 11.351 1.423 -7.730 637 HZ1 LYS 73 3HZ LYS 73 13.557 1.461 -8.825 638 HZ2 LYS 73 1HZ LYS 73 13.199 2.985 -9.456 639 HZ3 LYS 73 2HZ LYS 73 12.277 1.642 -9.911 640 H LYS 74 H LYS 74 9.728 0.457 -12.940 641 HA LYS 74 HA LYS 74 11.022 1.700 -15.186 642 HB2 LYS 74 2HB LYS 74 11.758 -0.495 -14.312 643 HB3 LYS 74 3HB LYS 74 10.207 -1.208 -14.744 644 HG2 LYS 74 2HG LYS 74 10.680 -0.943 -17.120 645 HG3 LYS 74 3HG LYS 74 12.139 -0.014 -16.766 646 HD2 LYS 74 2HD LYS 74 12.772 -2.266 -17.403 647 HD3 LYS 74 3HD LYS 74 13.138 -2.033 -15.696 648 HE2 LYS 74 2HE LYS 74 12.183 -4.235 -15.989 649 HE3 LYS 74 3HE LYS 74 11.002 -3.245 -15.134 650 HZ1 LYS 74 3HZ LYS 74 9.962 -4.567 -16.856 651 HZ2 LYS 74 1HZ LYS 74 10.964 -3.892 -18.037 652 HZ3 LYS 74 2HZ LYS 74 9.832 -2.926 -17.238 653 H GLU 75 H GLU 75 7.847 0.165 -14.620 654 HA GLU 75 HA GLU 75 6.943 0.298 -17.340 655 HB2 GLU 75 2HB GLU 75 5.182 0.163 -14.853 656 HB3 GLU 75 3HB GLU 75 4.739 -0.296 -16.495 657 HG2 GLU 75 2HG GLU 75 6.610 -1.711 -14.599 658 HG3 GLU 75 3HG GLU 75 5.100 -2.308 -15.266 659 H ARG 76 H ARG 76 6.809 2.504 -14.611 660 HA ARG 76 HA ARG 76 5.590 4.616 -16.238 661 HB2 ARG 76 2HB ARG 76 4.487 3.684 -13.550 662 HB3 ARG 76 3HB ARG 76 4.065 5.224 -14.296 663 HG2 ARG 76 2HG ARG 76 3.054 4.049 -16.204 664 HG3 ARG 76 3HG ARG 76 3.521 2.495 -15.513 665 HD2 ARG 76 2HD ARG 76 2.060 2.948 -13.553 666 HD3 ARG 76 3HD ARG 76 1.581 4.480 -14.290 667 HE ARG 76 HE ARG 76 0.284 3.352 -15.840 668 HH11 ARG 76 1HH1 ARG 76 2.068 1.005 -13.920 669 HH12 ARG 76 2HH1 ARG 76 1.131 -0.341 -14.474 670 HH21 ARG 76 1HH2 ARG 76 -0.930 1.582 -16.565 671 HH22 ARG 76 2HH2 ARG 76 -0.573 -0.009 -15.975 672 HA PRO 77 HA PRO 77 8.977 6.589 -13.758 673 HB2 PRO 77 2HB PRO 77 9.923 8.160 -15.787 674 HB3 PRO 77 3HB PRO 77 10.413 6.462 -15.600 675 HG2 PRO 77 2HG PRO 77 8.329 7.619 -17.437 676 HG3 PRO 77 3HG PRO 77 9.601 6.426 -17.793 677 HD2 PRO 77 2HD PRO 77 7.023 5.688 -17.289 678 HD3 PRO 77 3HD PRO 77 8.409 4.663 -16.845 679 H GLN 78 H GLN 78 6.153 7.613 -15.479 680 HA GLN 78 HA GLN 78 6.261 10.411 -15.291 681 HB2 GLN 78 2HB GLN 78 3.845 10.395 -15.710 682 HB3 GLN 78 3HB GLN 78 4.635 9.190 -16.719 683 HG2 GLN 78 2HG GLN 78 3.907 7.414 -15.145 684 HG3 GLN 78 3HG GLN 78 3.099 8.624 -14.159 685 HE21 GLN 78 1HE2 GLN 78 2.065 10.106 -16.514 686 HE22 GLN 78 2HE2 GLN 78 0.775 9.135 -17.120 687 H LEU 79 H LEU 79 5.473 8.032 -12.892 688 HA LEU 79 HA LEU 79 4.433 10.039 -10.986 689 HB2 LEU 79 2HB LEU 79 3.408 7.969 -9.871 690 HB3 LEU 79 3HB LEU 79 2.710 8.487 -11.390 691 HG LEU 79 HG LEU 79 4.203 6.610 -12.472 692 HD11 LEU 79 1HD1 LEU 79 4.182 5.580 -9.620 693 HD12 LEU 79 2HD1 LEU 79 5.601 6.097 -10.534 694 HD13 LEU 79 3HD1 LEU 79 4.695 4.680 -11.052 695 HD21 LEU 79 3HD2 LEU 79 1.774 6.521 -12.429 696 HD22 LEU 79 1HD2 LEU 79 1.791 5.894 -10.781 697 HD23 LEU 79 2HD2 LEU 79 2.441 4.925 -12.103 698 H GLU 80 H GLU 80 5.047 9.718 -8.727 699 HA GLU 80 HA GLU 80 7.614 8.295 -8.346 700 HB2 GLU 80 2HB GLU 80 7.544 9.521 -6.026 701 HB3 GLU 80 3HB GLU 80 8.062 10.379 -7.456 702 HG2 GLU 80 2HG GLU 80 5.283 10.596 -6.305 703 HG3 GLU 80 3HG GLU 80 6.598 11.655 -5.832 704 H VAL 81 H VAL 81 7.831 7.185 -6.155 705 HA VAL 81 HA VAL 81 5.376 5.730 -5.410 706 HB VAL 81 HB VAL 81 7.998 4.230 -5.910 707 HG11 VAL 81 1HG1 VAL 81 6.457 3.202 -4.283 708 HG12 VAL 81 2HG1 VAL 81 6.574 2.222 -5.743 709 HG13 VAL 81 3HG1 VAL 81 5.153 3.232 -5.476 710 HG21 VAL 81 3HG2 VAL 81 5.626 4.397 -7.819 711 HG22 VAL 81 1HG2 VAL 81 6.999 3.299 -7.991 712 HG23 VAL 81 2HG2 VAL 81 7.241 5.043 -8.104 713 H ARG 82 H ARG 82 5.206 5.538 -3.239 714 HA ARG 82 HA ARG 82 7.619 5.861 -1.526 715 HB2 ARG 82 2HB ARG 82 6.049 7.850 -1.660 716 HB3 ARG 82 3HB ARG 82 4.792 6.839 -0.962 717 HG2 ARG 82 2HG ARG 82 5.694 8.201 0.769 718 HG3 ARG 82 3HG ARG 82 6.231 6.551 1.076 719 HD2 ARG 82 2HD ARG 82 8.456 7.054 0.370 720 HD3 ARG 82 3HD ARG 82 7.968 8.582 -0.370 721 HE ARG 82 HE ARG 82 8.486 8.054 2.442 722 HH11 ARG 82 1HH1 ARG 82 7.155 10.351 0.119 723 HH12 ARG 82 2HH1 ARG 82 7.260 11.682 1.224 724 HH21 ARG 82 1HH2 ARG 82 8.572 9.826 3.865 725 HH22 ARG 82 2HH2 ARG 82 8.052 11.389 3.317 726 H LYS 83 H LYS 83 7.944 4.170 -0.148 727 HA LYS 83 HA LYS 83 5.875 2.104 0.159 728 HB2 LYS 83 2HB LYS 83 8.802 2.060 1.021 729 HB3 LYS 83 3HB LYS 83 7.664 0.717 1.166 730 HG2 LYS 83 2HG LYS 83 7.397 0.930 -1.408 731 HG3 LYS 83 3HG LYS 83 8.871 1.900 -1.346 732 HD2 LYS 83 2HD LYS 83 8.562 -0.993 -0.432 733 HD3 LYS 83 3HD LYS 83 9.379 -0.437 -1.894 734 HE2 LYS 83 2HE LYS 83 10.258 0.096 0.967 735 HE3 LYS 83 3HE LYS 83 11.020 -1.001 -0.186 736 HZ1 LYS 83 3HZ LYS 83 11.582 0.863 -1.571 737 HZ2 LYS 83 1HZ LYS 83 12.187 1.100 -0.013 738 HZ3 LYS 83 2HZ LYS 83 10.816 1.939 -0.523 739 H VAL 84 H VAL 84 4.584 2.229 1.838 740 HA VAL 84 HA VAL 84 5.293 3.716 4.267 741 HB VAL 84 HB VAL 84 2.638 2.823 3.074 742 HG11 VAL 84 1HG1 VAL 84 3.022 4.221 5.749 743 HG12 VAL 84 2HG1 VAL 84 2.436 2.572 5.509 744 HG13 VAL 84 3HG1 VAL 84 1.477 3.937 4.941 745 HG21 VAL 84 3HG2 VAL 84 3.690 4.806 2.032 746 HG22 VAL 84 1HG2 VAL 84 3.763 5.604 3.608 747 HG23 VAL 84 2HG2 VAL 84 2.199 5.239 2.873 748 H THR 85 H THR 85 6.480 2.333 5.427 749 HA THR 85 HA THR 85 5.846 -0.496 5.694 750 HB THR 85 HB THR 85 7.999 -0.481 7.036 751 HG1 THR 85 HG1 THR 85 8.245 1.536 7.786 752 HG21 THR 85 3HG2 THR 85 8.151 0.745 4.249 753 HG22 THR 85 1HG2 THR 85 8.057 -0.981 4.607 754 HG23 THR 85 2HG2 THR 85 9.483 -0.056 5.085 755 H ASP 86 H ASP 86 5.007 2.319 7.347 756 HA ASP 86 HA ASP 86 3.631 0.847 9.434 757 HB2 ASP 86 2HB ASP 86 5.907 1.337 10.430 758 HB3 ASP 86 3HB ASP 86 5.623 3.054 10.192 759 H GLU 87 H GLU 87 1.977 2.239 10.480 760 HA GLU 87 HA GLU 87 0.564 3.912 8.772 761 HB2 GLU 87 2HB GLU 87 -0.863 4.467 10.668 762 HB3 GLU 87 3HB GLU 87 -0.402 2.769 10.770 763 HG2 GLU 87 2HG GLU 87 1.402 3.458 12.421 764 HG3 GLU 87 3HG GLU 87 0.699 5.076 12.401 765 H ASP 88 H ASP 88 3.116 4.758 11.053 766 HA ASP 88 HA ASP 88 2.942 7.536 11.192 767 HB2 ASP 88 2HB ASP 88 4.493 6.333 12.594 768 HB3 ASP 88 3HB ASP 88 5.327 5.643 11.208 769 H GLN 89 H GLN 89 4.536 5.485 8.762 770 HA GLN 89 HA GLN 89 5.616 7.521 7.144 771 HB2 GLN 89 2HB GLN 89 4.741 4.697 6.409 772 HB3 GLN 89 3HB GLN 89 5.696 5.742 5.363 773 HG2 GLN 89 2HG GLN 89 6.579 4.781 8.103 774 HG3 GLN 89 3HG GLN 89 7.034 4.026 6.576 775 HE21 GLN 89 1HE2 GLN 89 8.466 5.090 5.201 776 HE22 GLN 89 2HE2 GLN 89 9.453 6.410 5.715 777 H ALA 90 H ALA 90 2.441 5.935 7.149 778 HA ALA 90 HA ALA 90 1.373 7.145 4.814 779 HB1 ALA 90 3HB ALA 90 -0.077 6.046 7.242 780 HB2 ALA 90 1HB ALA 90 0.377 5.136 5.803 781 HB3 ALA 90 2HB ALA 90 -0.823 6.423 5.686 782 H LYS 91 H LYS 91 1.585 8.172 8.178 783 HA LYS 91 HA LYS 91 -0.154 10.460 7.920 784 HB2 LYS 91 2HB LYS 91 1.812 9.640 10.095 785 HB3 LYS 91 3HB LYS 91 0.749 11.044 10.204 786 HG2 LYS 91 2HG LYS 91 -1.232 9.632 10.182 787 HG3 LYS 91 3HG LYS 91 -0.250 8.196 9.868 788 HD2 LYS 91 2HD LYS 91 -0.899 8.286 12.241 789 HD3 LYS 91 3HD LYS 91 0.850 8.440 12.066 790 HE2 LYS 91 2HE LYS 91 0.606 10.927 12.323 791 HE3 LYS 91 3HE LYS 91 -1.120 10.693 12.609 792 HZ1 LYS 91 3HZ LYS 91 1.088 9.614 14.283 793 HZ2 LYS 91 1HZ LYS 91 -0.556 9.326 14.538 794 HZ3 LYS 91 2HZ LYS 91 0.059 10.893 14.682 795 H GLN 92 H GLN 92 3.315 9.858 7.661 796 HA GLN 92 HA GLN 92 4.231 12.549 7.679 797 HB2 GLN 92 2HB GLN 92 5.439 9.987 6.539 798 HB3 GLN 92 3HB GLN 92 6.270 11.538 6.452 799 HG2 GLN 92 2HG GLN 92 5.431 10.163 9.021 800 HG3 GLN 92 3HG GLN 92 7.051 10.119 8.330 801 HE21 GLN 92 1HE2 GLN 92 7.108 12.913 7.501 802 HE22 GLN 92 2HE2 GLN 92 7.228 13.844 8.947 803 H ILE 93 H ILE 93 3.351 10.287 5.081 804 HA ILE 93 HA ILE 93 3.826 12.167 2.989 805 HB ILE 93 HB ILE 93 2.885 10.584 1.425 806 HG12 ILE 93 2HG1 ILE 93 1.978 8.956 3.850 807 HG13 ILE 93 3HG1 ILE 93 0.915 9.831 2.752 808 HG21 ILE 93 1HG2 ILE 93 5.166 10.203 2.210 809 HG22 ILE 93 2HG2 ILE 93 4.371 8.658 1.911 810 HG23 ILE 93 3HG2 ILE 93 4.573 9.234 3.565 811 HD11 ILE 93 3HD1 ILE 93 0.942 7.455 2.301 812 HD12 ILE 93 1HD1 ILE 93 2.673 7.509 1.987 813 HD13 ILE 93 2HD1 ILE 93 1.551 8.374 0.931 814 H LEU 94 H LEU 94 0.925 11.506 4.917 815 HA LEU 94 HA LEU 94 -0.938 12.965 3.450 816 HB2 LEU 94 2HB LEU 94 -0.527 12.929 6.468 817 HB3 LEU 94 3HB LEU 94 -1.905 13.711 5.712 818 HG LEU 94 HG LEU 94 -1.286 10.741 5.506 819 HD11 LEU 94 1HD1 LEU 94 -3.352 12.127 7.235 820 HD12 LEU 94 2HD1 LEU 94 -1.869 11.356 7.801 821 HD13 LEU 94 3HD1 LEU 94 -3.136 10.382 7.060 822 HD21 LEU 94 3HD2 LEU 94 -3.739 12.292 4.601 823 HD22 LEU 94 1HD2 LEU 94 -3.561 10.535 4.566 824 HD23 LEU 94 2HD2 LEU 94 -2.528 11.543 3.557 825 H GLU 95 H GLU 95 1.832 14.129 5.252 826 HA GLU 95 HA GLU 95 1.291 16.945 4.818 827 HB2 GLU 95 2HB GLU 95 3.900 15.649 5.719 828 HB3 GLU 95 3HB GLU 95 3.411 17.325 5.943 829 HG2 GLU 95 2HG GLU 95 2.167 14.896 7.290 830 HG3 GLU 95 3HG GLU 95 3.260 16.053 8.049 831 H ASP 96 H ASP 96 3.746 14.611 3.654 832 HA ASP 96 HA ASP 96 4.998 16.096 1.697 833 HB2 ASP 96 2HB ASP 96 4.458 13.112 1.605 834 HB3 ASP 96 3HB ASP 96 5.556 13.924 0.496 835 H LEU 97 H LEU 97 1.819 14.666 1.374 836 HA LEU 97 HA LEU 97 1.594 14.941 -1.497 837 HB2 LEU 97 2HB LEU 97 -0.244 14.127 0.741 838 HB3 LEU 97 3HB LEU 97 -0.991 14.639 -0.758 839 HG LEU 97 HG LEU 97 -0.149 12.769 -1.979 840 HD11 LEU 97 1HD1 LEU 97 2.194 12.794 -1.232 841 HD12 LEU 97 2HD1 LEU 97 1.516 11.169 -1.203 842 HD13 LEU 97 3HD1 LEU 97 1.710 12.072 0.307 843 HD21 LEU 97 3HD2 LEU 97 -1.969 12.194 -0.451 844 HD22 LEU 97 1HD2 LEU 97 -0.802 11.751 0.796 845 HD23 LEU 97 2HD2 LEU 97 -0.895 10.822 -0.704 846 H LYS 98 H LYS 98 1.176 16.928 1.211 847 HA LYS 98 HA LYS 98 -0.312 19.078 -0.125 848 HB2 LYS 98 2HB LYS 98 1.105 19.130 2.583 849 HB3 LYS 98 3HB LYS 98 -0.005 20.352 1.974 850 HG2 LYS 98 2HG LYS 98 -0.728 17.490 2.679 851 HG3 LYS 98 3HG LYS 98 -1.021 18.902 3.688 852 HD2 LYS 98 2HD LYS 98 -3.115 18.681 2.733 853 HD3 LYS 98 3HD LYS 98 -2.385 19.748 1.537 854 HE2 LYS 98 2HE LYS 98 -1.843 17.705 0.165 855 HE3 LYS 98 3HE LYS 98 -2.732 16.738 1.343 856 HZ1 LYS 98 3HZ LYS 98 -4.013 17.369 -0.653 857 HZ2 LYS 98 1HZ LYS 98 -3.925 18.984 -0.183 858 HZ3 LYS 98 2HZ LYS 98 -4.726 17.858 0.792 859 H LYS 99 H LYS 99 2.956 18.369 0.988 860 HA LYS 99 HA LYS 99 4.224 20.794 0.234 861 HB2 LYS 99 2HB LYS 99 5.387 18.015 0.726 862 HB3 LYS 99 3HB LYS 99 6.337 19.494 0.619 863 HG2 LYS 99 2HG LYS 99 5.499 20.328 2.682 864 HG3 LYS 99 3HG LYS 99 4.149 19.189 2.691 865 HD2 LYS 99 2HD LYS 99 5.903 18.552 4.339 866 HD3 LYS 99 3HD LYS 99 5.655 17.316 3.108 867 HE2 LYS 99 2HE LYS 99 7.676 18.146 1.910 868 HE3 LYS 99 3HE LYS 99 7.937 19.315 3.208 869 HZ1 LYS 99 3HZ LYS 99 9.280 17.311 3.461 870 HZ2 LYS 99 1HZ LYS 99 7.879 16.365 3.558 871 HZ3 LYS 99 2HZ LYS 99 8.212 17.512 4.750 872 H LYS 100 H LYS 100 4.992 17.585 -1.154 873 HA LYS 100 HA LYS 100 4.501 18.115 -3.871 874 HB2 LYS 100 2HB LYS 100 6.780 18.444 -4.741 875 HB3 LYS 100 3HB LYS 100 6.354 19.759 -3.655 876 HG2 LYS 100 2HG LYS 100 7.785 18.915 -1.909 877 HG3 LYS 100 3HG LYS 100 8.034 17.386 -2.758 878 HD2 LYS 100 2HD LYS 100 9.002 20.110 -3.723 879 HD3 LYS 100 3HD LYS 100 10.003 18.888 -2.932 880 HE2 LYS 100 2HE LYS 100 9.557 17.319 -4.811 881 HE3 LYS 100 3HE LYS 100 8.579 18.560 -5.601 882 HZ1 LYS 100 3HZ LYS 100 11.457 18.861 -4.942 883 HZ2 LYS 100 1HZ LYS 100 10.511 19.949 -5.815 884 HZ3 LYS 100 2HZ LYS 100 10.861 18.425 -6.461 885 H GLY 101 H GLY 101 5.314 16.401 -5.280 886 HA2 GLY 101 2HA GLY 101 5.695 13.818 -4.009 887 HA3 GLY 101 3HA GLY 101 5.622 14.155 -5.732 888 H SER 102 H SER 102 7.714 14.316 -2.892 889 HA SER 102 HA SER 102 10.112 14.986 -4.261 890 HB2 SER 102 2HB SER 102 11.166 14.304 -2.049 891 HB3 SER 102 3HB SER 102 9.889 15.510 -1.918 892 HG SER 102 HG SER 102 9.479 12.715 -1.518 893 H LEU 103 H LEU 103 10.559 13.625 -5.953 894 HA LEU 103 HA LEU 103 10.365 10.717 -5.670 895 HB2 LEU 103 2HB LEU 103 10.843 10.734 -8.166 896 HB3 LEU 103 3HB LEU 103 9.360 11.500 -7.634 897 HG LEU 103 HG LEU 103 10.602 13.760 -7.844 898 HD11 LEU 103 1HD1 LEU 103 12.473 13.867 -9.448 899 HD12 LEU 103 2HD1 LEU 103 12.580 12.105 -9.432 900 HD13 LEU 103 3HD1 LEU 103 12.900 13.025 -7.961 901 HD21 LEU 103 3HD2 LEU 103 8.870 13.040 -9.402 902 HD22 LEU 103 1HD2 LEU 103 10.069 12.177 -10.368 903 HD23 LEU 103 2HD2 LEU 103 10.138 13.938 -10.231 904 H GLU 104 H GLU 104 12.843 13.131 -5.748 905 HA GLU 104 HA GLU 104 15.039 11.448 -6.431 906 HB2 GLU 104 2HB GLU 104 16.491 13.256 -5.771 907 HB3 GLU 104 3HB GLU 104 15.108 13.967 -6.581 908 HG2 GLU 104 2HG GLU 104 15.690 13.963 -3.613 909 HG3 GLU 104 3HG GLU 104 15.780 15.341 -4.701 910 H HIS 105 H HIS 105 16.527 10.426 -5.034 911 HA HIS 105 HA HIS 105 15.051 8.864 -3.179 912 HB2 HIS 105 2HB HIS 105 18.018 8.753 -3.855 913 HB3 HIS 105 3HB HIS 105 17.134 7.517 -2.964 914 HD1 HIS 105 HD1 HIS 105 14.886 8.494 -5.556 915 HD2 HIS 105 HD2 HIS 105 18.338 6.171 -5.404 916 HE1 HIS 105 HE1 HIS 105 14.833 7.062 -7.613 917 HE2 HIS 105 HE2 HIS 105 16.949 5.707 -7.526 918 H HIS 106 H HIS 106 18.243 10.400 -2.546 919 HA HIS 106 HA HIS 106 19.348 10.769 -0.610 920 HB2 HIS 106 2HB HIS 106 18.458 12.665 0.748 921 HB3 HIS 106 3HB HIS 106 18.439 12.968 -0.981 922 HD1 HIS 106 HD1 HIS 106 16.054 12.179 1.867 923 HD2 HIS 106 HD2 HIS 106 15.982 13.665 -2.005 924 HE1 HIS 106 HE1 HIS 106 13.723 13.050 1.520 925 HE2 HIS 106 HE2 HIS 106 13.662 13.716 -0.915 926 H HIS 107 H HIS 107 17.737 8.386 -0.483 927 HA HIS 107 HA HIS 107 18.056 7.819 2.341 928 HB2 HIS 107 2HB HIS 107 15.849 6.765 2.651 929 HB3 HIS 107 3HB HIS 107 15.624 8.451 2.216 930 HD1 HIS 107 HD1 HIS 107 14.184 8.934 0.176 931 HD2 HIS 107 HD2 HIS 107 15.052 4.888 0.582 932 HE1 HIS 107 HE1 HIS 107 12.733 7.753 -1.495 933 HE2 HIS 107 HE2 HIS 107 13.431 5.348 -1.368 934 H HIS 108 H HIS 108 18.901 5.765 2.568 935 HA HIS 108 HA HIS 108 19.502 4.316 0.066 936 HB2 HIS 108 2HB HIS 108 20.668 4.053 2.875 937 HB3 HIS 108 3HB HIS 108 21.172 3.082 1.497 938 HD1 HIS 108 HD1 HIS 108 22.400 5.722 3.347 939 HD2 HIS 108 HD2 HIS 108 21.945 5.146 -0.740 940 HE1 HIS 108 HE1 HIS 108 24.082 7.236 2.264 941 HE2 HIS 108 HE2 HIS 108 23.887 6.756 -0.196 942 H HIS 109 H HIS 109 17.272 4.057 2.648 943 HA HIS 109 HA HIS 109 16.182 2.461 3.800 944 HB2 HIS 109 2HB HIS 109 15.430 1.323 1.824 945 HB3 HIS 109 3HB HIS 109 17.026 0.680 1.476 946 HD1 HIS 109 HD1 HIS 109 14.065 0.129 3.790 947 HD2 HIS 109 HD2 HIS 109 17.542 -1.796 2.578 948 HE1 HIS 109 HE1 HIS 109 13.905 -2.209 4.696 949 HE2 HIS 109 HE2 HIS 109 16.099 -3.267 4.116 950 H HIS 110 H HIS 110 17.441 2.743 5.583 951 HA HIS 110 HA HIS 110 19.598 0.777 6.097 952 HB2 HIS 110 2HB HIS 110 20.629 2.982 5.533 953 HB3 HIS 110 3HB HIS 110 19.703 3.753 6.816 954 HD1 HIS 110 HD1 HIS 110 20.336 3.019 9.302 955 HD2 HIS 110 HD2 HIS 110 23.007 1.793 6.361 956 HE1 HIS 110 HE1 HIS 110 22.430 2.359 10.525 957 HE2 HIS 110 HE2 HIS 110 23.988 1.523 8.735 Start of MODEL 12 1 H1 MET 1 1H MET 1 3.600 12.331 -16.260 2 H2 MET 1 2H MET 1 4.967 12.830 -17.107 3 H3 MET 1 3H MET 1 3.470 12.783 -17.885 4 HA MET 1 HA MET 1 4.094 15.028 -17.351 5 HB2 MET 1 2HB MET 1 1.682 14.349 -17.362 6 HB3 MET 1 3HB MET 1 1.775 14.017 -15.641 7 HG2 MET 1 2HG MET 1 2.242 16.412 -15.222 8 HG3 MET 1 3HG MET 1 2.105 16.728 -16.952 9 HE1 MET 1 3HE MET 1 -1.708 15.869 -17.580 10 HE2 MET 1 1HE MET 1 -0.379 14.717 -17.692 11 HE3 MET 1 2HE MET 1 -0.187 16.351 -18.331 12 H GLY 2 H GLY 2 3.088 13.642 -14.205 13 HA2 GLY 2 2HA GLY 2 5.483 13.868 -12.790 14 HA3 GLY 2 3HA GLY 2 4.661 15.422 -12.647 15 H SER 3 H SER 3 3.319 12.126 -12.793 16 HA SER 3 HA SER 3 1.554 12.649 -10.547 17 HB2 SER 3 2HB SER 3 1.918 10.161 -12.274 18 HB3 SER 3 3HB SER 3 0.624 10.401 -11.095 19 HG SER 3 HG SER 3 -0.064 12.197 -12.331 20 H LYS 4 H LYS 4 1.309 10.913 -8.836 21 HA LYS 4 HA LYS 4 3.626 9.244 -8.275 22 HB2 LYS 4 2HB LYS 4 4.322 11.268 -7.121 23 HB3 LYS 4 3HB LYS 4 2.735 11.489 -6.397 24 HG2 LYS 4 2HG LYS 4 3.075 9.637 -4.878 25 HG3 LYS 4 3HG LYS 4 4.526 9.120 -5.743 26 HD2 LYS 4 2HD LYS 4 5.159 10.250 -3.669 27 HD3 LYS 4 3HD LYS 4 5.675 11.203 -5.054 28 HE2 LYS 4 2HE LYS 4 4.794 12.729 -3.436 29 HE3 LYS 4 3HE LYS 4 3.602 12.629 -4.731 30 HZ1 LYS 4 3HZ LYS 4 3.480 11.295 -2.087 31 HZ2 LYS 4 1HZ LYS 4 2.386 11.011 -3.342 32 HZ3 LYS 4 2HZ LYS 4 2.495 12.551 -2.651 33 H ILE 5 H ILE 5 2.853 7.330 -7.677 34 HA ILE 5 HA ILE 5 0.241 7.089 -6.314 35 HB ILE 5 HB ILE 5 0.368 4.659 -6.785 36 HG12 ILE 5 2HG1 ILE 5 2.935 5.257 -8.347 37 HG13 ILE 5 3HG1 ILE 5 2.870 4.434 -6.794 38 HG21 ILE 5 1HG2 ILE 5 -0.778 6.103 -8.401 39 HG22 ILE 5 2HG2 ILE 5 -0.023 4.733 -9.216 40 HG23 ILE 5 3HG2 ILE 5 0.728 6.329 -9.296 41 HD11 ILE 5 3HD1 ILE 5 1.596 2.606 -7.830 42 HD12 ILE 5 1HD1 ILE 5 3.176 2.851 -8.576 43 HD13 ILE 5 2HD1 ILE 5 1.720 3.421 -9.392 44 H ILE 6 H ILE 6 0.157 5.648 -4.475 45 HA ILE 6 HA ILE 6 2.702 5.450 -2.963 46 HB ILE 6 HB ILE 6 -0.093 5.793 -1.768 47 HG12 ILE 6 2HG1 ILE 6 0.633 7.919 -2.799 48 HG13 ILE 6 3HG1 ILE 6 0.614 8.062 -1.052 49 HG21 ILE 6 1HG2 ILE 6 2.623 5.737 -0.401 50 HG22 ILE 6 2HG2 ILE 6 1.393 4.472 -0.331 51 HG23 ILE 6 3HG2 ILE 6 1.076 6.048 0.394 52 HD11 ILE 6 3HD1 ILE 6 2.495 9.208 -2.013 53 HD12 ILE 6 1HD1 ILE 6 3.047 7.727 -2.793 54 HD13 ILE 6 2HD1 ILE 6 3.057 7.856 -1.031 55 H VAL 7 H VAL 7 3.162 3.503 -2.182 56 HA VAL 7 HA VAL 7 1.242 1.267 -2.507 57 HB VAL 7 HB VAL 7 4.301 1.111 -2.630 58 HG11 VAL 7 1HG1 VAL 7 2.229 -1.116 -2.820 59 HG12 VAL 7 2HG1 VAL 7 3.391 -0.875 -1.511 60 HG13 VAL 7 3HG1 VAL 7 3.956 -1.307 -3.124 61 HG21 VAL 7 3HG2 VAL 7 3.967 0.390 -4.979 62 HG22 VAL 7 1HG2 VAL 7 3.317 2.010 -4.712 63 HG23 VAL 7 2HG2 VAL 7 2.225 0.627 -4.811 64 H ILE 8 H ILE 8 0.494 0.628 -0.622 65 HA ILE 8 HA ILE 8 2.024 1.201 1.849 66 HB ILE 8 HB ILE 8 -1.004 1.202 1.434 67 HG12 ILE 8 2HG1 ILE 8 0.957 3.372 2.310 68 HG13 ILE 8 3HG1 ILE 8 0.181 3.267 0.737 69 HG21 ILE 8 1HG2 ILE 8 -1.219 1.683 3.861 70 HG22 ILE 8 2HG2 ILE 8 0.518 1.446 4.063 71 HG23 ILE 8 3HG2 ILE 8 -0.506 0.091 3.583 72 HD11 ILE 8 3HD1 ILE 8 -0.822 4.969 2.110 73 HD12 ILE 8 1HD1 ILE 8 -1.205 3.787 3.361 74 HD13 ILE 8 2HD1 ILE 8 -1.979 3.683 1.777 75 H ILE 9 H ILE 9 2.524 -0.439 2.963 76 HA ILE 9 HA ILE 9 1.785 -3.163 2.147 77 HB ILE 9 HB ILE 9 4.222 -2.214 3.749 78 HG12 ILE 9 2HG1 ILE 9 5.535 -3.228 1.796 79 HG13 ILE 9 3HG1 ILE 9 4.022 -3.362 0.922 80 HG21 ILE 9 1HG2 ILE 9 3.449 -5.057 2.978 81 HG22 ILE 9 2HG2 ILE 9 3.458 -4.386 4.611 82 HG23 ILE 9 3HG2 ILE 9 4.975 -4.586 3.733 83 HD11 ILE 9 3HD1 ILE 9 3.818 -0.916 0.925 84 HD12 ILE 9 1HD1 ILE 9 5.329 -1.453 0.191 85 HD13 ILE 9 2HD1 ILE 9 5.330 -0.796 1.827 86 H SER 10 H SER 10 -0.044 -3.581 3.322 87 HA SER 10 HA SER 10 -0.443 -2.359 5.941 88 HB2 SER 10 2HB SER 10 -2.361 -2.481 4.359 89 HB3 SER 10 3HB SER 10 -2.236 -4.240 4.330 90 HG SER 10 HG SER 10 -3.629 -4.065 5.908 91 H SER 11 H SER 11 0.882 -3.306 7.391 92 HA SER 11 HA SER 11 1.339 -6.202 7.348 93 HB2 SER 11 2HB SER 11 3.305 -4.674 7.233 94 HB3 SER 11 3HB SER 11 2.855 -3.979 8.789 95 HG SER 11 HG SER 11 3.280 -5.942 9.765 96 H ASP 12 H ASP 12 -0.689 -6.713 8.287 97 HA ASP 12 HA ASP 12 -1.717 -7.832 9.950 98 HB2 ASP 12 2HB ASP 12 0.521 -8.199 10.965 99 HB3 ASP 12 3HB ASP 12 0.376 -6.679 11.834 100 H ASP 13 H ASP 13 -0.779 -4.645 11.255 101 HA ASP 13 HA ASP 13 -3.152 -4.276 12.792 102 HB2 ASP 13 2HB ASP 13 -0.778 -3.299 13.219 103 HB3 ASP 13 3HB ASP 13 -1.186 -2.073 12.023 104 H THR 14 H THR 14 -4.709 -2.536 12.545 105 HA THR 14 HA THR 14 -5.740 -2.516 9.834 106 HB THR 14 HB THR 14 -7.115 -1.363 12.297 107 HG1 THR 14 HG1 THR 14 -6.622 -4.000 11.555 108 HG21 THR 14 3HG2 THR 14 -9.199 -1.945 11.065 109 HG22 THR 14 1HG2 THR 14 -8.233 -2.487 9.691 110 HG23 THR 14 2HG2 THR 14 -8.218 -0.785 10.163 111 H THR 15 H THR 15 -4.223 -0.184 11.967 112 HA THR 15 HA THR 15 -5.178 2.241 11.170 113 HB THR 15 HB THR 15 -2.264 1.572 11.752 114 HG1 THR 15 HG1 THR 15 -2.979 1.277 13.703 115 HG21 THR 15 3HG2 THR 15 -2.438 3.830 10.790 116 HG22 THR 15 1HG2 THR 15 -2.090 3.934 12.515 117 HG23 THR 15 2HG2 THR 15 -3.727 4.237 11.925 118 H LEU 16 H LEU 16 -2.823 0.265 9.401 119 HA LEU 16 HA LEU 16 -2.096 2.288 7.493 120 HB2 LEU 16 2HB LEU 16 -1.672 -0.728 7.304 121 HB3 LEU 16 3HB LEU 16 -0.964 0.472 6.232 122 HG LEU 16 HG LEU 16 0.139 1.462 8.403 123 HD11 LEU 16 1HD1 LEU 16 -1.147 0.188 10.045 124 HD12 LEU 16 2HD1 LEU 16 0.579 -0.124 10.209 125 HD13 LEU 16 3HD1 LEU 16 -0.465 -1.324 9.435 126 HD21 LEU 16 3HD2 LEU 16 1.115 -1.192 7.309 127 HD22 LEU 16 1HD2 LEU 16 2.090 0.001 8.177 128 HD23 LEU 16 2HD2 LEU 16 1.408 0.397 6.600 129 H GLU 17 H GLU 17 -4.546 -0.204 7.638 130 HA GLU 17 HA GLU 17 -5.505 -0.106 4.946 131 HB2 GLU 17 2HB GLU 17 -7.017 -0.844 7.500 132 HB3 GLU 17 3HB GLU 17 -7.501 -1.263 5.856 133 HG2 GLU 17 2HG GLU 17 -5.654 -2.785 5.615 134 HG3 GLU 17 3HG GLU 17 -4.904 -2.201 7.099 135 H GLU 18 H GLU 18 -6.303 1.615 7.937 136 HA GLU 18 HA GLU 18 -8.623 2.980 7.014 137 HB2 GLU 18 2HB GLU 18 -6.777 3.493 9.385 138 HB3 GLU 18 3HB GLU 18 -8.284 4.366 9.117 139 HG2 GLU 18 2HG GLU 18 -8.040 1.370 9.539 140 HG3 GLU 18 3HG GLU 18 -8.521 2.537 10.769 141 H LEU 19 H LEU 19 -5.236 3.991 7.471 142 HA LEU 19 HA LEU 19 -5.561 6.702 6.717 143 HB2 LEU 19 2HB LEU 19 -3.049 4.970 6.738 144 HB3 LEU 19 3HB LEU 19 -3.053 6.721 6.561 145 HG LEU 19 HG LEU 19 -3.995 5.190 9.020 146 HD11 LEU 19 1HD1 LEU 19 -1.478 6.828 8.611 147 HD12 LEU 19 2HD1 LEU 19 -1.583 5.073 8.788 148 HD13 LEU 19 3HD1 LEU 19 -2.013 6.116 10.138 149 HD21 LEU 19 3HD2 LEU 19 -4.163 7.379 10.130 150 HD22 LEU 19 1HD2 LEU 19 -5.282 7.244 8.775 151 HD23 LEU 19 2HD2 LEU 19 -3.802 8.189 8.604 152 H ALA 20 H ALA 20 -4.737 3.779 4.922 153 HA ALA 20 HA ALA 20 -3.639 4.699 2.577 154 HB1 ALA 20 3HB ALA 20 -3.803 2.320 3.197 155 HB2 ALA 20 1HB ALA 20 -4.401 2.587 1.559 156 HB3 ALA 20 2HB ALA 20 -5.541 2.353 2.889 157 H ARG 21 H ARG 21 -7.038 4.643 3.445 158 HA ARG 21 HA ARG 21 -8.087 5.143 0.829 159 HB2 ARG 21 2HB ARG 21 -9.184 3.997 2.921 160 HB3 ARG 21 3HB ARG 21 -9.599 5.633 3.416 161 HG2 ARG 21 2HG ARG 21 -10.970 5.949 1.442 162 HG3 ARG 21 3HG ARG 21 -10.405 4.424 0.750 163 HD2 ARG 21 2HD ARG 21 -11.484 3.184 2.598 164 HD3 ARG 21 3HD ARG 21 -12.043 4.707 3.293 165 HE ARG 21 HE ARG 21 -13.126 4.825 0.840 166 HH11 ARG 21 1HH1 ARG 21 -13.113 2.190 3.188 167 HH12 ARG 21 2HH1 ARG 21 -14.643 1.562 2.663 168 HH21 ARG 21 1HH2 ARG 21 -15.150 3.995 0.198 169 HH22 ARG 21 2HH2 ARG 21 -15.791 2.582 0.976 170 H LYS 22 H LYS 22 -7.099 7.159 3.532 171 HA LYS 22 HA LYS 22 -8.228 9.640 2.711 172 HB2 LYS 22 2HB LYS 22 -5.866 8.973 4.517 173 HB3 LYS 22 3HB LYS 22 -6.281 10.637 4.140 174 HG2 LYS 22 2HG LYS 22 -7.179 10.050 6.305 175 HG3 LYS 22 3HG LYS 22 -8.507 10.323 5.175 176 HD2 LYS 22 2HD LYS 22 -8.790 7.873 4.921 177 HD3 LYS 22 3HD LYS 22 -7.447 7.599 6.035 178 HE2 LYS 22 2HE LYS 22 -8.723 8.638 7.858 179 HE3 LYS 22 3HE LYS 22 -10.049 9.000 6.747 180 HZ1 LYS 22 3HZ LYS 22 -10.427 6.997 8.090 181 HZ2 LYS 22 1HZ LYS 22 -9.085 6.263 7.376 182 HZ3 LYS 22 2HZ LYS 22 -10.428 6.667 6.437 183 H ILE 23 H ILE 23 -5.090 8.062 2.092 184 HA ILE 23 HA ILE 23 -3.735 10.139 0.848 185 HB ILE 23 HB ILE 23 -3.451 7.130 0.642 186 HG12 ILE 23 2HG1 ILE 23 -1.104 7.733 1.572 187 HG13 ILE 23 3HG1 ILE 23 -1.732 9.356 1.817 188 HG21 ILE 23 1HG2 ILE 23 -2.851 7.882 -1.605 189 HG22 ILE 23 2HG2 ILE 23 -1.414 7.352 -0.734 190 HG23 ILE 23 3HG2 ILE 23 -1.739 9.075 -0.934 191 HD11 ILE 23 3HD1 ILE 23 -1.754 8.065 3.852 192 HD12 ILE 23 1HD1 ILE 23 -2.754 6.827 3.090 193 HD13 ILE 23 2HD1 ILE 23 -3.403 8.447 3.356 194 H LYS 24 H LYS 24 -5.764 7.609 -0.776 195 HA LYS 24 HA LYS 24 -5.140 8.550 -3.385 196 HB2 LYS 24 2HB LYS 24 -6.862 7.046 -4.252 197 HB3 LYS 24 3HB LYS 24 -5.771 6.253 -3.134 198 HG2 LYS 24 2HG LYS 24 -7.423 6.052 -1.455 199 HG3 LYS 24 3HG LYS 24 -8.482 7.239 -2.230 200 HD2 LYS 24 2HD LYS 24 -9.251 4.859 -2.523 201 HD3 LYS 24 3HD LYS 24 -8.995 5.715 -4.043 202 HE2 LYS 24 2HE LYS 24 -6.792 4.594 -4.285 203 HE3 LYS 24 3HE LYS 24 -7.075 3.729 -2.774 204 HZ1 LYS 24 3HZ LYS 24 -8.795 3.522 -5.184 205 HZ2 LYS 24 1HZ LYS 24 -8.942 2.622 -3.764 206 HZ3 LYS 24 2HZ LYS 24 -7.593 2.412 -4.765 207 H ASP 25 H ASP 25 -7.452 9.692 -1.112 208 HA ASP 25 HA ASP 25 -9.379 10.913 -2.763 209 HB2 ASP 25 2HB ASP 25 -9.573 10.699 -0.285 210 HB3 ASP 25 3HB ASP 25 -8.313 11.908 -0.080 211 H GLU 26 H GLU 26 -6.060 11.756 -2.154 212 HA GLU 26 HA GLU 26 -6.115 14.483 -3.049 213 HB2 GLU 26 2HB GLU 26 -3.790 12.533 -2.808 214 HB3 GLU 26 3HB GLU 26 -3.640 14.269 -3.037 215 HG2 GLU 26 2HG GLU 26 -4.815 12.880 -0.608 216 HG3 GLU 26 3HG GLU 26 -3.226 13.636 -0.706 217 H GLY 27 H GLY 27 -6.573 11.658 -4.786 218 HA2 GLY 27 2HA GLY 27 -7.318 11.789 -7.024 219 HA3 GLY 27 3HA GLY 27 -6.230 13.135 -7.315 220 H LEU 28 H LEU 28 -5.241 10.123 -5.752 221 HA LEU 28 HA LEU 28 -3.898 9.196 -8.240 222 HB2 LEU 28 2HB LEU 28 -2.012 8.360 -6.914 223 HB3 LEU 28 3HB LEU 28 -2.161 10.102 -6.758 224 HG LEU 28 HG LEU 28 -3.467 8.400 -4.624 225 HD11 LEU 28 1HD1 LEU 28 -0.486 8.911 -4.687 226 HD12 LEU 28 2HD1 LEU 28 -1.282 7.344 -4.828 227 HD13 LEU 28 3HD1 LEU 28 -1.400 8.256 -3.327 228 HD21 LEU 28 3HD2 LEU 28 -2.902 10.267 -3.186 229 HD22 LEU 28 1HD2 LEU 28 -3.721 10.862 -4.631 230 HD23 LEU 28 2HD2 LEU 28 -1.966 11.032 -4.475 231 H GLU 29 H GLU 29 -3.264 6.801 -8.054 232 HA GLU 29 HA GLU 29 -5.286 5.217 -6.628 233 HB2 GLU 29 2HB GLU 29 -4.808 4.785 -9.054 234 HB3 GLU 29 3HB GLU 29 -3.157 4.353 -8.639 235 HG2 GLU 29 2HG GLU 29 -4.584 2.366 -9.025 236 HG3 GLU 29 3HG GLU 29 -3.929 2.411 -7.385 237 H VAL 30 H VAL 30 -4.710 3.609 -5.126 238 HA VAL 30 HA VAL 30 -1.932 3.629 -4.078 239 HB VAL 30 HB VAL 30 -4.508 3.292 -2.456 240 HG11 VAL 30 1HG1 VAL 30 -3.041 3.214 -0.452 241 HG12 VAL 30 2HG1 VAL 30 -1.616 3.229 -1.495 242 HG13 VAL 30 3HG1 VAL 30 -2.725 1.857 -1.537 243 HG21 VAL 30 3HG2 VAL 30 -4.075 5.627 -3.106 244 HG22 VAL 30 1HG2 VAL 30 -2.449 5.526 -2.430 245 HG23 VAL 30 2HG2 VAL 30 -3.855 5.411 -1.368 246 H TYR 31 H TYR 31 -0.974 1.728 -3.921 247 HA TYR 31 HA TYR 31 -2.433 -0.762 -4.615 248 HB2 TYR 31 2HB TYR 31 0.482 0.049 -5.038 249 HB3 TYR 31 3HB TYR 31 -0.114 -1.589 -5.291 250 HD1 TYR 31 HD2 TYR 31 -0.334 1.919 -6.558 251 HD2 TYR 31 HD1 TYR 31 -1.308 -2.179 -7.307 252 HE1 TYR 31 HE2 TYR 31 -0.960 2.489 -8.866 253 HE2 TYR 31 HE1 TYR 31 -1.932 -1.603 -9.612 254 HH TYR 31 HH TYR 31 -2.656 0.344 -10.892 255 H ILE 32 H ILE 32 -2.772 -1.983 -2.821 256 HA ILE 32 HA ILE 32 -1.046 -1.650 -0.476 257 HB ILE 32 HB ILE 32 -3.534 -3.391 -0.738 258 HG12 ILE 32 2HG1 ILE 32 -4.147 -1.012 -1.123 259 HG13 ILE 32 3HG1 ILE 32 -4.805 -1.602 0.396 260 HG21 ILE 32 1HG2 ILE 32 -3.543 -3.349 1.740 261 HG22 ILE 32 2HG2 ILE 32 -2.043 -2.425 1.733 262 HG23 ILE 32 3HG2 ILE 32 -2.066 -4.075 1.105 263 HD11 ILE 32 3HD1 ILE 32 -3.980 0.666 0.580 264 HD12 ILE 32 1HD1 ILE 32 -2.368 0.145 0.096 265 HD13 ILE 32 2HD1 ILE 32 -3.061 -0.421 1.620 266 H LEU 33 H LEU 33 0.588 -3.079 -0.044 267 HA LEU 33 HA LEU 33 0.485 -5.807 -1.180 268 HB2 LEU 33 2HB LEU 33 2.771 -4.313 0.168 269 HB3 LEU 33 3HB LEU 33 2.864 -5.967 -0.424 270 HG LEU 33 HG LEU 33 2.474 -3.460 -2.097 271 HD11 LEU 33 1HD1 LEU 33 4.621 -4.048 -3.108 272 HD12 LEU 33 2HD1 LEU 33 4.774 -5.431 -2.022 273 HD13 LEU 33 3HD1 LEU 33 4.778 -3.791 -1.370 274 HD21 LEU 33 3HD2 LEU 33 2.470 -4.944 -4.058 275 HD22 LEU 33 1HD2 LEU 33 1.089 -5.244 -3.014 276 HD23 LEU 33 2HD2 LEU 33 2.457 -6.356 -3.006 277 H LEU 34 H LEU 34 -0.588 -7.142 0.076 278 HA LEU 34 HA LEU 34 -1.045 -6.499 2.850 279 HB2 LEU 34 2HB LEU 34 -2.585 -7.731 0.931 280 HB3 LEU 34 3HB LEU 34 -2.009 -9.129 1.806 281 HG LEU 34 HG LEU 34 -4.173 -8.471 2.688 282 HD11 LEU 34 1HD1 LEU 34 -2.507 -9.313 4.340 283 HD12 LEU 34 2HD1 LEU 34 -3.730 -8.271 5.043 284 HD13 LEU 34 3HD1 LEU 34 -2.105 -7.644 4.753 285 HD21 LEU 34 3HD2 LEU 34 -4.601 -6.265 3.678 286 HD22 LEU 34 1HD2 LEU 34 -4.174 -6.128 1.974 287 HD23 LEU 34 2HD2 LEU 34 -2.987 -5.724 3.217 288 H LYS 35 H LYS 35 0.054 -7.228 4.487 289 HA LYS 35 HA LYS 35 1.539 -9.777 4.431 290 HB2 LYS 35 2HB LYS 35 3.147 -7.864 4.202 291 HB3 LYS 35 3HB LYS 35 2.487 -7.134 5.664 292 HG2 LYS 35 2HG LYS 35 3.200 -9.257 6.894 293 HG3 LYS 35 3HG LYS 35 4.060 -9.723 5.429 294 HD2 LYS 35 2HD LYS 35 4.572 -7.240 7.115 295 HD3 LYS 35 3HD LYS 35 5.599 -8.672 7.028 296 HE2 LYS 35 2HE LYS 35 5.954 -8.181 4.581 297 HE3 LYS 35 3HE LYS 35 5.062 -6.673 4.804 298 HZ1 LYS 35 3HZ LYS 35 6.724 -6.005 6.452 299 HZ2 LYS 35 1HZ LYS 35 7.428 -6.289 4.945 300 HZ3 LYS 35 2HZ LYS 35 7.583 -7.435 6.178 301 H ASP 36 H ASP 36 0.651 -11.022 6.015 302 HA ASP 36 HA ASP 36 -0.401 -9.748 8.490 303 HB2 ASP 36 2HB ASP 36 -2.183 -10.436 6.671 304 HB3 ASP 36 3HB ASP 36 -1.819 -12.089 7.142 305 H LYS 37 H LYS 37 -0.688 -11.491 10.245 306 HA LYS 37 HA LYS 37 1.671 -13.108 10.467 307 HB2 LYS 37 2HB LYS 37 0.172 -12.014 12.356 308 HB3 LYS 37 3HB LYS 37 -0.763 -13.495 12.252 309 HG2 LYS 37 2HG LYS 37 2.229 -13.487 12.773 310 HG3 LYS 37 3HG LYS 37 1.058 -13.333 14.072 311 HD2 LYS 37 2HD LYS 37 0.988 -15.709 12.184 312 HD3 LYS 37 3HD LYS 37 2.084 -15.675 13.563 313 HE2 LYS 37 2HE LYS 37 0.087 -16.889 14.180 314 HE3 LYS 37 3HE LYS 37 0.120 -15.375 15.077 315 HZ1 LYS 37 3HZ LYS 37 -1.487 -14.471 13.498 316 HZ2 LYS 37 1HZ LYS 37 -2.082 -15.869 14.238 317 HZ3 LYS 37 2HZ LYS 37 -1.503 -15.935 12.654 318 H ASP 38 H ASP 38 -1.713 -13.694 9.669 319 HA ASP 38 HA ASP 38 -1.112 -16.480 8.827 320 HB2 ASP 38 2HB ASP 38 -3.845 -15.191 9.297 321 HB3 ASP 38 3HB ASP 38 -3.533 -16.887 8.934 322 H GLU 39 H GLU 39 -0.848 -16.699 6.594 323 HA GLU 39 HA GLU 39 -1.584 -14.715 4.720 324 HB2 GLU 39 2HB GLU 39 -0.995 -16.312 2.976 325 HB3 GLU 39 3HB GLU 39 0.204 -16.356 4.265 326 HG2 GLU 39 2HG GLU 39 -0.802 -18.425 5.151 327 HG3 GLU 39 3HG GLU 39 -2.032 -18.374 3.887 328 H LYS 40 H LYS 40 -3.360 -17.281 6.165 329 HA LYS 40 HA LYS 40 -5.676 -17.530 4.657 330 HB2 LYS 40 2HB LYS 40 -5.169 -18.790 6.748 331 HB3 LYS 40 3HB LYS 40 -5.318 -17.315 7.690 332 HG2 LYS 40 2HG LYS 40 -7.313 -18.623 8.010 333 HG3 LYS 40 3HG LYS 40 -7.735 -17.201 7.050 334 HD2 LYS 40 2HD LYS 40 -7.709 -18.551 4.995 335 HD3 LYS 40 3HD LYS 40 -7.229 -19.984 5.915 336 HE2 LYS 40 2HE LYS 40 -9.642 -19.996 5.409 337 HE3 LYS 40 3HE LYS 40 -9.364 -19.914 7.148 338 HZ1 LYS 40 3HZ LYS 40 -9.812 -17.545 7.081 339 HZ2 LYS 40 1HZ LYS 40 -11.112 -18.396 6.416 340 HZ3 LYS 40 2HZ LYS 40 -10.021 -17.593 5.408 341 H ARG 41 H ARG 41 -5.021 -15.198 7.269 342 HA ARG 41 HA ARG 41 -7.381 -13.626 6.856 343 HB2 ARG 41 2HB ARG 41 -4.909 -13.282 8.602 344 HB3 ARG 41 3HB ARG 41 -6.277 -12.170 8.638 345 HG2 ARG 41 2HG ARG 41 -6.492 -15.142 9.220 346 HG3 ARG 41 3HG ARG 41 -6.308 -13.895 10.457 347 HD2 ARG 41 2HD ARG 41 -8.430 -12.899 9.870 348 HD3 ARG 41 3HD ARG 41 -8.590 -13.937 8.452 349 HE ARG 41 HE ARG 41 -8.508 -15.774 10.360 350 HH11 ARG 41 1HH1 ARG 41 -10.357 -12.771 10.257 351 HH12 ARG 41 2HH1 ARG 41 -11.648 -13.401 11.234 352 HH21 ARG 41 1HH2 ARG 41 -10.204 -16.572 11.612 353 HH22 ARG 41 2HH2 ARG 41 -11.558 -15.555 11.999 354 H LEU 42 H LEU 42 -4.086 -13.485 5.769 355 HA LEU 42 HA LEU 42 -3.865 -10.861 4.856 356 HB2 LEU 42 2HB LEU 42 -2.054 -12.559 5.079 357 HB3 LEU 42 3HB LEU 42 -2.696 -13.433 3.711 358 HG LEU 42 HG LEU 42 -1.620 -10.595 3.431 359 HD11 LEU 42 1HD1 LEU 42 0.536 -11.556 2.728 360 HD12 LEU 42 2HD1 LEU 42 -0.037 -13.174 3.149 361 HD13 LEU 42 3HD1 LEU 42 0.170 -11.954 4.408 362 HD21 LEU 42 3HD2 LEU 42 -1.256 -11.230 1.080 363 HD22 LEU 42 1HD2 LEU 42 -2.954 -11.379 1.533 364 HD23 LEU 42 2HD2 LEU 42 -1.951 -12.824 1.398 365 H GLU 43 H GLU 43 -4.929 -13.824 3.125 366 HA GLU 43 HA GLU 43 -5.539 -12.657 0.652 367 HB2 GLU 43 2HB GLU 43 -5.206 -15.096 1.027 368 HB3 GLU 43 3HB GLU 43 -6.713 -15.163 1.938 369 HG2 GLU 43 2HG GLU 43 -7.948 -14.472 -0.119 370 HG3 GLU 43 3HG GLU 43 -6.429 -14.502 -1.011 371 H GLU 44 H GLU 44 -7.529 -13.221 3.521 372 HA GLU 44 HA GLU 44 -10.053 -12.463 2.472 373 HB2 GLU 44 2HB GLU 44 -9.038 -12.439 5.353 374 HB3 GLU 44 3HB GLU 44 -10.733 -12.322 4.871 375 HG2 GLU 44 2HG GLU 44 -10.595 -14.576 3.855 376 HG3 GLU 44 3HG GLU 44 -8.905 -14.681 4.342 377 H LYS 45 H LYS 45 -7.479 -10.682 4.128 378 HA LYS 45 HA LYS 45 -8.859 -8.192 4.358 379 HB2 LYS 45 2HB LYS 45 -6.998 -8.983 5.840 380 HB3 LYS 45 3HB LYS 45 -5.869 -8.751 4.512 381 HG2 LYS 45 2HG LYS 45 -6.256 -6.348 4.538 382 HG3 LYS 45 3HG LYS 45 -7.534 -6.524 5.746 383 HD2 LYS 45 2HD LYS 45 -4.606 -7.235 6.187 384 HD3 LYS 45 3HD LYS 45 -5.375 -5.750 6.732 385 HE2 LYS 45 2HE LYS 45 -6.904 -7.082 8.161 386 HE3 LYS 45 3HE LYS 45 -6.105 -8.563 7.621 387 HZ1 LYS 45 3HZ LYS 45 -4.072 -7.834 8.642 388 HZ2 LYS 45 1HZ LYS 45 -5.313 -7.772 9.783 389 HZ3 LYS 45 2HZ LYS 45 -4.760 -6.341 9.069 390 H ILE 46 H ILE 46 -6.801 -9.647 1.906 391 HA ILE 46 HA ILE 46 -6.383 -7.470 0.176 392 HB ILE 46 HB ILE 46 -6.792 -10.432 -0.472 393 HG12 ILE 46 2HG1 ILE 46 -4.278 -8.715 -0.300 394 HG13 ILE 46 3HG1 ILE 46 -4.734 -10.021 0.780 395 HG21 ILE 46 1HG2 ILE 46 -5.942 -10.037 -2.742 396 HG22 ILE 46 2HG2 ILE 46 -5.865 -8.305 -2.427 397 HG23 ILE 46 3HG2 ILE 46 -7.426 -9.120 -2.467 398 HD11 ILE 46 3HD1 ILE 46 -2.960 -10.712 -0.687 399 HD12 ILE 46 1HD1 ILE 46 -3.913 -10.296 -2.112 400 HD13 ILE 46 2HD1 ILE 46 -4.421 -11.623 -1.064 401 H GLN 47 H GLN 47 -9.152 -9.693 0.551 402 HA GLN 47 HA GLN 47 -10.711 -8.684 -1.615 403 HB2 GLN 47 2HB GLN 47 -11.847 -10.081 0.841 404 HB3 GLN 47 3HB GLN 47 -12.536 -10.024 -0.777 405 HG2 GLN 47 2HG GLN 47 -10.114 -11.582 0.148 406 HG3 GLN 47 3HG GLN 47 -11.664 -12.224 -0.381 407 HE21 GLN 47 1HE2 GLN 47 -8.595 -10.983 -1.370 408 HE22 GLN 47 2HE2 GLN 47 -8.759 -11.314 -3.056 409 H LYS 48 H LYS 48 -10.601 -7.984 1.868 410 HA LYS 48 HA LYS 48 -12.784 -6.271 2.168 411 HB2 LYS 48 2HB LYS 48 -10.068 -6.054 3.538 412 HB3 LYS 48 3HB LYS 48 -11.542 -5.269 4.093 413 HG2 LYS 48 2HG LYS 48 -11.085 -8.263 3.956 414 HG3 LYS 48 3HG LYS 48 -10.948 -7.271 5.408 415 HD2 LYS 48 2HD LYS 48 -13.377 -6.688 5.189 416 HD3 LYS 48 3HD LYS 48 -13.484 -7.770 3.794 417 HE2 LYS 48 2HE LYS 48 -12.830 -9.678 5.233 418 HE3 LYS 48 3HE LYS 48 -12.725 -8.595 6.622 419 HZ1 LYS 48 3HZ LYS 48 -15.093 -8.128 6.367 420 HZ2 LYS 48 1HZ LYS 48 -14.812 -9.777 6.606 421 HZ3 LYS 48 2HZ LYS 48 -15.181 -9.196 5.063 422 H LEU 49 H LEU 49 -9.402 -5.418 1.436 423 HA LEU 49 HA LEU 49 -9.910 -2.622 1.148 424 HB2 LEU 49 2HB LEU 49 -7.505 -4.370 0.555 425 HB3 LEU 49 3HB LEU 49 -7.489 -2.637 0.271 426 HG LEU 49 HG LEU 49 -8.071 -3.836 3.011 427 HD11 LEU 49 1HD1 LEU 49 -5.392 -2.862 1.988 428 HD12 LEU 49 2HD1 LEU 49 -5.831 -4.538 2.316 429 HD13 LEU 49 3HD1 LEU 49 -5.761 -3.376 3.638 430 HD21 LEU 49 3HD2 LEU 49 -8.860 -1.533 2.705 431 HD22 LEU 49 1HD2 LEU 49 -7.247 -1.029 2.185 432 HD23 LEU 49 2HD2 LEU 49 -7.515 -1.589 3.839 433 H LYS 50 H LYS 50 -9.581 -5.314 -1.262 434 HA LYS 50 HA LYS 50 -9.539 -3.690 -3.573 435 HB2 LYS 50 2HB LYS 50 -10.424 -6.572 -3.173 436 HB3 LYS 50 3HB LYS 50 -10.503 -5.792 -4.751 437 HG2 LYS 50 2HG LYS 50 -8.038 -5.392 -4.658 438 HG3 LYS 50 3HG LYS 50 -7.983 -6.230 -3.105 439 HD2 LYS 50 2HD LYS 50 -7.283 -7.781 -4.824 440 HD3 LYS 50 3HD LYS 50 -8.864 -8.292 -4.234 441 HE2 LYS 50 2HE LYS 50 -8.814 -8.515 -6.645 442 HE3 LYS 50 3HE LYS 50 -9.904 -7.192 -6.237 443 HZ1 LYS 50 3HZ LYS 50 -7.093 -6.910 -7.181 444 HZ2 LYS 50 1HZ LYS 50 -8.111 -5.631 -6.765 445 HZ3 LYS 50 2HZ LYS 50 -8.483 -6.603 -8.093 446 H SER 51 H SER 51 -12.272 -5.123 -1.788 447 HA SER 51 HA SER 51 -14.347 -4.118 -3.416 448 HB2 SER 51 2HB SER 51 -14.664 -5.944 -1.768 449 HB3 SER 51 3HB SER 51 -14.446 -4.800 -0.445 450 HG SER 51 HG SER 51 -16.469 -4.642 -2.438 451 H GLN 52 H GLN 52 -12.532 -2.628 -0.772 452 HA GLN 52 HA GLN 52 -14.116 -0.245 -0.569 453 HB2 GLN 52 2HB GLN 52 -11.242 -0.834 0.262 454 HB3 GLN 52 3HB GLN 52 -12.030 0.714 0.566 455 HG2 GLN 52 2HG GLN 52 -13.762 -0.452 1.912 456 HG3 GLN 52 3HG GLN 52 -12.926 -1.979 1.642 457 HE21 GLN 52 1HE2 GLN 52 -10.976 -2.362 2.734 458 HE22 GLN 52 2HE2 GLN 52 -10.470 -1.406 4.079 459 H GLY 53 H GLY 53 -11.648 -1.310 -2.794 460 HA2 GLY 53 2HA GLY 53 -11.959 -0.270 -5.031 461 HA3 GLY 53 3HA GLY 53 -11.828 1.291 -4.239 462 H PHE 54 H PHE 54 -9.650 -0.900 -2.848 463 HA PHE 54 HA PHE 54 -7.353 0.342 -4.164 464 HB2 PHE 54 2HB PHE 54 -7.451 -1.777 -1.959 465 HB3 PHE 54 3HB PHE 54 -5.999 -0.951 -2.515 466 HD1 PHE 54 HD2 PHE 54 -5.689 1.496 -2.036 467 HD2 PHE 54 HD1 PHE 54 -8.949 -0.725 -0.383 468 HE1 PHE 54 HE2 PHE 54 -6.060 3.249 -0.350 469 HE2 PHE 54 HE1 PHE 54 -9.309 1.031 1.286 470 HZ PHE 54 HZ PHE 54 -7.859 3.005 1.302 471 H GLU 55 H GLU 55 -5.631 -0.914 -5.175 472 HA GLU 55 HA GLU 55 -6.363 -3.652 -6.045 473 HB2 GLU 55 2HB GLU 55 -5.693 -2.173 -7.893 474 HB3 GLU 55 3HB GLU 55 -4.186 -1.773 -7.077 475 HG2 GLU 55 2HG GLU 55 -3.909 -3.419 -8.938 476 HG3 GLU 55 3HG GLU 55 -3.338 -4.019 -7.383 477 H VAL 56 H VAL 56 -5.573 -5.236 -4.802 478 HA VAL 56 HA VAL 56 -3.249 -4.701 -3.035 479 HB VAL 56 HB VAL 56 -5.554 -6.574 -2.342 480 HG11 VAL 56 1HG1 VAL 56 -3.456 -7.012 -1.141 481 HG12 VAL 56 2HG1 VAL 56 -4.674 -6.372 -0.037 482 HG13 VAL 56 3HG1 VAL 56 -3.381 -5.326 -0.622 483 HG21 VAL 56 3HG2 VAL 56 -6.481 -4.312 -2.585 484 HG22 VAL 56 1HG2 VAL 56 -5.259 -3.682 -1.476 485 HG23 VAL 56 2HG2 VAL 56 -6.478 -4.819 -0.895 486 H ARG 57 H ARG 57 -1.656 -6.214 -3.018 487 HA ARG 57 HA ARG 57 -1.991 -8.709 -4.568 488 HB2 ARG 57 2HB ARG 57 0.320 -6.731 -4.785 489 HB3 ARG 57 3HB ARG 57 0.371 -8.357 -5.447 490 HG2 ARG 57 2HG ARG 57 -1.684 -6.281 -6.282 491 HG3 ARG 57 3HG ARG 57 -0.142 -6.513 -7.101 492 HD2 ARG 57 2HD ARG 57 -1.871 -7.666 -8.337 493 HD3 ARG 57 3HD ARG 57 -0.794 -8.861 -7.616 494 HE ARG 57 HE ARG 57 -3.425 -8.148 -6.453 495 HH11 ARG 57 1HH1 ARG 57 -1.145 -10.645 -7.481 496 HH12 ARG 57 2HH1 ARG 57 -2.138 -11.943 -6.897 497 HH21 ARG 57 1HH2 ARG 57 -4.670 -9.857 -5.665 498 HH22 ARG 57 2HH2 ARG 57 -4.130 -11.492 -5.869 499 H LYS 58 H LYS 58 -0.580 -10.399 -4.030 500 HA LYS 58 HA LYS 58 0.053 -10.542 -1.173 501 HB2 LYS 58 2HB LYS 58 -1.410 -12.240 -2.563 502 HB3 LYS 58 3HB LYS 58 0.116 -12.851 -3.174 503 HG2 LYS 58 2HG LYS 58 -0.652 -12.776 -0.242 504 HG3 LYS 58 3HG LYS 58 -0.886 -14.173 -1.286 505 HD2 LYS 58 2HD LYS 58 1.542 -14.368 -1.599 506 HD3 LYS 58 3HD LYS 58 1.805 -12.909 -0.644 507 HE2 LYS 58 2HE LYS 58 0.861 -14.058 1.342 508 HE3 LYS 58 3HE LYS 58 0.649 -15.525 0.381 509 HZ1 LYS 58 3HZ LYS 58 2.673 -15.690 1.602 510 HZ2 LYS 58 1HZ LYS 58 3.215 -14.185 1.040 511 HZ3 LYS 58 2HZ LYS 58 3.069 -15.487 -0.027 512 H VAL 59 H VAL 59 2.138 -10.414 -0.503 513 HA VAL 59 HA VAL 59 4.375 -10.905 -2.398 514 HB VAL 59 HB VAL 59 5.684 -9.224 -0.948 515 HG11 VAL 59 1HG1 VAL 59 3.347 -8.125 -2.552 516 HG12 VAL 59 2HG1 VAL 59 4.894 -8.661 -3.211 517 HG13 VAL 59 3HG1 VAL 59 4.830 -7.253 -2.149 518 HG21 VAL 59 3HG2 VAL 59 4.178 -9.171 1.010 519 HG22 VAL 59 1HG2 VAL 59 2.892 -8.472 0.019 520 HG23 VAL 59 2HG2 VAL 59 4.362 -7.550 0.334 521 H LYS 60 H LYS 60 6.498 -11.196 -0.978 522 HA LYS 60 HA LYS 60 5.960 -13.085 1.244 523 HB2 LYS 60 2HB LYS 60 8.224 -12.985 -0.785 524 HB3 LYS 60 3HB LYS 60 8.397 -13.874 0.720 525 HG2 LYS 60 2HG LYS 60 6.229 -14.398 -1.337 526 HG3 LYS 60 3HG LYS 60 7.758 -15.281 -1.247 527 HD2 LYS 60 2HD LYS 60 7.116 -15.893 1.159 528 HD3 LYS 60 3HD LYS 60 5.515 -15.234 0.810 529 HE2 LYS 60 2HE LYS 60 5.246 -16.896 -1.008 530 HE3 LYS 60 3HE LYS 60 6.844 -17.548 -0.645 531 HZ1 LYS 60 3HZ LYS 60 6.051 -18.169 1.554 532 HZ2 LYS 60 1HZ LYS 60 5.089 -18.870 0.356 533 HZ3 LYS 60 2HZ LYS 60 4.526 -17.533 1.216 534 H ASP 61 H ASP 61 9.150 -11.673 0.654 535 HA ASP 61 HA ASP 61 9.122 -10.527 3.376 536 HB2 ASP 61 2HB ASP 61 10.932 -12.197 2.541 537 HB3 ASP 61 3HB ASP 61 11.538 -10.897 1.525 538 H ASP 62 H ASP 62 10.608 -8.437 3.497 539 HA ASP 62 HA ASP 62 9.487 -6.312 1.973 540 HB2 ASP 62 2HB ASP 62 10.415 -6.012 4.264 541 HB3 ASP 62 3HB ASP 62 12.039 -6.285 3.646 542 H ASP 63 H ASP 63 12.414 -8.212 1.631 543 HA ASP 63 HA ASP 63 13.653 -7.019 -0.548 544 HB2 ASP 63 2HB ASP 63 13.318 -9.969 0.127 545 HB3 ASP 63 3HB ASP 63 14.240 -9.453 -1.284 546 H ASP 64 H ASP 64 10.855 -9.235 -0.612 547 HA ASP 64 HA ASP 64 10.612 -9.276 -3.486 548 HB2 ASP 64 2HB ASP 64 8.670 -10.218 -1.325 549 HB3 ASP 64 3HB ASP 64 8.501 -10.550 -3.052 550 H ILE 65 H ILE 65 9.088 -7.568 -0.862 551 HA ILE 65 HA ILE 65 7.135 -6.053 -2.188 552 HB ILE 65 HB ILE 65 8.864 -5.436 0.251 553 HG12 ILE 65 2HG1 ILE 65 5.919 -6.227 0.072 554 HG13 ILE 65 3HG1 ILE 65 7.235 -7.341 0.427 555 HG21 ILE 65 1HG2 ILE 65 7.343 -3.590 0.833 556 HG22 ILE 65 2HG2 ILE 65 6.496 -3.794 -0.699 557 HG23 ILE 65 3HG2 ILE 65 8.181 -3.278 -0.686 558 HD11 ILE 65 3HD1 ILE 65 6.054 -6.699 2.434 559 HD12 ILE 65 1HD1 ILE 65 6.402 -4.998 2.129 560 HD13 ILE 65 2HD1 ILE 65 7.718 -6.120 2.482 561 H ASP 66 H ASP 66 10.580 -5.350 -1.561 562 HA ASP 66 HA ASP 66 10.722 -2.797 -2.727 563 HB2 ASP 66 2HB ASP 66 12.368 -4.022 -1.112 564 HB3 ASP 66 3HB ASP 66 13.068 -4.745 -2.556 565 H LYS 67 H LYS 67 11.238 -6.017 -4.044 566 HA LYS 67 HA LYS 67 12.114 -5.218 -6.665 567 HB2 LYS 67 2HB LYS 67 11.033 -7.888 -5.657 568 HB3 LYS 67 3HB LYS 67 11.699 -7.634 -7.269 569 HG2 LYS 67 2HG LYS 67 13.889 -7.051 -6.289 570 HG3 LYS 67 3HG LYS 67 13.236 -7.284 -4.667 571 HD2 LYS 67 2HD LYS 67 13.474 -9.451 -6.802 572 HD3 LYS 67 3HD LYS 67 14.576 -9.239 -5.441 573 HE2 LYS 67 2HE LYS 67 12.712 -9.685 -3.872 574 HE3 LYS 67 3HE LYS 67 11.619 -9.909 -5.238 575 HZ1 LYS 67 3HZ LYS 67 13.989 -11.582 -4.607 576 HZ2 LYS 67 1HZ LYS 67 12.980 -11.795 -5.943 577 HZ3 LYS 67 2HZ LYS 67 12.372 -12.023 -4.378 578 H TRP 68 H TRP 68 9.024 -5.801 -5.140 579 HA TRP 68 HA TRP 68 7.387 -5.927 -7.479 580 HB2 TRP 68 2HB TRP 68 6.782 -6.755 -5.129 581 HB3 TRP 68 3HB TRP 68 6.526 -5.079 -4.669 582 HD1 TRP 68 HD1 TRP 68 4.932 -7.949 -6.563 583 HE1 TRP 68 HE1 TRP 68 2.524 -7.339 -7.164 584 HE3 TRP 68 HE3 TRP 68 4.991 -3.007 -5.267 585 HZ2 TRP 68 HZ2 TRP 68 0.860 -5.050 -7.143 586 HZ3 TRP 68 HZ3 TRP 68 2.946 -1.675 -5.576 587 HH2 TRP 68 HH2 TRP 68 0.919 -2.685 -6.496 588 H ILE 69 H ILE 69 8.531 -3.296 -5.386 589 HA ILE 69 HA ILE 69 7.083 -1.218 -6.755 590 HB ILE 69 HB ILE 69 9.207 -1.299 -4.596 591 HG12 ILE 69 2HG1 ILE 69 7.510 0.209 -3.422 592 HG13 ILE 69 3HG1 ILE 69 6.451 -0.002 -4.809 593 HG21 ILE 69 1HG2 ILE 69 8.516 1.259 -6.067 594 HG22 ILE 69 2HG2 ILE 69 10.095 0.473 -6.012 595 HG23 ILE 69 3HG2 ILE 69 9.404 1.166 -4.544 596 HD11 ILE 69 3HD1 ILE 69 6.383 -2.427 -4.324 597 HD12 ILE 69 1HD1 ILE 69 5.768 -1.426 -3.010 598 HD13 ILE 69 2HD1 ILE 69 7.377 -2.133 -2.896 599 H ASP 70 H ASP 70 10.285 -2.701 -6.997 600 HA ASP 70 HA ASP 70 11.596 -0.941 -8.715 601 HB2 ASP 70 2HB ASP 70 12.859 -2.680 -7.622 602 HB3 ASP 70 3HB ASP 70 11.877 -3.949 -8.345 603 H LYS 71 H LYS 71 9.437 -3.679 -9.513 604 HA LYS 71 HA LYS 71 9.779 -3.504 -12.321 605 HB2 LYS 71 2HB LYS 71 7.881 -5.003 -12.556 606 HB3 LYS 71 3HB LYS 71 8.901 -5.552 -11.234 607 HG2 LYS 71 2HG LYS 71 7.326 -4.675 -9.595 608 HG3 LYS 71 3HG LYS 71 6.331 -3.982 -10.869 609 HD2 LYS 71 2HD LYS 71 5.257 -5.978 -10.058 610 HD3 LYS 71 3HD LYS 71 5.837 -6.303 -11.688 611 HE2 LYS 71 2HE LYS 71 7.362 -7.145 -9.200 612 HE3 LYS 71 3HE LYS 71 6.145 -8.162 -9.967 613 HZ1 LYS 71 3HZ LYS 71 7.482 -8.020 -12.037 614 HZ2 LYS 71 1HZ LYS 71 8.270 -8.808 -10.764 615 HZ3 LYS 71 2HZ LYS 71 8.692 -7.229 -11.165 616 H ILE 72 H ILE 72 7.492 -1.861 -10.104 617 HA ILE 72 HA ILE 72 5.807 -0.803 -12.182 618 HB ILE 72 HB ILE 72 6.136 0.208 -9.313 619 HG12 ILE 72 2HG1 ILE 72 4.096 -1.684 -10.574 620 HG13 ILE 72 3HG1 ILE 72 5.257 -2.068 -9.307 621 HG21 ILE 72 1HG2 ILE 72 3.955 0.900 -11.331 622 HG22 ILE 72 2HG2 ILE 72 5.221 1.993 -10.770 623 HG23 ILE 72 3HG2 ILE 72 3.994 1.417 -9.644 624 HD11 ILE 72 3HD1 ILE 72 3.025 -1.854 -8.408 625 HD12 ILE 72 1HD1 ILE 72 2.889 -0.212 -9.034 626 HD13 ILE 72 2HD1 ILE 72 4.062 -0.584 -7.769 627 H LYS 73 H LYS 73 8.691 0.391 -10.489 628 HA LYS 73 HA LYS 73 8.731 3.000 -11.675 629 HB2 LYS 73 2HB LYS 73 11.041 1.372 -10.524 630 HB3 LYS 73 3HB LYS 73 11.087 3.097 -10.890 631 HG2 LYS 73 2HG LYS 73 9.313 3.484 -9.188 632 HG3 LYS 73 3HG LYS 73 9.339 1.763 -8.793 633 HD2 LYS 73 2HD LYS 73 11.650 3.721 -8.458 634 HD3 LYS 73 3HD LYS 73 10.656 3.052 -7.161 635 HE2 LYS 73 2HE LYS 73 11.493 0.781 -7.706 636 HE3 LYS 73 3HE LYS 73 12.499 1.463 -8.986 637 HZ1 LYS 73 3HZ LYS 73 13.613 2.804 -7.232 638 HZ2 LYS 73 1HZ LYS 73 13.835 1.133 -7.063 639 HZ3 LYS 73 2HZ LYS 73 12.740 1.945 -6.074 640 H LYS 74 H LYS 74 9.815 -0.175 -12.694 641 HA LYS 74 HA LYS 74 11.479 0.677 -14.867 642 HB2 LYS 74 2HB LYS 74 11.749 -1.446 -13.553 643 HB3 LYS 74 3HB LYS 74 10.264 -2.054 -14.270 644 HG2 LYS 74 2HG LYS 74 11.277 -2.123 -16.468 645 HG3 LYS 74 3HG LYS 74 12.723 -1.296 -15.887 646 HD2 LYS 74 2HD LYS 74 11.849 -4.022 -14.850 647 HD3 LYS 74 3HD LYS 74 12.912 -3.827 -16.239 648 HE2 LYS 74 2HE LYS 74 14.250 -4.300 -14.275 649 HE3 LYS 74 3HE LYS 74 14.556 -2.646 -14.785 650 HZ1 LYS 74 3HZ LYS 74 14.362 -2.823 -12.385 651 HZ2 LYS 74 1HZ LYS 74 12.803 -3.462 -12.519 652 HZ3 LYS 74 2HZ LYS 74 13.114 -1.873 -13.001 653 H GLU 75 H GLU 75 8.136 -0.517 -14.568 654 HA GLU 75 HA GLU 75 7.676 -0.572 -17.441 655 HB2 GLU 75 2HB GLU 75 5.709 -0.982 -15.143 656 HB3 GLU 75 3HB GLU 75 5.399 -1.331 -16.841 657 HG2 GLU 75 2HG GLU 75 7.413 -2.748 -15.070 658 HG3 GLU 75 3HG GLU 75 5.839 -3.369 -15.546 659 H ARG 76 H ARG 76 6.730 1.391 -14.654 660 HA ARG 76 HA ARG 76 5.878 3.586 -16.432 661 HB2 ARG 76 2HB ARG 76 4.396 2.483 -14.022 662 HB3 ARG 76 3HB ARG 76 4.182 4.161 -14.513 663 HG2 ARG 76 2HG ARG 76 3.398 3.442 -16.724 664 HG3 ARG 76 3HG ARG 76 3.640 1.753 -16.278 665 HD2 ARG 76 2HD ARG 76 1.872 1.848 -14.648 666 HD3 ARG 76 3HD ARG 76 1.755 3.608 -14.790 667 HE ARG 76 HE ARG 76 1.262 2.767 -17.317 668 HH11 ARG 76 1HH1 ARG 76 -0.208 1.834 -14.250 669 HH12 ARG 76 2HH1 ARG 76 -1.751 1.497 -14.969 670 HH21 ARG 76 1HH2 ARG 76 -0.778 2.419 -18.212 671 HH22 ARG 76 2HH2 ARG 76 -2.074 1.832 -17.221 672 HA PRO 77 HA PRO 77 8.962 5.601 -13.601 673 HB2 PRO 77 2HB PRO 77 9.951 6.801 -16.129 674 HB3 PRO 77 3HB PRO 77 10.847 5.890 -14.900 675 HG2 PRO 77 2HG PRO 77 10.360 4.880 -17.366 676 HG3 PRO 77 3HG PRO 77 10.479 3.856 -15.918 677 HD2 PRO 77 2HD PRO 77 8.008 4.820 -17.344 678 HD3 PRO 77 3HD PRO 77 8.376 3.211 -16.674 679 H GLN 78 H GLN 78 6.433 6.295 -15.726 680 HA GLN 78 HA GLN 78 6.432 9.132 -15.819 681 HB2 GLN 78 2HB GLN 78 4.202 8.922 -16.751 682 HB3 GLN 78 3HB GLN 78 5.240 7.678 -17.440 683 HG2 GLN 78 2HG GLN 78 4.240 5.993 -15.944 684 HG3 GLN 78 3HG GLN 78 3.221 7.231 -15.214 685 HE21 GLN 78 1HE2 GLN 78 3.696 5.194 -17.991 686 HE22 GLN 78 2HE2 GLN 78 2.191 5.548 -18.760 687 H LEU 79 H LEU 79 5.871 7.120 -13.211 688 HA LEU 79 HA LEU 79 4.669 9.277 -11.652 689 HB2 LEU 79 2HB LEU 79 3.168 7.490 -10.493 690 HB3 LEU 79 3HB LEU 79 2.671 8.143 -12.039 691 HG LEU 79 HG LEU 79 3.661 6.013 -13.116 692 HD11 LEU 79 1HD1 LEU 79 3.574 4.965 -10.277 693 HD12 LEU 79 2HD1 LEU 79 5.012 5.175 -11.278 694 HD13 LEU 79 3HD1 LEU 79 3.793 3.991 -11.735 695 HD21 LEU 79 3HD2 LEU 79 1.628 4.699 -12.719 696 HD22 LEU 79 1HD2 LEU 79 1.251 6.406 -12.945 697 HD23 LEU 79 2HD2 LEU 79 1.232 5.707 -11.324 698 H GLU 80 H GLU 80 5.381 9.365 -9.543 699 HA GLU 80 HA GLU 80 7.698 7.837 -8.774 700 HB2 GLU 80 2HB GLU 80 5.997 9.787 -7.178 701 HB3 GLU 80 3HB GLU 80 7.514 9.091 -6.616 702 HG2 GLU 80 2HG GLU 80 8.677 10.230 -8.518 703 HG3 GLU 80 3HG GLU 80 7.139 10.985 -8.951 704 H VAL 81 H VAL 81 7.818 6.254 -7.199 705 HA VAL 81 HA VAL 81 5.264 5.156 -6.135 706 HB VAL 81 HB VAL 81 7.770 3.523 -6.787 707 HG11 VAL 81 1HG1 VAL 81 6.318 2.547 -5.052 708 HG12 VAL 81 2HG1 VAL 81 6.276 1.578 -6.525 709 HG13 VAL 81 3HG1 VAL 81 4.929 2.651 -6.137 710 HG21 VAL 81 3HG2 VAL 81 5.249 3.790 -8.479 711 HG22 VAL 81 1HG2 VAL 81 6.593 2.688 -8.796 712 HG23 VAL 81 2HG2 VAL 81 6.840 4.433 -8.890 713 H ARG 82 H ARG 82 5.136 5.169 -3.975 714 HA ARG 82 HA ARG 82 7.577 5.555 -2.324 715 HB2 ARG 82 2HB ARG 82 6.033 7.454 -2.199 716 HB3 ARG 82 3HB ARG 82 4.678 6.392 -1.857 717 HG2 ARG 82 2HG ARG 82 5.412 7.611 0.148 718 HG3 ARG 82 3HG ARG 82 5.594 5.868 0.351 719 HD2 ARG 82 2HD ARG 82 7.503 7.209 1.253 720 HD3 ARG 82 3HD ARG 82 7.988 6.017 0.043 721 HE ARG 82 HE ARG 82 7.481 8.733 -0.902 722 HH11 ARG 82 1HH1 ARG 82 9.940 6.426 0.107 723 HH12 ARG 82 2HH1 ARG 82 11.226 7.284 -0.680 724 HH21 ARG 82 1HH2 ARG 82 9.169 9.795 -1.977 725 HH22 ARG 82 2HH2 ARG 82 10.792 9.188 -1.858 726 H LYS 83 H LYS 83 8.053 4.015 -0.838 727 HA LYS 83 HA LYS 83 6.207 1.762 -0.408 728 HB2 LYS 83 2HB LYS 83 9.123 1.967 -0.527 729 HB3 LYS 83 3HB LYS 83 8.662 1.278 1.020 730 HG2 LYS 83 2HG LYS 83 7.351 -0.465 -0.143 731 HG3 LYS 83 3HG LYS 83 7.818 0.231 -1.693 732 HD2 LYS 83 2HD LYS 83 9.208 -1.704 -1.246 733 HD3 LYS 83 3HD LYS 83 10.206 -0.253 -1.167 734 HE2 LYS 83 2HE LYS 83 10.116 -0.329 1.305 735 HE3 LYS 83 3HE LYS 83 9.090 -1.764 1.222 736 HZ1 LYS 83 3HZ LYS 83 11.383 -2.363 1.638 737 HZ2 LYS 83 1HZ LYS 83 11.890 -1.574 0.228 738 HZ3 LYS 83 2HZ LYS 83 10.902 -2.944 0.125 739 H VAL 84 H VAL 84 4.975 1.778 1.290 740 HA VAL 84 HA VAL 84 5.771 3.168 3.790 741 HB VAL 84 HB VAL 84 2.991 2.856 2.543 742 HG11 VAL 84 1HG1 VAL 84 3.690 4.127 5.215 743 HG12 VAL 84 2HG1 VAL 84 2.812 2.616 4.979 744 HG13 VAL 84 3HG1 VAL 84 2.100 4.138 4.446 745 HG21 VAL 84 3HG2 VAL 84 2.966 5.278 2.350 746 HG22 VAL 84 1HG2 VAL 84 4.375 4.635 1.512 747 HG23 VAL 84 2HG2 VAL 84 4.561 5.401 3.093 748 H THR 85 H THR 85 6.676 1.286 4.634 749 HA THR 85 HA THR 85 5.122 -1.197 4.747 750 HB THR 85 HB THR 85 7.291 -2.052 5.879 751 HG1 THR 85 HG1 THR 85 8.016 0.209 6.322 752 HG21 THR 85 3HG2 THR 85 7.472 -0.973 3.036 753 HG22 THR 85 1HG2 THR 85 6.806 -2.540 3.513 754 HG23 THR 85 2HG2 THR 85 8.523 -2.206 3.734 755 H ASP 86 H ASP 86 5.934 1.486 6.720 756 HA ASP 86 HA ASP 86 4.984 0.166 9.194 757 HB2 ASP 86 2HB ASP 86 7.041 2.391 8.839 758 HB3 ASP 86 3HB ASP 86 6.446 1.817 10.393 759 H GLU 87 H GLU 87 3.801 1.452 10.637 760 HA GLU 87 HA GLU 87 1.691 2.908 9.601 761 HB2 GLU 87 2HB GLU 87 1.590 1.739 11.742 762 HB3 GLU 87 3HB GLU 87 2.788 2.828 12.435 763 HG2 GLU 87 2HG GLU 87 1.129 4.719 12.069 764 HG3 GLU 87 3HG GLU 87 -0.062 3.496 11.631 765 H ASP 88 H ASP 88 4.652 4.158 11.215 766 HA ASP 88 HA ASP 88 3.903 6.838 11.445 767 HB2 ASP 88 2HB ASP 88 6.202 7.356 11.894 768 HB3 ASP 88 3HB ASP 88 5.912 5.749 12.542 769 H GLN 89 H GLN 89 5.412 5.139 8.718 770 HA GLN 89 HA GLN 89 5.905 7.351 7.030 771 HB2 GLN 89 2HB GLN 89 5.208 4.489 6.242 772 HB3 GLN 89 3HB GLN 89 5.928 5.694 5.179 773 HG2 GLN 89 2HG GLN 89 7.958 5.721 6.573 774 HG3 GLN 89 3HG GLN 89 7.235 4.530 7.659 775 HE21 GLN 89 1HE2 GLN 89 8.602 5.038 4.459 776 HE22 GLN 89 2HE2 GLN 89 8.830 3.366 4.089 777 H ALA 90 H ALA 90 3.042 5.304 7.497 778 HA ALA 90 HA ALA 90 1.456 6.345 5.373 779 HB1 ALA 90 3HB ALA 90 0.576 4.875 7.881 780 HB2 ALA 90 1HB ALA 90 1.047 4.130 6.355 781 HB3 ALA 90 2HB ALA 90 -0.406 5.129 6.434 782 H LYS 91 H LYS 91 1.946 7.310 8.696 783 HA LYS 91 HA LYS 91 -0.214 9.212 8.819 784 HB2 LYS 91 2HB LYS 91 2.222 8.811 10.604 785 HB3 LYS 91 3HB LYS 91 0.890 9.911 10.963 786 HG2 LYS 91 2HG LYS 91 -0.677 8.019 11.081 787 HG3 LYS 91 3HG LYS 91 0.620 6.900 10.649 788 HD2 LYS 91 2HD LYS 91 0.163 6.869 13.082 789 HD3 LYS 91 3HD LYS 91 1.804 7.415 12.734 790 HE2 LYS 91 2HE LYS 91 1.106 9.757 13.091 791 HE3 LYS 91 3HE LYS 91 -0.547 9.221 13.402 792 HZ1 LYS 91 3HZ LYS 91 0.782 9.661 15.426 793 HZ2 LYS 91 1HZ LYS 91 1.793 8.368 15.018 794 HZ3 LYS 91 2HZ LYS 91 0.161 8.094 15.355 795 H GLN 92 H GLN 92 3.230 9.361 7.970 796 HA GLN 92 HA GLN 92 3.372 12.250 8.076 797 HB2 GLN 92 2HB GLN 92 5.348 10.196 6.995 798 HB3 GLN 92 3HB GLN 92 5.674 11.924 7.097 799 HG2 GLN 92 2HG GLN 92 5.213 10.022 9.409 800 HG3 GLN 92 3HG GLN 92 6.734 10.775 8.944 801 HE21 GLN 92 1HE2 GLN 92 5.691 13.425 8.510 802 HE22 GLN 92 2HE2 GLN 92 5.236 14.058 10.048 803 H ILE 93 H ILE 93 3.054 9.798 5.499 804 HA ILE 93 HA ILE 93 3.188 11.553 3.318 805 HB ILE 93 HB ILE 93 1.976 9.875 1.945 806 HG12 ILE 93 2HG1 ILE 93 1.679 8.385 4.584 807 HG13 ILE 93 3HG1 ILE 93 0.377 9.041 3.602 808 HG21 ILE 93 1HG2 ILE 93 4.172 8.673 3.673 809 HG22 ILE 93 2HG2 ILE 93 4.418 9.705 2.264 810 HG23 ILE 93 3HG2 ILE 93 3.686 8.113 2.071 811 HD11 ILE 93 3HD1 ILE 93 0.489 6.667 3.337 812 HD12 ILE 93 1HD1 ILE 93 2.187 6.752 2.881 813 HD13 ILE 93 2HD1 ILE 93 0.955 7.437 1.821 814 H LEU 94 H LEU 94 0.497 10.887 5.487 815 HA LEU 94 HA LEU 94 -1.612 12.098 4.201 816 HB2 LEU 94 2HB LEU 94 -0.838 12.325 7.135 817 HB3 LEU 94 3HB LEU 94 -2.388 12.866 6.510 818 HG LEU 94 HG LEU 94 -1.388 9.991 6.450 819 HD11 LEU 94 1HD1 LEU 94 -3.073 9.559 8.173 820 HD12 LEU 94 2HD1 LEU 94 -3.470 11.277 8.235 821 HD13 LEU 94 3HD1 LEU 94 -1.868 10.720 8.727 822 HD21 LEU 94 3HD2 LEU 94 -2.884 10.450 4.570 823 HD22 LEU 94 1HD2 LEU 94 -4.093 11.130 5.665 824 HD23 LEU 94 2HD2 LEU 94 -3.679 9.414 5.750 825 H GLU 95 H GLU 95 1.038 13.726 5.930 826 HA GLU 95 HA GLU 95 0.104 16.420 5.287 827 HB2 GLU 95 2HB GLU 95 2.746 15.515 6.504 828 HB3 GLU 95 3HB GLU 95 2.162 17.173 6.429 829 HG2 GLU 95 2HG GLU 95 0.360 16.658 7.977 830 HG3 GLU 95 3HG GLU 95 0.800 14.951 7.987 831 H ASP 96 H ASP 96 2.254 14.062 3.989 832 HA ASP 96 HA ASP 96 4.191 15.661 2.659 833 HB2 ASP 96 2HB ASP 96 4.555 13.254 3.084 834 HB3 ASP 96 3HB ASP 96 3.273 12.843 1.959 835 H LEU 97 H LEU 97 1.220 14.153 1.478 836 HA LEU 97 HA LEU 97 1.443 15.090 -1.211 837 HB2 LEU 97 2HB LEU 97 -0.802 13.804 0.380 838 HB3 LEU 97 3HB LEU 97 -1.052 14.349 -1.268 839 HG LEU 97 HG LEU 97 0.781 12.770 -2.021 840 HD11 LEU 97 1HD1 LEU 97 0.647 11.625 0.775 841 HD12 LEU 97 2HD1 LEU 97 2.015 12.497 0.070 842 HD13 LEU 97 3HD1 LEU 97 1.526 10.944 -0.605 843 HD21 LEU 97 3HD2 LEU 97 -0.559 10.755 -1.934 844 HD22 LEU 97 1HD2 LEU 97 -1.574 12.165 -2.225 845 HD23 LEU 97 2HD2 LEU 97 -1.536 11.427 -0.620 846 H LYS 98 H LYS 98 0.349 16.535 1.722 847 HA LYS 98 HA LYS 98 -1.383 18.539 0.524 848 HB2 LYS 98 2HB LYS 98 -0.230 18.583 3.343 849 HB3 LYS 98 3HB LYS 98 -1.645 19.451 2.753 850 HG2 LYS 98 2HG LYS 98 -1.358 16.484 3.221 851 HG3 LYS 98 3HG LYS 98 -2.364 17.612 4.122 852 HD2 LYS 98 2HD LYS 98 -2.777 16.792 1.220 853 HD3 LYS 98 3HD LYS 98 -3.670 16.168 2.606 854 HE2 LYS 98 2HE LYS 98 -4.478 18.502 3.063 855 HE3 LYS 98 3HE LYS 98 -3.705 19.015 1.557 856 HZ1 LYS 98 3HZ LYS 98 -5.838 16.961 1.801 857 HZ2 LYS 98 1HZ LYS 98 -5.092 17.436 0.360 858 HZ3 LYS 98 2HZ LYS 98 -6.043 18.540 1.220 859 H LYS 99 H LYS 99 1.961 18.303 1.645 860 HA LYS 99 HA LYS 99 2.798 20.965 1.364 861 HB2 LYS 99 2HB LYS 99 4.431 18.462 0.739 862 HB3 LYS 99 3HB LYS 99 5.093 20.075 0.998 863 HG2 LYS 99 2HG LYS 99 4.236 20.009 3.342 864 HG3 LYS 99 3HG LYS 99 3.681 18.356 3.068 865 HD2 LYS 99 2HD LYS 99 6.567 19.338 2.962 866 HD3 LYS 99 3HD LYS 99 5.849 18.344 4.231 867 HE2 LYS 99 2HE LYS 99 5.503 16.519 2.583 868 HE3 LYS 99 3HE LYS 99 6.237 17.515 1.329 869 HZ1 LYS 99 3HZ LYS 99 8.311 17.456 2.487 870 HZ2 LYS 99 1HZ LYS 99 7.758 15.866 2.315 871 HZ3 LYS 99 2HZ LYS 99 7.630 16.652 3.802 872 H LYS 100 H LYS 100 2.279 18.440 -1.013 873 HA LYS 100 HA LYS 100 3.604 19.643 -3.208 874 HB2 LYS 100 2HB LYS 100 1.418 17.534 -3.136 875 HB3 LYS 100 3HB LYS 100 2.353 17.942 -4.567 876 HG2 LYS 100 2HG LYS 100 3.630 16.898 -2.017 877 HG3 LYS 100 3HG LYS 100 3.045 15.841 -3.294 878 HD2 LYS 100 2HD LYS 100 5.335 16.016 -3.771 879 HD3 LYS 100 3HD LYS 100 4.622 17.189 -4.873 880 HE2 LYS 100 2HE LYS 100 5.258 19.008 -3.315 881 HE3 LYS 100 3HE LYS 100 5.961 17.820 -2.219 882 HZ1 LYS 100 3HZ LYS 100 7.493 17.194 -4.031 883 HZ2 LYS 100 1HZ LYS 100 7.671 18.796 -3.530 884 HZ3 LYS 100 2HZ LYS 100 6.869 18.455 -4.972 885 H GLY 101 H GLY 101 0.338 19.993 -1.942 886 HA2 GLY 101 2HA GLY 101 -0.542 21.739 -4.114 887 HA3 GLY 101 3HA GLY 101 -1.399 21.389 -2.618 888 H SER 102 H SER 102 0.301 22.072 -0.691 889 HA SER 102 HA SER 102 0.432 25.012 -0.914 890 HB2 SER 102 2HB SER 102 0.185 23.277 1.582 891 HB3 SER 102 3HB SER 102 0.028 25.033 1.500 892 HG SER 102 HG SER 102 -1.670 23.932 -0.255 893 H LEU 103 H LEU 103 2.536 25.199 -1.720 894 HA LEU 103 HA LEU 103 4.826 24.064 -0.306 895 HB2 LEU 103 2HB LEU 103 4.567 25.831 -2.769 896 HB3 LEU 103 3HB LEU 103 6.123 25.386 -2.090 897 HG LEU 103 HG LEU 103 4.084 23.410 -3.203 898 HD11 LEU 103 1HD1 LEU 103 5.648 23.119 -5.076 899 HD12 LEU 103 2HD1 LEU 103 6.691 24.384 -4.420 900 HD13 LEU 103 3HD1 LEU 103 5.066 24.781 -4.982 901 HD21 LEU 103 3HD2 LEU 103 6.926 22.931 -2.230 902 HD22 LEU 103 1HD2 LEU 103 5.873 21.732 -2.985 903 HD23 LEU 103 2HD2 LEU 103 5.448 22.411 -1.416 904 H GLU 104 H GLU 104 3.085 25.984 1.091 905 HA GLU 104 HA GLU 104 4.400 28.495 1.482 906 HB2 GLU 104 2HB GLU 104 2.598 27.022 3.459 907 HB3 GLU 104 3HB GLU 104 2.863 28.760 3.351 908 HG2 GLU 104 2HG GLU 104 1.618 28.880 1.276 909 HG3 GLU 104 3HG GLU 104 1.499 27.123 1.190 910 H HIS 105 H HIS 105 5.325 29.071 3.736 911 HA HIS 105 HA HIS 105 7.272 27.209 4.720 912 HB2 HIS 105 2HB HIS 105 7.596 29.668 4.988 913 HB3 HIS 105 3HB HIS 105 6.183 29.755 6.036 914 HD1 HIS 105 HD1 HIS 105 6.486 29.085 8.494 915 HD2 HIS 105 HD2 HIS 105 9.879 28.399 6.185 916 HE1 HIS 105 HE1 HIS 105 8.307 28.486 10.120 917 HE2 HIS 105 HE2 HIS 105 10.310 27.971 8.688 918 H HIS 106 H HIS 106 6.495 25.330 5.548 919 HA HIS 106 HA HIS 106 3.998 24.833 6.687 920 HB2 HIS 106 2HB HIS 106 5.710 23.126 5.793 921 HB3 HIS 106 3HB HIS 106 6.533 23.257 7.342 922 HD1 HIS 106 HD1 HIS 106 5.916 21.349 8.832 923 HD2 HIS 106 HD2 HIS 106 2.775 22.416 6.325 924 HE1 HIS 106 HE1 HIS 106 4.033 19.775 9.391 925 HE2 HIS 106 HE2 HIS 106 2.263 20.283 7.680 926 H HIS 107 H HIS 107 3.210 25.793 8.468 927 HA HIS 107 HA HIS 107 5.036 27.104 10.336 928 HB2 HIS 107 2HB HIS 107 3.071 28.435 11.039 929 HB3 HIS 107 3HB HIS 107 3.286 28.480 9.298 930 HD1 HIS 107 HD1 HIS 107 0.826 27.699 11.905 931 HD2 HIS 107 HD2 HIS 107 1.288 26.896 7.851 932 HE1 HIS 107 HE1 HIS 107 -1.403 26.855 11.122 933 HE2 HIS 107 HE2 HIS 107 -1.041 26.199 8.727 934 H HIS 108 H HIS 108 5.729 25.313 11.599 935 HA HIS 108 HA HIS 108 5.774 24.074 13.537 936 HB2 HIS 108 2HB HIS 108 5.845 26.473 14.215 937 HB3 HIS 108 3HB HIS 108 4.100 26.477 14.398 938 HD1 HIS 108 HD1 HIS 108 7.245 25.682 16.169 939 HD2 HIS 108 HD2 HIS 108 3.172 25.074 16.754 940 HE1 HIS 108 HE1 HIS 108 6.970 25.177 18.609 941 HE2 HIS 108 HE2 HIS 108 4.493 25.076 18.973 942 H HIS 109 H HIS 109 4.451 22.223 12.743 943 HA HIS 109 HA HIS 109 1.603 22.211 13.041 944 HB2 HIS 109 2HB HIS 109 1.590 19.947 12.300 945 HB3 HIS 109 3HB HIS 109 2.891 20.716 11.417 946 HD1 HIS 109 HD1 HIS 109 5.190 19.649 11.612 947 HD2 HIS 109 HD2 HIS 109 2.477 18.087 14.336 948 HE1 HIS 109 HE1 HIS 109 6.306 17.643 12.610 949 HE2 HIS 109 HE2 HIS 109 4.590 16.636 14.131 950 H HIS 110 H HIS 110 4.277 21.236 15.072 951 HA HIS 110 HA HIS 110 2.901 21.690 17.466 952 HB2 HIS 110 2HB HIS 110 1.852 19.453 16.933 953 HB3 HIS 110 3HB HIS 110 3.452 18.720 16.981 954 HD1 HIS 110 HD1 HIS 110 4.142 17.825 19.212 955 HD2 HIS 110 HD2 HIS 110 1.125 20.664 19.548 956 HE1 HIS 110 HE1 HIS 110 3.490 17.837 21.639 957 HE2 HIS 110 HE2 HIS 110 1.723 19.617 21.824 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.914 14.418 -13.709 2 H2 MET 1 2H MET 1 5.303 15.375 -13.745 3 H3 MET 1 3H MET 1 3.774 16.097 -13.724 4 HA MET 1 HA MET 1 4.872 14.416 -11.560 5 HB2 MET 1 2HB MET 1 5.137 16.531 -10.279 6 HB3 MET 1 3HB MET 1 6.155 16.497 -11.709 7 HG2 MET 1 2HG MET 1 4.595 17.976 -12.881 8 HG3 MET 1 3HG MET 1 3.521 17.980 -11.483 9 HE1 MET 1 3HE MET 1 5.758 19.841 -8.820 10 HE2 MET 1 1HE MET 1 5.714 18.098 -9.088 11 HE3 MET 1 2HE MET 1 4.218 19.033 -9.107 12 H GLY 2 H GLY 2 3.544 14.387 -9.634 13 HA2 GLY 2 2HA GLY 2 1.476 14.696 -8.483 14 HA3 GLY 2 3HA GLY 2 0.692 15.133 -9.999 15 H SER 3 H SER 3 1.912 12.923 -11.488 16 HA SER 3 HA SER 3 0.118 10.790 -10.971 17 HB2 SER 3 2HB SER 3 2.636 10.771 -12.690 18 HB3 SER 3 3HB SER 3 1.326 9.586 -12.747 19 HG SER 3 HG SER 3 -0.062 11.265 -13.400 20 H LYS 4 H LYS 4 0.293 9.705 -9.112 21 HA LYS 4 HA LYS 4 2.744 8.287 -8.453 22 HB2 LYS 4 2HB LYS 4 3.129 10.336 -7.231 23 HB3 LYS 4 3HB LYS 4 1.496 10.362 -6.582 24 HG2 LYS 4 2HG LYS 4 1.976 8.800 -4.922 25 HG3 LYS 4 3HG LYS 4 3.232 8.002 -5.871 26 HD2 LYS 4 2HD LYS 4 4.091 9.256 -3.857 27 HD3 LYS 4 3HD LYS 4 4.826 9.735 -5.385 28 HE2 LYS 4 2HE LYS 4 3.230 11.711 -5.424 29 HE3 LYS 4 3HE LYS 4 2.739 11.261 -3.787 30 HZ1 LYS 4 3HZ LYS 4 4.485 12.977 -3.819 31 HZ2 LYS 4 1HZ LYS 4 5.534 11.906 -4.609 32 HZ3 LYS 4 2HZ LYS 4 5.005 11.575 -3.038 33 H ILE 5 H ILE 5 2.339 6.364 -7.509 34 HA ILE 5 HA ILE 5 -0.346 5.898 -6.338 35 HB ILE 5 HB ILE 5 -0.191 3.513 -6.905 36 HG12 ILE 5 2HG1 ILE 5 2.345 4.182 -8.471 37 HG13 ILE 5 3HG1 ILE 5 2.310 3.336 -6.928 38 HG21 ILE 5 1HG2 ILE 5 -0.575 3.652 -9.345 39 HG22 ILE 5 2HG2 ILE 5 0.148 5.265 -9.375 40 HG23 ILE 5 3HG2 ILE 5 -1.356 4.985 -8.491 41 HD11 ILE 5 3HD1 ILE 5 1.157 2.341 -9.530 42 HD12 ILE 5 1HD1 ILE 5 1.030 1.512 -7.973 43 HD13 ILE 5 2HD1 ILE 5 2.611 1.771 -8.710 44 H ILE 6 H ILE 6 -0.366 4.753 -4.402 45 HA ILE 6 HA ILE 6 2.218 4.783 -2.926 46 HB ILE 6 HB ILE 6 -0.587 5.341 -1.853 47 HG12 ILE 6 2HG1 ILE 6 0.371 7.270 -3.087 48 HG13 ILE 6 3HG1 ILE 6 0.240 7.620 -1.374 49 HG21 ILE 6 1HG2 ILE 6 0.498 5.741 0.333 50 HG22 ILE 6 2HG2 ILE 6 2.048 5.225 -0.340 51 HG23 ILE 6 3HG2 ILE 6 0.714 4.076 -0.209 52 HD11 ILE 6 3HD1 ILE 6 2.274 8.509 -2.312 53 HD12 ILE 6 1HD1 ILE 6 2.771 6.903 -2.840 54 HD13 ILE 6 2HD1 ILE 6 2.646 7.268 -1.116 55 H VAL 7 H VAL 7 2.826 2.673 -2.934 56 HA VAL 7 HA VAL 7 0.984 0.523 -2.368 57 HB VAL 7 HB VAL 7 4.025 0.622 -2.571 58 HG11 VAL 7 1HG1 VAL 7 3.967 -1.856 -2.469 59 HG12 VAL 7 2HG1 VAL 7 2.245 -1.789 -2.085 60 HG13 VAL 7 3HG1 VAL 7 3.429 -1.112 -0.962 61 HG21 VAL 7 3HG2 VAL 7 3.693 -0.646 -4.670 62 HG22 VAL 7 1HG2 VAL 7 2.829 0.894 -4.725 63 HG23 VAL 7 2HG2 VAL 7 1.945 -0.604 -4.433 64 H ILE 8 H ILE 8 0.359 -0.069 -0.383 65 HA ILE 8 HA ILE 8 1.974 0.729 1.974 66 HB ILE 8 HB ILE 8 -1.056 0.383 1.833 67 HG12 ILE 8 2HG1 ILE 8 0.702 2.851 2.184 68 HG13 ILE 8 3HG1 ILE 8 -0.367 2.499 0.833 69 HG21 ILE 8 1HG2 ILE 8 -1.085 1.068 4.220 70 HG22 ILE 8 2HG2 ILE 8 0.680 1.066 4.237 71 HG23 ILE 8 3HG2 ILE 8 -0.200 -0.443 3.986 72 HD11 ILE 8 3HD1 ILE 8 -1.192 3.162 3.650 73 HD12 ILE 8 1HD1 ILE 8 -2.287 2.723 2.337 74 HD13 ILE 8 2HD1 ILE 8 -1.315 4.184 2.219 75 H ILE 9 H ILE 9 2.490 -0.807 3.321 76 HA ILE 9 HA ILE 9 2.171 -3.599 2.519 77 HB ILE 9 HB ILE 9 4.322 -2.212 4.197 78 HG12 ILE 9 2HG1 ILE 9 5.876 -3.121 2.338 79 HG13 ILE 9 3HG1 ILE 9 4.425 -3.466 1.411 80 HG21 ILE 9 1HG2 ILE 9 4.106 -5.170 3.555 81 HG22 ILE 9 2HG2 ILE 9 3.880 -4.426 5.140 82 HG23 ILE 9 3HG2 ILE 9 5.464 -4.388 4.366 83 HD11 ILE 9 3HD1 ILE 9 5.341 -0.737 2.321 84 HD12 ILE 9 1HD1 ILE 9 3.907 -1.074 1.351 85 HD13 ILE 9 2HD1 ILE 9 5.511 -1.407 0.699 86 H SER 10 H SER 10 0.282 -4.139 3.525 87 HA SER 10 HA SER 10 -0.271 -3.183 6.259 88 HB2 SER 10 2HB SER 10 -1.945 -2.566 4.563 89 HB3 SER 10 3HB SER 10 -2.175 -4.261 4.139 90 HG SER 10 HG SER 10 -3.529 -2.954 5.892 91 H SER 11 H SER 11 -0.004 -4.524 7.813 92 HA SER 11 HA SER 11 -0.878 -7.327 7.636 93 HB2 SER 11 2HB SER 11 1.603 -7.381 7.475 94 HB3 SER 11 3HB SER 11 1.731 -6.436 8.957 95 HG SER 11 HG SER 11 0.232 -8.797 9.071 96 H ASP 12 H ASP 12 -2.434 -7.538 9.066 97 HA ASP 12 HA ASP 12 -3.682 -7.550 10.909 98 HB2 ASP 12 2HB ASP 12 -1.329 -6.238 12.320 99 HB3 ASP 12 3HB ASP 12 -2.773 -6.831 13.139 100 H ASP 13 H ASP 13 -2.070 -4.355 11.443 101 HA ASP 13 HA ASP 13 -4.430 -3.284 12.597 102 HB2 ASP 13 2HB ASP 13 -1.807 -1.999 11.758 103 HB3 ASP 13 3HB ASP 13 -3.118 -1.044 12.459 104 H THR 14 H THR 14 -5.911 -1.876 11.980 105 HA THR 14 HA THR 14 -6.531 -1.749 9.141 106 HB THR 14 HB THR 14 -8.243 -0.987 11.543 107 HG1 THR 14 HG1 THR 14 -7.522 -3.426 10.433 108 HG21 THR 14 3HG2 THR 14 -10.165 -1.363 10.022 109 HG22 THR 14 1HG2 THR 14 -9.061 -1.680 8.687 110 HG23 THR 14 2HG2 THR 14 -9.127 -0.069 9.412 111 H THR 15 H THR 15 -5.305 0.404 11.598 112 HA THR 15 HA THR 15 -6.157 2.877 10.649 113 HB THR 15 HB THR 15 -3.407 2.322 11.850 114 HG1 THR 15 HG1 THR 15 -4.541 2.690 13.865 115 HG21 THR 15 3HG2 THR 15 -5.199 4.792 11.951 116 HG22 THR 15 1HG2 THR 15 -3.709 4.642 11.011 117 HG23 THR 15 2HG2 THR 15 -3.650 4.611 12.773 118 H LEU 16 H LEU 16 -3.712 0.723 9.334 119 HA LEU 16 HA LEU 16 -2.451 2.630 7.580 120 HB2 LEU 16 2HB LEU 16 -2.481 -0.418 7.465 121 HB3 LEU 16 3HB LEU 16 -1.583 0.597 6.346 122 HG LEU 16 HG LEU 16 -0.314 1.533 8.356 123 HD11 LEU 16 1HD1 LEU 16 -0.259 0.231 10.414 124 HD12 LEU 16 2HD1 LEU 16 -1.565 -0.799 9.815 125 HD13 LEU 16 3HD1 LEU 16 -1.859 0.914 10.122 126 HD21 LEU 16 3HD2 LEU 16 0.031 -1.421 7.753 127 HD22 LEU 16 1HD2 LEU 16 1.238 -0.363 8.495 128 HD23 LEU 16 2HD2 LEU 16 0.714 -0.073 6.839 129 H GLU 17 H GLU 17 -5.264 0.597 7.457 130 HA GLU 17 HA GLU 17 -5.820 0.770 4.632 131 HB2 GLU 17 2HB GLU 17 -7.718 0.022 6.908 132 HB3 GLU 17 3HB GLU 17 -7.900 -0.380 5.201 133 HG2 GLU 17 2HG GLU 17 -5.951 -1.872 5.325 134 HG3 GLU 17 3HG GLU 17 -5.695 -1.409 7.009 135 H GLU 18 H GLU 18 -6.814 2.439 7.605 136 HA GLU 18 HA GLU 18 -8.847 4.103 6.557 137 HB2 GLU 18 2HB GLU 18 -7.030 4.304 8.989 138 HB3 GLU 18 3HB GLU 18 -8.170 5.591 8.608 139 HG2 GLU 18 2HG GLU 18 -8.920 2.700 9.124 140 HG3 GLU 18 3HG GLU 18 -9.013 3.999 10.314 141 H LEU 19 H LEU 19 -5.460 4.795 7.369 142 HA LEU 19 HA LEU 19 -5.192 7.331 6.303 143 HB2 LEU 19 2HB LEU 19 -3.096 5.136 6.545 144 HB3 LEU 19 3HB LEU 19 -2.721 6.824 6.237 145 HG LEU 19 HG LEU 19 -4.107 5.830 8.765 146 HD11 LEU 19 1HD1 LEU 19 -1.973 6.121 9.909 147 HD12 LEU 19 2HD1 LEU 19 -1.187 6.523 8.380 148 HD13 LEU 19 3HD1 LEU 19 -1.855 4.908 8.635 149 HD21 LEU 19 3HD2 LEU 19 -2.865 8.526 8.147 150 HD22 LEU 19 1HD2 LEU 19 -3.576 8.029 9.684 151 HD23 LEU 19 2HD2 LEU 19 -4.593 8.174 8.254 152 H ALA 20 H ALA 20 -4.783 4.172 4.722 153 HA ALA 20 HA ALA 20 -3.811 4.865 2.212 154 HB1 ALA 20 3HB ALA 20 -4.809 2.755 1.424 155 HB2 ALA 20 1HB ALA 20 -5.829 2.680 2.875 156 HB3 ALA 20 2HB ALA 20 -4.078 2.536 3.010 157 H ARG 21 H ARG 21 -7.180 4.652 3.288 158 HA ARG 21 HA ARG 21 -8.396 5.349 0.811 159 HB2 ARG 21 2HB ARG 21 -9.501 3.989 2.549 160 HB3 ARG 21 3HB ARG 21 -9.499 5.357 3.653 161 HG2 ARG 21 2HG ARG 21 -11.111 6.540 2.272 162 HG3 ARG 21 3HG ARG 21 -11.010 5.298 1.018 163 HD2 ARG 21 2HD ARG 21 -13.048 5.122 2.485 164 HD3 ARG 21 3HD ARG 21 -12.061 3.661 2.451 165 HE ARG 21 HE ARG 21 -11.374 4.070 4.651 166 HH11 ARG 21 1HH1 ARG 21 -13.633 6.550 3.578 167 HH12 ARG 21 2HH1 ARG 21 -13.964 7.102 5.190 168 HH21 ARG 21 1HH2 ARG 21 -11.826 4.778 6.747 169 HH22 ARG 21 2HH2 ARG 21 -12.938 6.093 6.989 170 H LYS 22 H LYS 22 -7.106 7.245 3.457 171 HA LYS 22 HA LYS 22 -8.387 9.736 2.653 172 HB2 LYS 22 2HB LYS 22 -6.478 8.944 4.862 173 HB3 LYS 22 3HB LYS 22 -6.621 10.643 4.439 174 HG2 LYS 22 2HG LYS 22 -8.052 10.117 6.339 175 HG3 LYS 22 3HG LYS 22 -9.029 10.599 4.952 176 HD2 LYS 22 2HD LYS 22 -9.611 8.246 4.519 177 HD3 LYS 22 3HD LYS 22 -8.547 7.727 5.827 178 HE2 LYS 22 2HE LYS 22 -11.047 9.417 6.152 179 HE3 LYS 22 3HE LYS 22 -10.905 7.699 6.524 180 HZ1 LYS 22 3HZ LYS 22 -9.293 8.227 8.238 181 HZ2 LYS 22 1HZ LYS 22 -10.725 9.086 8.508 182 HZ3 LYS 22 2HZ LYS 22 -9.377 9.871 7.863 183 H ILE 23 H ILE 23 -5.174 8.215 2.264 184 HA ILE 23 HA ILE 23 -3.671 10.351 1.246 185 HB ILE 23 HB ILE 23 -3.486 7.383 0.542 186 HG12 ILE 23 2HG1 ILE 23 -1.653 8.947 2.414 187 HG13 ILE 23 3HG1 ILE 23 -3.100 8.131 2.980 188 HG21 ILE 23 1HG2 ILE 23 -1.181 7.829 -0.261 189 HG22 ILE 23 2HG2 ILE 23 -1.444 9.561 -0.049 190 HG23 ILE 23 3HG2 ILE 23 -2.392 8.665 -1.240 191 HD11 ILE 23 3HD1 ILE 23 -2.207 5.988 2.251 192 HD12 ILE 23 1HD1 ILE 23 -1.125 6.798 3.379 193 HD13 ILE 23 2HD1 ILE 23 -0.749 6.787 1.656 194 H LYS 24 H LYS 24 -5.639 7.947 -0.503 195 HA LYS 24 HA LYS 24 -5.015 8.795 -3.101 196 HB2 LYS 24 2HB LYS 24 -6.941 7.450 -3.838 197 HB3 LYS 24 3HB LYS 24 -5.924 6.596 -2.689 198 HG2 LYS 24 2HG LYS 24 -7.530 6.806 -0.936 199 HG3 LYS 24 3HG LYS 24 -8.470 8.004 -1.835 200 HD2 LYS 24 2HD LYS 24 -9.539 5.749 -1.844 201 HD3 LYS 24 3HD LYS 24 -9.154 6.326 -3.467 202 HE2 LYS 24 2HE LYS 24 -7.041 4.916 -3.352 203 HE3 LYS 24 3HE LYS 24 -7.672 4.234 -1.851 204 HZ1 LYS 24 3HZ LYS 24 -9.595 3.428 -3.057 205 HZ2 LYS 24 1HZ LYS 24 -8.182 2.853 -3.784 206 HZ3 LYS 24 2HZ LYS 24 -9.035 4.127 -4.486 207 H ASP 25 H ASP 25 -7.221 10.180 -0.813 208 HA ASP 25 HA ASP 25 -9.085 11.427 -2.516 209 HB2 ASP 25 2HB ASP 25 -9.301 11.177 -0.005 210 HB3 ASP 25 3HB ASP 25 -8.146 12.488 0.187 211 H GLU 26 H GLU 26 -5.775 12.263 -1.807 212 HA GLU 26 HA GLU 26 -5.811 14.993 -2.640 213 HB2 GLU 26 2HB GLU 26 -3.484 13.030 -2.554 214 HB3 GLU 26 3HB GLU 26 -3.333 14.773 -2.732 215 HG2 GLU 26 2HG GLU 26 -4.374 13.283 -0.301 216 HG3 GLU 26 3HG GLU 26 -2.816 14.078 -0.453 217 H GLY 27 H GLY 27 -6.357 12.261 -4.492 218 HA2 GLY 27 2HA GLY 27 -7.086 12.540 -6.747 219 HA3 GLY 27 3HA GLY 27 -5.869 13.787 -6.986 220 H LEU 28 H LEU 28 -5.094 10.790 -5.355 221 HA LEU 28 HA LEU 28 -3.797 9.702 -7.778 222 HB2 LEU 28 2HB LEU 28 -1.822 9.054 -6.591 223 HB3 LEU 28 3HB LEU 28 -2.042 10.778 -6.398 224 HG LEU 28 HG LEU 28 -2.705 8.723 -4.236 225 HD11 LEU 28 1HD1 LEU 28 -0.228 10.464 -4.517 226 HD12 LEU 28 2HD1 LEU 28 -0.292 8.708 -4.706 227 HD13 LEU 28 3HD1 LEU 28 -0.627 9.434 -3.136 228 HD21 LEU 28 3HD2 LEU 28 -3.959 10.807 -3.997 229 HD22 LEU 28 1HD2 LEU 28 -2.467 11.744 -4.098 230 HD23 LEU 28 2HD2 LEU 28 -2.745 10.656 -2.734 231 H GLU 29 H GLU 29 -3.022 7.306 -7.237 232 HA GLU 29 HA GLU 29 -5.345 5.928 -6.013 233 HB2 GLU 29 2HB GLU 29 -4.863 5.524 -8.455 234 HB3 GLU 29 3HB GLU 29 -3.305 4.840 -8.011 235 HG2 GLU 29 2HG GLU 29 -4.987 3.098 -8.492 236 HG3 GLU 29 3HG GLU 29 -4.400 3.011 -6.830 237 H VAL 30 H VAL 30 -4.967 4.107 -4.668 238 HA VAL 30 HA VAL 30 -2.251 3.836 -3.514 239 HB VAL 30 HB VAL 30 -4.933 3.578 -2.059 240 HG11 VAL 30 1HG1 VAL 30 -3.349 1.860 -1.242 241 HG12 VAL 30 2HG1 VAL 30 -3.623 3.101 -0.017 242 HG13 VAL 30 3HG1 VAL 30 -2.130 3.107 -0.961 243 HG21 VAL 30 3HG2 VAL 30 -4.103 5.483 -0.707 244 HG22 VAL 30 1HG2 VAL 30 -4.227 5.905 -2.417 245 HG23 VAL 30 2HG2 VAL 30 -2.650 5.557 -1.706 246 H TYR 31 H TYR 31 -1.402 1.957 -3.741 247 HA TYR 31 HA TYR 31 -2.940 -0.502 -4.351 248 HB2 TYR 31 2HB TYR 31 0.013 0.212 -4.735 249 HB3 TYR 31 3HB TYR 31 -0.589 -1.430 -4.885 250 HD1 TYR 31 HD2 TYR 31 -2.194 1.708 -6.250 251 HD2 TYR 31 HD1 TYR 31 -0.104 -1.917 -7.149 252 HE1 TYR 31 HE2 TYR 31 -2.591 2.066 -8.648 253 HE2 TYR 31 HE1 TYR 31 -0.503 -1.551 -9.547 254 HH TYR 31 HH TYR 31 -2.089 -0.333 -10.995 255 H ILE 32 H ILE 32 -2.409 -2.397 -3.058 256 HA ILE 32 HA ILE 32 -0.979 -1.850 -0.507 257 HB ILE 32 HB ILE 32 -3.392 -3.708 -0.827 258 HG12 ILE 32 2HG1 ILE 32 -4.121 -1.313 -0.979 259 HG13 ILE 32 3HG1 ILE 32 -4.748 -2.115 0.452 260 HG21 ILE 32 1HG2 ILE 32 -1.863 -2.866 1.663 261 HG22 ILE 32 2HG2 ILE 32 -1.857 -4.462 0.911 262 HG23 ILE 32 3HG2 ILE 32 -3.331 -3.846 1.652 263 HD11 ILE 32 3HD1 ILE 32 -3.077 -0.983 1.823 264 HD12 ILE 32 1HD1 ILE 32 -4.064 0.160 0.912 265 HD13 ILE 32 2HD1 ILE 32 -2.422 -0.200 0.381 266 H LEU 33 H LEU 33 0.686 -3.252 -0.157 267 HA LEU 33 HA LEU 33 0.661 -5.902 -1.457 268 HB2 LEU 33 2HB LEU 33 2.922 -4.323 -0.187 269 HB3 LEU 33 3HB LEU 33 3.072 -6.022 -0.597 270 HG LEU 33 HG LEU 33 2.713 -3.693 -2.501 271 HD11 LEU 33 1HD1 LEU 33 4.845 -4.441 -3.447 272 HD12 LEU 33 2HD1 LEU 33 4.942 -5.722 -2.235 273 HD13 LEU 33 3HD1 LEU 33 4.989 -4.029 -1.739 274 HD21 LEU 33 3HD2 LEU 33 2.582 -6.638 -3.203 275 HD22 LEU 33 1HD2 LEU 33 2.717 -5.315 -4.365 276 HD23 LEU 33 2HD2 LEU 33 1.286 -5.448 -3.351 277 H LEU 34 H LEU 34 -0.199 -7.450 -0.270 278 HA LEU 34 HA LEU 34 -0.430 -7.128 2.640 279 HB2 LEU 34 2HB LEU 34 -2.354 -7.809 0.762 280 HB3 LEU 34 3HB LEU 34 -1.868 -9.400 1.308 281 HG LEU 34 HG LEU 34 -3.840 -8.597 2.551 282 HD11 LEU 34 1HD1 LEU 34 -3.084 -8.929 4.864 283 HD12 LEU 34 2HD1 LEU 34 -1.406 -8.699 4.364 284 HD13 LEU 34 3HD1 LEU 34 -2.323 -10.080 3.770 285 HD21 LEU 34 3HD2 LEU 34 -3.749 -6.636 4.013 286 HD22 LEU 34 1HD2 LEU 34 -3.421 -6.184 2.341 287 HD23 LEU 34 2HD2 LEU 34 -2.093 -6.300 3.500 288 H LYS 35 H LYS 35 0.967 -8.170 3.860 289 HA LYS 35 HA LYS 35 1.637 -10.960 3.328 290 HB2 LYS 35 2HB LYS 35 4.083 -10.396 4.114 291 HB3 LYS 35 3HB LYS 35 3.632 -10.107 2.445 292 HG2 LYS 35 2HG LYS 35 4.804 -8.178 2.888 293 HG3 LYS 35 3HG LYS 35 3.172 -7.645 3.264 294 HD2 LYS 35 2HD LYS 35 4.524 -6.771 4.993 295 HD3 LYS 35 3HD LYS 35 3.740 -8.162 5.728 296 HE2 LYS 35 2HE LYS 35 6.543 -8.245 4.563 297 HE3 LYS 35 3HE LYS 35 6.201 -7.879 6.255 298 HZ1 LYS 35 3HZ LYS 35 5.051 -10.056 6.374 299 HZ2 LYS 35 1HZ LYS 35 6.712 -10.168 6.078 300 HZ3 LYS 35 2HZ LYS 35 5.615 -10.402 4.820 301 H ASP 36 H ASP 36 1.024 -12.034 5.057 302 HA ASP 36 HA ASP 36 1.073 -10.793 7.741 303 HB2 ASP 36 2HB ASP 36 -1.218 -10.514 6.691 304 HB3 ASP 36 3HB ASP 36 -1.340 -12.268 6.554 305 H LYS 37 H LYS 37 0.754 -12.441 9.454 306 HA LYS 37 HA LYS 37 2.551 -14.629 9.112 307 HB2 LYS 37 2HB LYS 37 0.807 -13.772 11.455 308 HB3 LYS 37 3HB LYS 37 1.848 -15.185 11.528 309 HG2 LYS 37 2HG LYS 37 3.008 -13.392 12.595 310 HG3 LYS 37 3HG LYS 37 3.818 -13.709 11.065 311 HD2 LYS 37 2HD LYS 37 3.761 -11.349 11.303 312 HD3 LYS 37 3HD LYS 37 2.526 -11.728 10.104 313 HE2 LYS 37 2HE LYS 37 1.909 -11.244 13.040 314 HE3 LYS 37 3HE LYS 37 1.913 -9.973 11.822 315 HZ1 LYS 37 3HZ LYS 37 0.180 -11.237 10.625 316 HZ2 LYS 37 1HZ LYS 37 -0.302 -10.699 12.151 317 HZ3 LYS 37 2HZ LYS 37 0.102 -12.323 11.918 318 H ASP 38 H ASP 38 -0.893 -14.330 9.006 319 HA ASP 38 HA ASP 38 -1.218 -17.251 8.565 320 HB2 ASP 38 2HB ASP 38 -3.310 -15.148 9.330 321 HB3 ASP 38 3HB ASP 38 -3.628 -16.861 9.074 322 H GLU 39 H GLU 39 -1.032 -17.539 6.358 323 HA GLU 39 HA GLU 39 -1.899 -15.927 4.283 324 HB2 GLU 39 2HB GLU 39 -1.919 -17.920 2.885 325 HB3 GLU 39 3HB GLU 39 -0.554 -18.008 3.988 326 HG2 GLU 39 2HG GLU 39 -3.172 -19.508 4.333 327 HG3 GLU 39 3HG GLU 39 -1.699 -20.186 3.646 328 H LYS 40 H LYS 40 -3.781 -18.000 6.409 329 HA LYS 40 HA LYS 40 -6.281 -18.085 5.179 330 HB2 LYS 40 2HB LYS 40 -5.674 -17.769 8.154 331 HB3 LYS 40 3HB LYS 40 -7.223 -18.282 7.486 332 HG2 LYS 40 2HG LYS 40 -6.251 -20.331 6.638 333 HG3 LYS 40 3HG LYS 40 -4.628 -19.813 7.102 334 HD2 LYS 40 2HD LYS 40 -6.927 -20.379 9.023 335 HD3 LYS 40 3HD LYS 40 -5.567 -21.459 8.709 336 HE2 LYS 40 2HE LYS 40 -4.012 -19.780 9.638 337 HE3 LYS 40 3HE LYS 40 -5.360 -18.675 9.915 338 HZ1 LYS 40 3HZ LYS 40 -4.968 -21.318 11.225 339 HZ2 LYS 40 1HZ LYS 40 -6.316 -20.325 11.443 340 HZ3 LYS 40 2HZ LYS 40 -4.791 -19.803 11.951 341 H ARG 41 H ARG 41 -5.104 -15.670 7.542 342 HA ARG 41 HA ARG 41 -7.423 -13.996 7.293 343 HB2 ARG 41 2HB ARG 41 -6.252 -14.157 9.438 344 HB3 ARG 41 3HB ARG 41 -4.765 -13.553 8.716 345 HG2 ARG 41 2HG ARG 41 -5.684 -11.349 8.431 346 HG3 ARG 41 3HG ARG 41 -7.315 -11.903 8.815 347 HD2 ARG 41 2HD ARG 41 -6.636 -12.327 11.145 348 HD3 ARG 41 3HD ARG 41 -4.984 -11.832 10.762 349 HE ARG 41 HE ARG 41 -5.616 -9.659 10.940 350 HH11 ARG 41 1HH1 ARG 41 -8.582 -11.531 10.524 351 HH12 ARG 41 2HH1 ARG 41 -9.619 -10.166 10.793 352 HH21 ARG 41 1HH2 ARG 41 -6.977 -7.896 11.326 353 HH22 ARG 41 2HH2 ARG 41 -8.702 -8.094 11.251 354 H LEU 42 H LEU 42 -4.204 -14.062 5.896 355 HA LEU 42 HA LEU 42 -3.996 -11.516 4.768 356 HB2 LEU 42 2HB LEU 42 -2.157 -13.133 4.944 357 HB3 LEU 42 3HB LEU 42 -2.950 -14.225 3.836 358 HG LEU 42 HG LEU 42 -2.021 -11.480 2.894 359 HD11 LEU 42 1HD1 LEU 42 0.102 -12.478 2.165 360 HD12 LEU 42 2HD1 LEU 42 -0.321 -13.995 2.967 361 HD13 LEU 42 3HD1 LEU 42 -0.062 -12.531 3.921 362 HD21 LEU 42 3HD2 LEU 42 -3.490 -12.707 1.353 363 HD22 LEU 42 1HD2 LEU 42 -2.418 -14.105 1.413 364 HD23 LEU 42 2HD2 LEU 42 -1.863 -12.590 0.692 365 H GLU 43 H GLU 43 -5.311 -14.547 3.391 366 HA GLU 43 HA GLU 43 -6.022 -13.699 0.858 367 HB2 GLU 43 2HB GLU 43 -5.949 -16.059 1.947 368 HB3 GLU 43 3HB GLU 43 -7.580 -15.726 2.507 369 HG2 GLU 43 2HG GLU 43 -7.739 -17.056 0.535 370 HG3 GLU 43 3HG GLU 43 -8.270 -15.424 0.119 371 H GLU 44 H GLU 44 -8.005 -13.767 3.832 372 HA GLU 44 HA GLU 44 -10.404 -12.755 2.750 373 HB2 GLU 44 2HB GLU 44 -9.316 -12.550 5.592 374 HB3 GLU 44 3HB GLU 44 -10.988 -12.247 5.129 375 HG2 GLU 44 2HG GLU 44 -9.562 -14.902 4.804 376 HG3 GLU 44 3HG GLU 44 -10.592 -14.485 6.167 377 H LYS 45 H LYS 45 -7.609 -11.214 4.279 378 HA LYS 45 HA LYS 45 -8.619 -8.625 4.599 379 HB2 LYS 45 2HB LYS 45 -6.625 -9.545 5.805 380 HB3 LYS 45 3HB LYS 45 -5.707 -9.483 4.311 381 HG2 LYS 45 2HG LYS 45 -5.019 -7.621 5.600 382 HG3 LYS 45 3HG LYS 45 -6.033 -6.968 4.317 383 HD2 LYS 45 2HD LYS 45 -7.150 -7.541 7.086 384 HD3 LYS 45 3HD LYS 45 -6.308 -6.036 6.730 385 HE2 LYS 45 2HE LYS 45 -7.968 -5.488 5.011 386 HE3 LYS 45 3HE LYS 45 -8.798 -7.015 5.302 387 HZ1 LYS 45 3HZ LYS 45 -9.898 -5.223 6.450 388 HZ2 LYS 45 1HZ LYS 45 -8.479 -4.810 7.259 389 HZ3 LYS 45 2HZ LYS 45 -9.232 -6.284 7.580 390 H ILE 46 H ILE 46 -6.776 -10.075 1.922 391 HA ILE 46 HA ILE 46 -6.342 -7.838 0.299 392 HB ILE 46 HB ILE 46 -6.878 -10.735 -0.515 393 HG12 ILE 46 2HG1 ILE 46 -4.281 -9.159 -0.213 394 HG13 ILE 46 3HG1 ILE 46 -4.822 -10.502 0.785 395 HG21 ILE 46 1HG2 ILE 46 -5.975 -10.227 -2.753 396 HG22 ILE 46 2HG2 ILE 46 -5.845 -8.523 -2.325 397 HG23 ILE 46 3HG2 ILE 46 -7.432 -9.281 -2.431 398 HD11 ILE 46 3HD1 ILE 46 -4.587 -12.009 -1.145 399 HD12 ILE 46 1HD1 ILE 46 -3.080 -11.204 -0.714 400 HD13 ILE 46 2HD1 ILE 46 -3.995 -10.654 -2.115 401 H GLN 47 H GLN 47 -9.155 -10.047 0.440 402 HA GLN 47 HA GLN 47 -10.603 -8.772 -1.679 403 HB2 GLN 47 2HB GLN 47 -11.579 -10.732 0.439 404 HB3 GLN 47 3HB GLN 47 -12.474 -10.268 -1.007 405 HG2 GLN 47 2HG GLN 47 -9.835 -11.759 -0.936 406 HG3 GLN 47 3HG GLN 47 -11.414 -12.455 -1.286 407 HE21 GLN 47 1HE2 GLN 47 -8.797 -10.523 -2.527 408 HE22 GLN 47 2HE2 GLN 47 -9.309 -10.508 -4.176 409 H LYS 48 H LYS 48 -10.460 -8.273 1.805 410 HA LYS 48 HA LYS 48 -12.869 -6.711 2.039 411 HB2 LYS 48 2HB LYS 48 -10.420 -6.660 3.866 412 HB3 LYS 48 3HB LYS 48 -12.005 -5.992 4.247 413 HG2 LYS 48 2HG LYS 48 -11.262 -8.905 3.933 414 HG3 LYS 48 3HG LYS 48 -11.744 -8.075 5.410 415 HD2 LYS 48 2HD LYS 48 -14.025 -7.753 4.472 416 HD3 LYS 48 3HD LYS 48 -13.531 -8.590 2.995 417 HE2 LYS 48 2HE LYS 48 -14.772 -10.107 4.463 418 HE3 LYS 48 3HE LYS 48 -13.099 -10.644 4.310 419 HZ1 LYS 48 3HZ LYS 48 -12.626 -9.652 6.464 420 HZ2 LYS 48 1HZ LYS 48 -13.884 -10.773 6.590 421 HZ3 LYS 48 2HZ LYS 48 -14.224 -9.120 6.604 422 H LEU 49 H LEU 49 -9.466 -6.011 1.461 423 HA LEU 49 HA LEU 49 -9.673 -3.157 1.491 424 HB2 LEU 49 2HB LEU 49 -7.576 -5.070 0.438 425 HB3 LEU 49 3HB LEU 49 -7.388 -3.326 0.336 426 HG LEU 49 HG LEU 49 -7.797 -4.749 2.992 427 HD11 LEU 49 1HD1 LEU 49 -5.148 -4.042 1.701 428 HD12 LEU 49 2HD1 LEU 49 -5.788 -5.671 1.932 429 HD13 LEU 49 3HD1 LEU 49 -5.388 -4.680 3.332 430 HD21 LEU 49 3HD2 LEU 49 -8.283 -2.350 2.976 431 HD22 LEU 49 1HD2 LEU 49 -6.689 -2.008 2.289 432 HD23 LEU 49 2HD2 LEU 49 -6.834 -2.694 3.909 433 H LYS 50 H LYS 50 -9.715 -5.632 -1.100 434 HA LYS 50 HA LYS 50 -9.922 -3.819 -3.262 435 HB2 LYS 50 2HB LYS 50 -10.805 -6.733 -3.068 436 HB3 LYS 50 3HB LYS 50 -10.752 -5.797 -4.563 437 HG2 LYS 50 2HG LYS 50 -8.256 -5.438 -4.102 438 HG3 LYS 50 3HG LYS 50 -8.414 -6.645 -2.828 439 HD2 LYS 50 2HD LYS 50 -7.563 -7.694 -4.873 440 HD3 LYS 50 3HD LYS 50 -9.178 -8.315 -4.513 441 HE2 LYS 50 2HE LYS 50 -10.154 -6.827 -6.199 442 HE3 LYS 50 3HE LYS 50 -8.578 -6.099 -6.501 443 HZ1 LYS 50 3HZ LYS 50 -9.174 -7.723 -8.188 444 HZ2 LYS 50 1HZ LYS 50 -9.271 -8.943 -7.025 445 HZ3 LYS 50 2HZ LYS 50 -7.787 -8.204 -7.354 446 H SER 51 H SER 51 -12.347 -5.338 -1.159 447 HA SER 51 HA SER 51 -14.667 -4.300 -2.333 448 HB2 SER 51 2HB SER 51 -14.737 -5.964 -0.530 449 HB3 SER 51 3HB SER 51 -14.056 -4.805 0.610 450 HG SER 51 HG SER 51 -16.236 -4.797 0.920 451 H GLN 52 H GLN 52 -12.446 -2.823 0.063 452 HA GLN 52 HA GLN 52 -13.770 -0.292 0.223 453 HB2 GLN 52 2HB GLN 52 -10.897 -1.078 0.892 454 HB3 GLN 52 3HB GLN 52 -11.640 0.459 1.328 455 HG2 GLN 52 2HG GLN 52 -13.215 -0.668 2.800 456 HG3 GLN 52 3HG GLN 52 -12.614 -2.247 2.297 457 HE21 GLN 52 1HE2 GLN 52 -10.535 -2.911 3.042 458 HE22 GLN 52 2HE2 GLN 52 -9.773 -2.161 4.398 459 H GLY 53 H GLY 53 -11.767 -1.700 -2.187 460 HA2 GLY 53 2HA GLY 53 -11.603 -0.856 -4.371 461 HA3 GLY 53 3HA GLY 53 -11.827 0.780 -3.770 462 H PHE 54 H PHE 54 -9.519 -1.858 -3.028 463 HA PHE 54 HA PHE 54 -7.260 -0.050 -3.713 464 HB2 PHE 54 2HB PHE 54 -7.412 -2.103 -1.454 465 HB3 PHE 54 3HB PHE 54 -5.932 -1.284 -1.948 466 HD1 PHE 54 HD2 PHE 54 -6.024 1.352 -1.956 467 HD2 PHE 54 HD1 PHE 54 -8.703 -1.126 0.277 468 HE1 PHE 54 HE2 PHE 54 -6.562 3.238 -0.482 469 HE2 PHE 54 HE1 PHE 54 -9.236 0.777 1.746 470 HZ PHE 54 HZ PHE 54 -8.162 2.958 1.359 471 H GLU 55 H GLU 55 -5.594 -0.907 -4.892 472 HA GLU 55 HA GLU 55 -6.029 -3.458 -6.240 473 HB2 GLU 55 2HB GLU 55 -5.335 -1.477 -7.575 474 HB3 GLU 55 3HB GLU 55 -3.840 -1.369 -6.654 475 HG2 GLU 55 2HG GLU 55 -3.463 -2.397 -8.858 476 HG3 GLU 55 3HG GLU 55 -3.085 -3.519 -7.554 477 H VAL 56 H VAL 56 -5.671 -4.962 -4.661 478 HA VAL 56 HA VAL 56 -3.248 -4.818 -3.002 479 HB VAL 56 HB VAL 56 -5.548 -6.778 -2.632 480 HG11 VAL 56 1HG1 VAL 56 -3.484 -7.330 -1.411 481 HG12 VAL 56 2HG1 VAL 56 -4.747 -6.834 -0.281 482 HG13 VAL 56 3HG1 VAL 56 -3.450 -5.713 -0.701 483 HG21 VAL 56 3HG2 VAL 56 -6.555 -5.229 -1.045 484 HG22 VAL 56 1HG2 VAL 56 -6.467 -4.491 -2.645 485 HG23 VAL 56 2HG2 VAL 56 -5.314 -4.022 -1.392 486 H ARG 57 H ARG 57 -1.670 -6.215 -3.173 487 HA ARG 57 HA ARG 57 -1.860 -8.680 -4.793 488 HB2 ARG 57 2HB ARG 57 0.397 -6.612 -4.986 489 HB3 ARG 57 3HB ARG 57 0.391 -8.186 -5.777 490 HG2 ARG 57 2HG ARG 57 -1.585 -5.952 -6.331 491 HG3 ARG 57 3HG ARG 57 -0.169 -6.324 -7.313 492 HD2 ARG 57 2HD ARG 57 -1.094 -8.451 -7.979 493 HD3 ARG 57 3HD ARG 57 -2.404 -8.320 -6.806 494 HE ARG 57 HE ARG 57 -3.247 -6.431 -8.117 495 HH11 ARG 57 1HH1 ARG 57 -1.112 -8.679 -9.776 496 HH12 ARG 57 2HH1 ARG 57 -1.747 -8.303 -11.346 497 HH21 ARG 57 1HH2 ARG 57 -4.099 -5.970 -10.122 498 HH22 ARG 57 2HH2 ARG 57 -3.463 -6.744 -11.539 499 H LYS 58 H LYS 58 -0.596 -10.358 -3.972 500 HA LYS 58 HA LYS 58 0.218 -10.058 -1.185 501 HB2 LYS 58 2HB LYS 58 -1.223 -11.938 -1.717 502 HB3 LYS 58 3HB LYS 58 -0.148 -12.465 -3.008 503 HG2 LYS 58 2HG LYS 58 1.579 -13.069 -1.354 504 HG3 LYS 58 3HG LYS 58 0.536 -12.494 -0.046 505 HD2 LYS 58 2HD LYS 58 0.445 -14.957 -0.264 506 HD3 LYS 58 3HD LYS 58 -1.129 -14.219 -0.574 507 HE2 LYS 58 2HE LYS 58 -0.534 -14.351 -3.071 508 HE3 LYS 58 3HE LYS 58 0.816 -15.381 -2.586 509 HZ1 LYS 58 3HZ LYS 58 -0.832 -16.858 -1.520 510 HZ2 LYS 58 1HZ LYS 58 -1.029 -16.737 -3.193 511 HZ3 LYS 58 2HZ LYS 58 -2.072 -15.908 -2.157 512 H VAL 59 H VAL 59 2.283 -10.275 -0.457 513 HA VAL 59 HA VAL 59 4.481 -11.071 -2.253 514 HB VAL 59 HB VAL 59 5.934 -9.226 -1.242 515 HG11 VAL 59 1HG1 VAL 59 3.641 -8.267 -2.994 516 HG12 VAL 59 2HG1 VAL 59 5.123 -9.045 -3.554 517 HG13 VAL 59 3HG1 VAL 59 5.200 -7.459 -2.786 518 HG21 VAL 59 3HG2 VAL 59 3.242 -8.118 -0.357 519 HG22 VAL 59 1HG2 VAL 59 4.770 -7.234 -0.298 520 HG23 VAL 59 2HG2 VAL 59 4.547 -8.676 0.692 521 H LYS 60 H LYS 60 6.565 -11.179 -0.732 522 HA LYS 60 HA LYS 60 5.810 -12.669 1.715 523 HB2 LYS 60 2HB LYS 60 8.283 -12.775 -0.055 524 HB3 LYS 60 3HB LYS 60 8.204 -13.579 1.507 525 HG2 LYS 60 2HG LYS 60 6.368 -14.136 -0.839 526 HG3 LYS 60 3HG LYS 60 7.776 -15.104 -0.383 527 HD2 LYS 60 2HD LYS 60 6.608 -15.362 1.930 528 HD3 LYS 60 3HD LYS 60 5.161 -14.752 1.117 529 HE2 LYS 60 2HE LYS 60 5.196 -17.216 1.178 530 HE3 LYS 60 3HE LYS 60 5.264 -16.623 -0.484 531 HZ1 LYS 60 3HZ LYS 60 7.652 -17.464 1.088 532 HZ2 LYS 60 1HZ LYS 60 7.609 -17.050 -0.551 533 HZ3 LYS 60 2HZ LYS 60 6.838 -18.452 -0.016 534 H ASP 61 H ASP 61 8.761 -10.905 0.783 535 HA ASP 61 HA ASP 61 8.877 -9.678 3.499 536 HB2 ASP 61 2HB ASP 61 10.369 -11.739 3.192 537 HB3 ASP 61 3HB ASP 61 11.216 -10.887 1.911 538 H ASP 62 H ASP 62 10.826 -7.936 3.354 539 HA ASP 62 HA ASP 62 9.943 -5.977 1.431 540 HB2 ASP 62 2HB ASP 62 10.622 -5.337 3.760 541 HB3 ASP 62 3HB ASP 62 12.289 -5.710 3.346 542 H ASP 63 H ASP 63 12.431 -8.333 1.524 543 HA ASP 63 HA ASP 63 14.128 -7.574 -0.565 544 HB2 ASP 63 2HB ASP 63 14.386 -9.690 0.761 545 HB3 ASP 63 3HB ASP 63 12.966 -10.360 -0.035 546 H ASP 64 H ASP 64 10.972 -9.195 -0.700 547 HA ASP 64 HA ASP 64 10.687 -9.158 -3.554 548 HB2 ASP 64 2HB ASP 64 8.583 -9.585 -1.368 549 HB3 ASP 64 3HB ASP 64 8.372 -9.970 -3.074 550 H ILE 65 H ILE 65 9.494 -7.171 -0.872 551 HA ILE 65 HA ILE 65 7.536 -5.672 -2.275 552 HB ILE 65 HB ILE 65 9.029 -5.004 0.297 553 HG12 ILE 65 2HG1 ILE 65 6.192 -6.069 -0.041 554 HG13 ILE 65 3HG1 ILE 65 7.581 -7.095 0.276 555 HG21 ILE 65 1HG2 ILE 65 7.288 -3.346 0.805 556 HG22 ILE 65 2HG2 ILE 65 6.546 -3.634 -0.768 557 HG23 ILE 65 3HG2 ILE 65 8.154 -2.926 -0.675 558 HD11 ILE 65 3HD1 ILE 65 6.538 -4.945 2.116 559 HD12 ILE 65 1HD1 ILE 65 7.915 -6.005 2.427 560 HD13 ILE 65 2HD1 ILE 65 6.293 -6.682 2.288 561 H ASP 66 H ASP 66 10.867 -4.699 -1.282 562 HA ASP 66 HA ASP 66 10.860 -2.131 -2.445 563 HB2 ASP 66 2HB ASP 66 12.508 -2.917 -0.732 564 HB3 ASP 66 3HB ASP 66 13.255 -3.959 -1.938 565 H LYS 67 H LYS 67 11.596 -5.254 -3.732 566 HA LYS 67 HA LYS 67 12.724 -4.432 -6.254 567 HB2 LYS 67 2HB LYS 67 13.416 -6.469 -5.102 568 HB3 LYS 67 3HB LYS 67 11.775 -7.091 -5.116 569 HG2 LYS 67 2HG LYS 67 11.873 -7.497 -7.490 570 HG3 LYS 67 3HG LYS 67 13.402 -6.619 -7.628 571 HD2 LYS 67 2HD LYS 67 13.664 -9.138 -7.643 572 HD3 LYS 67 3HD LYS 67 14.595 -8.322 -6.387 573 HE2 LYS 67 2HE LYS 67 12.789 -8.908 -4.740 574 HE3 LYS 67 3HE LYS 67 11.972 -9.817 -6.013 575 HZ1 LYS 67 3HZ LYS 67 13.408 -11.154 -4.472 576 HZ2 LYS 67 1HZ LYS 67 14.754 -10.383 -5.141 577 HZ3 LYS 67 2HZ LYS 67 13.771 -11.353 -6.109 578 H TRP 68 H TRP 68 9.564 -5.360 -5.031 579 HA TRP 68 HA TRP 68 8.160 -5.691 -7.486 580 HB2 TRP 68 2HB TRP 68 7.454 -6.493 -5.126 581 HB3 TRP 68 3HB TRP 68 6.920 -4.849 -4.816 582 HD1 TRP 68 HD1 TRP 68 5.944 -8.045 -6.635 583 HE1 TRP 68 HE1 TRP 68 3.536 -7.844 -7.480 584 HE3 TRP 68 HE3 TRP 68 5.158 -3.049 -5.741 585 HZ2 TRP 68 HZ2 TRP 68 1.566 -5.846 -7.774 586 HZ3 TRP 68 HZ3 TRP 68 2.975 -2.076 -6.343 587 HH2 TRP 68 HH2 TRP 68 1.214 -3.450 -7.339 588 H ILE 69 H ILE 69 8.618 -2.938 -5.286 589 HA ILE 69 HA ILE 69 6.968 -1.098 -6.785 590 HB ILE 69 HB ILE 69 8.844 -0.793 -4.418 591 HG12 ILE 69 2HG1 ILE 69 6.692 0.242 -3.418 592 HG13 ILE 69 3HG1 ILE 69 5.872 -0.309 -4.873 593 HG21 ILE 69 1HG2 ILE 69 9.376 1.198 -5.705 594 HG22 ILE 69 2HG2 ILE 69 8.397 1.647 -4.307 595 HG23 ILE 69 3HG2 ILE 69 7.663 1.566 -5.909 596 HD11 ILE 69 3HD1 ILE 69 5.528 -1.838 -3.040 597 HD12 ILE 69 1HD1 ILE 69 7.269 -2.036 -2.840 598 HD13 ILE 69 2HD1 ILE 69 6.470 -2.623 -4.305 599 H ASP 70 H ASP 70 10.405 -1.859 -6.567 600 HA ASP 70 HA ASP 70 11.557 0.151 -8.116 601 HB2 ASP 70 2HB ASP 70 12.838 -1.516 -6.769 602 HB3 ASP 70 3HB ASP 70 12.408 -2.778 -7.912 603 H LYS 71 H LYS 71 10.081 -2.927 -9.140 604 HA LYS 71 HA LYS 71 10.758 -2.522 -11.901 605 HB2 LYS 71 2HB LYS 71 9.489 -4.538 -12.399 606 HB3 LYS 71 3HB LYS 71 10.557 -4.807 -11.027 607 HG2 LYS 71 2HG LYS 71 8.582 -4.522 -9.510 608 HG3 LYS 71 3HG LYS 71 7.546 -4.417 -10.934 609 HD2 LYS 71 2HD LYS 71 9.262 -6.806 -10.129 610 HD3 LYS 71 3HD LYS 71 7.512 -6.679 -9.957 611 HE2 LYS 71 2HE LYS 71 9.020 -6.679 -12.597 612 HE3 LYS 71 3HE LYS 71 8.140 -8.045 -11.909 613 HZ1 LYS 71 3HZ LYS 71 6.866 -6.843 -13.595 614 HZ2 LYS 71 1HZ LYS 71 6.899 -5.450 -12.643 615 HZ3 LYS 71 2HZ LYS 71 6.094 -6.827 -12.093 616 H ILE 72 H ILE 72 7.845 -1.866 -9.927 617 HA ILE 72 HA ILE 72 6.077 -1.232 -12.050 618 HB ILE 72 HB ILE 72 6.137 0.035 -9.260 619 HG12 ILE 72 2HG1 ILE 72 5.864 -2.438 -9.184 620 HG13 ILE 72 3HG1 ILE 72 4.429 -1.608 -8.611 621 HG21 ILE 72 1HG2 ILE 72 3.878 0.003 -11.307 622 HG22 ILE 72 2HG2 ILE 72 4.804 1.413 -10.788 623 HG23 ILE 72 3HG2 ILE 72 3.743 0.591 -9.646 624 HD11 ILE 72 3HD1 ILE 72 3.881 -3.543 -9.942 625 HD12 ILE 72 1HD1 ILE 72 4.769 -2.893 -11.319 626 HD13 ILE 72 2HD1 ILE 72 3.315 -2.073 -10.733 627 H LYS 73 H LYS 73 8.569 0.681 -10.415 628 HA LYS 73 HA LYS 73 7.897 3.195 -11.615 629 HB2 LYS 73 2HB LYS 73 10.435 2.290 -10.206 630 HB3 LYS 73 3HB LYS 73 10.101 3.955 -10.684 631 HG2 LYS 73 2HG LYS 73 8.133 4.002 -9.207 632 HG3 LYS 73 3HG LYS 73 8.435 2.329 -8.733 633 HD2 LYS 73 2HD LYS 73 10.258 4.707 -8.194 634 HD3 LYS 73 3HD LYS 73 9.237 3.884 -7.012 635 HE2 LYS 73 2HE LYS 73 10.558 1.805 -7.347 636 HE3 LYS 73 3HE LYS 73 11.598 2.665 -8.487 637 HZ1 LYS 73 3HZ LYS 73 12.711 2.705 -6.444 638 HZ2 LYS 73 1HZ LYS 73 11.324 3.113 -5.575 639 HZ3 LYS 73 2HZ LYS 73 12.048 4.249 -6.596 640 H LYS 74 H LYS 74 9.930 0.514 -12.669 641 HA LYS 74 HA LYS 74 11.332 2.176 -14.649 642 HB2 LYS 74 2HB LYS 74 12.740 0.298 -15.111 643 HB3 LYS 74 3HB LYS 74 12.555 0.379 -13.366 644 HG2 LYS 74 2HG LYS 74 10.858 -1.456 -13.516 645 HG3 LYS 74 3HG LYS 74 11.207 -1.591 -15.240 646 HD2 LYS 74 2HD LYS 74 13.138 -2.090 -12.938 647 HD3 LYS 74 3HD LYS 74 12.424 -3.305 -14.000 648 HE2 LYS 74 2HE LYS 74 14.408 -1.152 -14.826 649 HE3 LYS 74 3HE LYS 74 14.747 -2.871 -14.628 650 HZ1 LYS 74 3HZ LYS 74 13.196 -3.328 -16.436 651 HZ2 LYS 74 1HZ LYS 74 14.460 -2.328 -16.933 652 HZ3 LYS 74 2HZ LYS 74 12.929 -1.676 -16.645 653 H GLU 75 H GLU 75 8.910 -0.401 -14.524 654 HA GLU 75 HA GLU 75 8.520 -0.697 -17.357 655 HB2 GLU 75 2HB GLU 75 6.687 -1.424 -15.018 656 HB3 GLU 75 3HB GLU 75 6.442 -1.933 -16.689 657 HG2 GLU 75 2HG GLU 75 8.450 -3.295 -16.636 658 HG3 GLU 75 3HG GLU 75 8.878 -2.671 -15.039 659 H ARG 76 H ARG 76 7.040 1.164 -14.776 660 HA ARG 76 HA ARG 76 5.461 2.763 -16.713 661 HB2 ARG 76 2HB ARG 76 4.703 2.072 -13.829 662 HB3 ARG 76 3HB ARG 76 3.745 3.025 -14.958 663 HG2 ARG 76 2HG ARG 76 3.327 1.083 -16.351 664 HG3 ARG 76 3HG ARG 76 4.453 0.106 -15.406 665 HD2 ARG 76 2HD ARG 76 2.172 -0.459 -14.795 666 HD3 ARG 76 3HD ARG 76 2.960 0.338 -13.431 667 HE ARG 76 HE ARG 76 1.654 2.328 -14.843 668 HH11 ARG 76 1HH1 ARG 76 0.679 -0.579 -13.083 669 HH12 ARG 76 2HH1 ARG 76 -0.882 0.061 -12.670 670 HH21 ARG 76 1HH2 ARG 76 -0.401 3.121 -14.312 671 HH22 ARG 76 2HH2 ARG 76 -1.487 2.152 -13.367 672 HA PRO 77 HA PRO 77 8.387 5.629 -14.444 673 HB2 PRO 77 2HB PRO 77 9.596 6.802 -16.555 674 HB3 PRO 77 3HB PRO 77 10.046 5.158 -16.047 675 HG2 PRO 77 2HG PRO 77 8.225 5.996 -18.291 676 HG3 PRO 77 3HG PRO 77 9.526 4.781 -18.293 677 HD2 PRO 77 2HD PRO 77 6.857 4.142 -17.966 678 HD3 PRO 77 3HD PRO 77 8.191 3.155 -17.330 679 H GLN 78 H GLN 78 5.554 5.876 -16.018 680 HA GLN 78 HA GLN 78 5.257 8.722 -16.317 681 HB2 GLN 78 2HB GLN 78 3.126 6.527 -16.089 682 HB3 GLN 78 3HB GLN 78 2.800 8.210 -16.490 683 HG2 GLN 78 2HG GLN 78 2.748 7.032 -18.545 684 HG3 GLN 78 3HG GLN 78 4.281 7.906 -18.536 685 HE21 GLN 78 1HE2 GLN 78 5.352 6.534 -19.943 686 HE22 GLN 78 2HE2 GLN 78 5.721 4.887 -19.577 687 H LEU 79 H LEU 79 4.425 6.306 -13.853 688 HA LEU 79 HA LEU 79 3.744 8.461 -11.941 689 HB2 LEU 79 2HB LEU 79 2.444 6.631 -10.717 690 HB3 LEU 79 3HB LEU 79 1.786 7.212 -12.230 691 HG LEU 79 HG LEU 79 2.846 5.086 -13.311 692 HD11 LEU 79 1HD1 LEU 79 4.286 4.354 -11.487 693 HD12 LEU 79 2HD1 LEU 79 3.089 3.121 -11.865 694 HD13 LEU 79 3HD1 LEU 79 2.888 4.135 -10.433 695 HD21 LEU 79 3HD2 LEU 79 0.869 3.731 -12.769 696 HD22 LEU 79 1HD2 LEU 79 0.445 5.414 -13.085 697 HD23 LEU 79 2HD2 LEU 79 0.488 4.812 -11.426 698 H GLU 80 H GLU 80 4.833 8.616 -10.094 699 HA GLU 80 HA GLU 80 7.088 6.849 -9.501 700 HB2 GLU 80 2HB GLU 80 7.565 8.503 -7.666 701 HB3 GLU 80 3HB GLU 80 7.527 9.235 -9.265 702 HG2 GLU 80 2HG GLU 80 5.277 10.119 -8.836 703 HG3 GLU 80 3HG GLU 80 5.254 9.338 -7.258 704 H VAL 81 H VAL 81 7.278 5.834 -7.358 705 HA VAL 81 HA VAL 81 4.662 5.159 -6.128 706 HB VAL 81 HB VAL 81 6.840 3.079 -6.647 707 HG11 VAL 81 1HG1 VAL 81 3.921 2.761 -5.862 708 HG12 VAL 81 2HG1 VAL 81 5.313 2.569 -4.793 709 HG13 VAL 81 3HG1 VAL 81 5.071 1.448 -6.132 710 HG21 VAL 81 3HG2 VAL 81 4.364 3.523 -8.357 711 HG22 VAL 81 1HG2 VAL 81 5.496 2.177 -8.507 712 HG23 VAL 81 2HG2 VAL 81 6.031 3.824 -8.847 713 H ARG 82 H ARG 82 4.701 4.828 -3.955 714 HA ARG 82 HA ARG 82 7.267 5.025 -2.469 715 HB2 ARG 82 2HB ARG 82 6.049 7.149 -2.323 716 HB3 ARG 82 3HB ARG 82 4.575 6.314 -1.860 717 HG2 ARG 82 2HG ARG 82 5.563 7.388 0.075 718 HG3 ARG 82 3HG ARG 82 5.618 5.636 0.273 719 HD2 ARG 82 2HD ARG 82 8.010 5.650 -0.382 720 HD3 ARG 82 3HD ARG 82 7.948 7.407 -0.569 721 HE ARG 82 HE ARG 82 7.679 5.914 1.967 722 HH11 ARG 82 1HH1 ARG 82 8.372 8.945 0.305 723 HH12 ARG 82 2HH1 ARG 82 8.880 9.758 1.750 724 HH21 ARG 82 1HH2 ARG 82 8.326 6.996 3.851 725 HH22 ARG 82 2HH2 ARG 82 8.850 8.646 3.760 726 H LYS 83 H LYS 83 7.594 3.356 -1.111 727 HA LYS 83 HA LYS 83 5.538 1.421 -0.394 728 HB2 LYS 83 2HB LYS 83 8.370 1.635 0.729 729 HB3 LYS 83 3HB LYS 83 7.304 0.232 0.794 730 HG2 LYS 83 2HG LYS 83 7.485 0.063 -1.702 731 HG3 LYS 83 3HG LYS 83 8.659 1.384 -1.662 732 HD2 LYS 83 2HD LYS 83 8.947 -1.365 -0.392 733 HD3 LYS 83 3HD LYS 83 9.870 -0.719 -1.747 734 HE2 LYS 83 2HE LYS 83 10.913 0.930 -0.270 735 HE3 LYS 83 3HE LYS 83 9.947 0.359 1.090 736 HZ1 LYS 83 3HZ LYS 83 12.137 -0.582 1.216 737 HZ2 LYS 83 1HZ LYS 83 12.033 -1.176 -0.359 738 HZ3 LYS 83 2HZ LYS 83 11.050 -1.823 0.849 739 H VAL 84 H VAL 84 4.461 1.373 1.529 740 HA VAL 84 HA VAL 84 5.328 3.103 3.789 741 HB VAL 84 HB VAL 84 2.521 2.658 2.671 742 HG11 VAL 84 1HG1 VAL 84 2.369 2.456 5.109 743 HG12 VAL 84 2HG1 VAL 84 1.613 3.945 4.553 744 HG13 VAL 84 3HG1 VAL 84 3.206 3.998 5.308 745 HG21 VAL 84 3HG2 VAL 84 2.447 5.108 2.474 746 HG22 VAL 84 1HG2 VAL 84 3.814 4.445 1.574 747 HG23 VAL 84 2HG2 VAL 84 4.079 5.229 3.136 748 H THR 85 H THR 85 6.290 1.433 4.965 749 HA THR 85 HA THR 85 4.995 -1.151 5.273 750 HB THR 85 HB THR 85 7.005 -1.704 6.685 751 HG1 THR 85 HG1 THR 85 7.619 0.215 7.578 752 HG21 THR 85 3HG2 THR 85 7.680 -0.404 4.009 753 HG22 THR 85 1HG2 THR 85 7.099 -2.058 4.224 754 HG23 THR 85 2HG2 THR 85 8.676 -1.585 4.865 755 H ASP 86 H ASP 86 5.312 1.774 7.159 756 HA ASP 86 HA ASP 86 3.823 0.555 9.418 757 HB2 ASP 86 2HB ASP 86 5.964 2.725 9.448 758 HB3 ASP 86 3HB ASP 86 4.926 2.392 10.830 759 H GLU 87 H GLU 87 2.347 1.862 10.514 760 HA GLU 87 HA GLU 87 0.504 3.417 9.223 761 HB2 GLU 87 2HB GLU 87 0.143 2.460 11.442 762 HB3 GLU 87 3HB GLU 87 1.401 3.476 12.135 763 HG2 GLU 87 2HG GLU 87 -0.022 5.480 11.563 764 HG3 GLU 87 3HG GLU 87 -1.306 4.366 11.095 765 H ASP 88 H ASP 88 3.370 4.561 11.037 766 HA ASP 88 HA ASP 88 2.794 7.318 10.854 767 HB2 ASP 88 2HB ASP 88 4.372 6.405 12.538 768 HB3 ASP 88 3HB ASP 88 5.540 6.056 11.264 769 H GLN 89 H GLN 89 4.412 5.141 8.636 770 HA GLN 89 HA GLN 89 5.678 7.121 7.018 771 HB2 GLN 89 2HB GLN 89 4.814 4.298 6.257 772 HB3 GLN 89 3HB GLN 89 5.978 5.295 5.387 773 HG2 GLN 89 2HG GLN 89 6.299 4.137 8.172 774 HG3 GLN 89 3HG GLN 89 7.147 3.631 6.712 775 HE21 GLN 89 1HE2 GLN 89 8.838 4.905 5.936 776 HE22 GLN 89 2HE2 GLN 89 9.582 6.154 6.864 777 H ALA 90 H ALA 90 2.509 5.516 6.917 778 HA ALA 90 HA ALA 90 1.499 6.799 4.595 779 HB1 ALA 90 3HB ALA 90 0.410 4.811 5.529 780 HB2 ALA 90 1HB ALA 90 -0.735 6.146 5.406 781 HB3 ALA 90 2HB ALA 90 -0.040 5.715 6.971 782 H LYS 91 H LYS 91 1.626 7.744 8.006 783 HA LYS 91 HA LYS 91 -0.002 10.074 7.820 784 HB2 LYS 91 2HB LYS 91 2.168 9.262 9.801 785 HB3 LYS 91 3HB LYS 91 1.144 10.681 9.999 786 HG2 LYS 91 2HG LYS 91 -0.832 9.322 10.243 787 HG3 LYS 91 3HG LYS 91 0.046 7.866 9.777 788 HD2 LYS 91 2HD LYS 91 -0.340 7.901 12.197 789 HD3 LYS 91 3HD LYS 91 1.384 7.983 11.845 790 HE2 LYS 91 2HE LYS 91 -0.258 10.461 12.456 791 HE3 LYS 91 3HE LYS 91 0.495 9.492 13.718 792 HZ1 LYS 91 3HZ LYS 91 1.851 11.021 11.570 793 HZ2 LYS 91 1HZ LYS 91 2.654 9.871 12.523 794 HZ3 LYS 91 2HZ LYS 91 1.966 11.239 13.237 795 H GLN 92 H GLN 92 3.484 9.465 7.424 796 HA GLN 92 HA GLN 92 4.335 12.175 7.439 797 HB2 GLN 92 2HB GLN 92 5.703 9.715 6.261 798 HB3 GLN 92 3HB GLN 92 6.460 11.294 6.412 799 HG2 GLN 92 2HG GLN 92 5.614 9.456 8.664 800 HG3 GLN 92 3HG GLN 92 7.254 9.860 8.177 801 HE21 GLN 92 1HE2 GLN 92 4.444 10.917 9.910 802 HE22 GLN 92 2HE2 GLN 92 5.153 12.313 10.637 803 H ILE 93 H ILE 93 3.745 9.834 4.779 804 HA ILE 93 HA ILE 93 4.134 11.675 2.703 805 HB ILE 93 HB ILE 93 3.065 10.127 1.155 806 HG12 ILE 93 2HG1 ILE 93 2.303 8.460 3.593 807 HG13 ILE 93 3HG1 ILE 93 1.176 9.433 2.655 808 HG21 ILE 93 1HG2 ILE 93 5.390 9.706 1.809 809 HG22 ILE 93 2HG2 ILE 93 4.551 8.182 1.521 810 HG23 ILE 93 3HG2 ILE 93 4.854 8.720 3.174 811 HD11 ILE 93 3HD1 ILE 93 1.083 7.070 2.097 812 HD12 ILE 93 1HD1 ILE 93 2.761 7.116 1.566 813 HD13 ILE 93 2HD1 ILE 93 1.534 8.064 0.716 814 H LEU 94 H LEU 94 1.170 11.031 4.579 815 HA LEU 94 HA LEU 94 -0.635 12.555 3.062 816 HB2 LEU 94 2HB LEU 94 -0.415 12.078 6.051 817 HB3 LEU 94 3HB LEU 94 -1.652 13.160 5.431 818 HG LEU 94 HG LEU 94 -1.394 10.240 4.595 819 HD11 LEU 94 1HD1 LEU 94 -3.290 11.451 6.627 820 HD12 LEU 94 2HD1 LEU 94 -1.917 10.396 6.981 821 HD13 LEU 94 3HD1 LEU 94 -3.285 9.775 6.060 822 HD21 LEU 94 3HD2 LEU 94 -3.669 10.547 3.692 823 HD22 LEU 94 1HD2 LEU 94 -2.512 11.627 2.915 824 HD23 LEU 94 2HD2 LEU 94 -3.626 12.257 4.133 825 H GLU 95 H GLU 95 1.553 13.617 5.667 826 HA GLU 95 HA GLU 95 1.155 16.416 5.443 827 HB2 GLU 95 2HB GLU 95 3.561 14.875 6.530 828 HB3 GLU 95 3HB GLU 95 3.187 16.564 6.872 829 HG2 GLU 95 2HG GLU 95 1.206 15.954 8.112 830 HG3 GLU 95 3HG GLU 95 1.348 14.265 7.629 831 H ASP 96 H ASP 96 3.040 14.189 3.652 832 HA ASP 96 HA ASP 96 5.023 16.062 2.601 833 HB2 ASP 96 2HB ASP 96 5.629 13.707 3.049 834 HB3 ASP 96 3HB ASP 96 4.453 13.173 1.860 835 H LEU 97 H LEU 97 1.977 14.667 1.588 836 HA LEU 97 HA LEU 97 2.095 15.715 -1.117 837 HB2 LEU 97 2HB LEU 97 0.082 14.168 0.513 838 HB3 LEU 97 3HB LEU 97 -0.541 15.118 -0.823 839 HG LEU 97 HG LEU 97 0.812 13.845 -2.436 840 HD11 LEU 97 1HD1 LEU 97 2.137 11.908 -1.829 841 HD12 LEU 97 2HD1 LEU 97 1.830 12.207 -0.115 842 HD13 LEU 97 3HD1 LEU 97 2.778 13.361 -1.059 843 HD21 LEU 97 3HD2 LEU 97 -0.299 11.669 -2.256 844 HD22 LEU 97 1HD2 LEU 97 -1.407 12.986 -1.871 845 HD23 LEU 97 2HD2 LEU 97 -0.717 12.008 -0.573 846 H LYS 98 H LYS 98 1.347 16.985 2.011 847 HA LYS 98 HA LYS 98 -0.196 19.249 0.996 848 HB2 LYS 98 2HB LYS 98 1.020 19.048 3.780 849 HB3 LYS 98 3HB LYS 98 -0.344 20.031 3.261 850 HG2 LYS 98 2HG LYS 98 -0.261 17.045 3.711 851 HG3 LYS 98 3HG LYS 98 -1.188 18.239 4.610 852 HD2 LYS 98 2HD LYS 98 -1.675 17.488 1.697 853 HD3 LYS 98 3HD LYS 98 -2.564 16.827 3.067 854 HE2 LYS 98 2HE LYS 98 -3.405 19.077 3.616 855 HE3 LYS 98 3HE LYS 98 -2.504 19.751 2.255 856 HZ1 LYS 98 3HZ LYS 98 -3.825 18.338 0.766 857 HZ2 LYS 98 1HZ LYS 98 -4.801 19.400 1.650 858 HZ3 LYS 98 2HZ LYS 98 -4.716 17.774 2.083 859 H LYS 99 H LYS 99 3.057 18.587 2.285 860 HA LYS 99 HA LYS 99 4.225 21.148 1.846 861 HB2 LYS 99 2HB LYS 99 5.560 18.404 1.909 862 HB3 LYS 99 3HB LYS 99 6.433 19.932 1.934 863 HG2 LYS 99 2HG LYS 99 5.316 20.492 4.089 864 HG3 LYS 99 3HG LYS 99 4.543 18.908 4.081 865 HD2 LYS 99 2HD LYS 99 7.547 19.411 4.170 866 HD3 LYS 99 3HD LYS 99 6.542 19.001 5.557 867 HE2 LYS 99 2HE LYS 99 7.530 16.952 4.978 868 HE3 LYS 99 3HE LYS 99 5.941 16.847 4.223 869 HZ1 LYS 99 3HZ LYS 99 8.494 17.552 2.858 870 HZ2 LYS 99 1HZ LYS 99 6.985 17.484 2.098 871 HZ3 LYS 99 2HZ LYS 99 7.678 16.080 2.733 872 H LYS 100 H LYS 100 3.880 18.281 -0.107 873 HA LYS 100 HA LYS 100 4.288 17.655 -2.191 874 HB2 LYS 100 2HB LYS 100 3.081 18.930 -3.918 875 HB3 LYS 100 3HB LYS 100 2.157 18.657 -2.451 876 HG2 LYS 100 2HG LYS 100 2.725 21.044 -1.760 877 HG3 LYS 100 3HG LYS 100 3.411 21.258 -3.375 878 HD2 LYS 100 2HD LYS 100 1.140 22.128 -3.379 879 HD3 LYS 100 3HD LYS 100 1.184 20.666 -4.364 880 HE2 LYS 100 2HE LYS 100 0.229 19.376 -2.479 881 HE3 LYS 100 3HE LYS 100 0.192 20.841 -1.496 882 HZ1 LYS 100 3HZ LYS 100 -1.327 20.424 -4.021 883 HZ2 LYS 100 1HZ LYS 100 -1.382 21.812 -3.063 884 HZ3 LYS 100 2HZ LYS 100 -1.969 20.342 -2.460 885 H GLY 101 H GLY 101 5.174 21.144 -2.575 886 HA2 GLY 101 2HA GLY 101 7.080 20.680 -4.606 887 HA3 GLY 101 3HA GLY 101 6.894 22.146 -3.669 888 H SER 102 H SER 102 8.383 18.946 -3.692 889 HA SER 102 HA SER 102 10.315 19.448 -1.634 890 HB2 SER 102 2HB SER 102 10.376 17.395 -3.890 891 HB3 SER 102 3HB SER 102 11.300 17.331 -2.382 892 HG SER 102 HG SER 102 9.202 17.322 -1.306 893 H LEU 103 H LEU 103 9.984 20.450 -4.879 894 HA LEU 103 HA LEU 103 11.149 21.715 -6.316 895 HB2 LEU 103 2HB LEU 103 12.963 22.277 -3.948 896 HB3 LEU 103 3HB LEU 103 12.963 23.188 -5.452 897 HG LEU 103 HG LEU 103 10.633 23.037 -3.488 898 HD11 LEU 103 1HD1 LEU 103 12.551 25.328 -4.005 899 HD12 LEU 103 2HD1 LEU 103 12.509 24.304 -2.566 900 HD13 LEU 103 3HD1 LEU 103 11.145 25.353 -2.933 901 HD21 LEU 103 3HD2 LEU 103 9.596 24.803 -4.843 902 HD22 LEU 103 1HD2 LEU 103 9.826 23.329 -5.781 903 HD23 LEU 103 2HD2 LEU 103 10.911 24.703 -6.017 904 H GLU 104 H GLU 104 11.862 18.862 -5.803 905 HA GLU 104 HA GLU 104 14.476 18.785 -7.190 906 HB2 GLU 104 2HB GLU 104 14.700 18.057 -4.803 907 HB3 GLU 104 3HB GLU 104 13.522 16.779 -5.086 908 HG2 GLU 104 2HG GLU 104 15.055 15.750 -6.746 909 HG3 GLU 104 3HG GLU 104 16.232 17.029 -6.446 910 H HIS 105 H HIS 105 13.262 18.811 -9.104 911 HA HIS 105 HA HIS 105 12.881 16.102 -10.106 912 HB2 HIS 105 2HB HIS 105 10.541 17.008 -9.568 913 HB3 HIS 105 3HB HIS 105 10.811 18.266 -10.773 914 HD1 HIS 105 HD1 HIS 105 10.941 17.482 -13.271 915 HD2 HIS 105 HD2 HIS 105 9.891 14.482 -10.599 916 HE1 HIS 105 HE1 HIS 105 10.081 15.601 -14.680 917 HE2 HIS 105 HE2 HIS 105 9.338 13.854 -13.034 918 H HIS 106 H HIS 106 12.696 19.568 -10.919 919 HA HIS 106 HA HIS 106 14.959 19.219 -12.800 920 HB2 HIS 106 2HB HIS 106 14.264 21.429 -13.769 921 HB3 HIS 106 3HB HIS 106 13.052 20.177 -13.988 922 HD1 HIS 106 HD1 HIS 106 10.952 20.345 -12.232 923 HD2 HIS 106 HD2 HIS 106 13.287 23.752 -12.690 924 HE1 HIS 106 HE1 HIS 106 9.587 22.234 -11.305 925 HE2 HIS 106 HE2 HIS 106 11.005 24.282 -11.630 926 H HIS 107 H HIS 107 16.584 19.252 -11.216 927 HA HIS 107 HA HIS 107 16.570 20.993 -8.960 928 HB2 HIS 107 2HB HIS 107 17.818 18.868 -8.931 929 HB3 HIS 107 3HB HIS 107 18.911 19.466 -10.176 930 HD1 HIS 107 HD1 HIS 107 20.833 20.949 -9.434 931 HD2 HIS 107 HD2 HIS 107 18.166 20.120 -6.355 932 HE1 HIS 107 HE1 HIS 107 21.896 21.864 -7.353 933 HE2 HIS 107 HE2 HIS 107 20.171 21.535 -5.556 934 H HIS 108 H HIS 108 17.614 21.445 -12.248 935 HA HIS 108 HA HIS 108 19.089 23.862 -11.861 936 HB2 HIS 108 2HB HIS 108 17.694 22.653 -14.277 937 HB3 HIS 108 3HB HIS 108 18.432 24.250 -14.354 938 HD1 HIS 108 HD1 HIS 108 19.250 20.888 -15.141 939 HD2 HIS 108 HD2 HIS 108 21.309 24.033 -13.363 940 HE1 HIS 108 HE1 HIS 108 21.691 20.318 -15.363 941 HE2 HIS 108 HE2 HIS 108 22.899 22.180 -14.179 942 H HIS 109 H HIS 109 17.785 24.797 -10.261 943 HA HIS 109 HA HIS 109 16.130 26.910 -11.407 944 HB2 HIS 109 2HB HIS 109 14.426 26.785 -9.637 945 HB3 HIS 109 3HB HIS 109 14.484 25.240 -10.468 946 HD1 HIS 109 HD1 HIS 109 14.809 26.786 -7.149 947 HD2 HIS 109 HD2 HIS 109 15.686 23.114 -8.883 948 HE1 HIS 109 HE1 HIS 109 15.161 25.202 -5.236 949 HE2 HIS 109 HE2 HIS 109 15.923 23.068 -6.321 950 H HIS 110 H HIS 110 18.852 26.461 -10.577 951 HA HIS 110 HA HIS 110 19.319 28.587 -8.658 952 HB2 HIS 110 2HB HIS 110 19.120 26.617 -7.163 953 HB3 HIS 110 3HB HIS 110 20.249 25.703 -8.155 954 HD1 HIS 110 HD1 HIS 110 20.099 28.175 -5.395 955 HD2 HIS 110 HD2 HIS 110 23.001 26.528 -7.874 956 HE1 HIS 110 HE1 HIS 110 22.302 28.720 -4.323 957 HE2 HIS 110 HE2 HIS 110 24.023 27.571 -5.753 Start of MODEL 14 1 H1 MET 1 1H MET 1 -2.998 9.137 -17.084 2 H2 MET 1 2H MET 1 -2.273 10.167 -18.208 3 H3 MET 1 3H MET 1 -3.914 10.329 -17.851 4 HA MET 1 HA MET 1 -2.585 12.045 -16.801 5 HB2 MET 1 2HB MET 1 -4.696 11.329 -15.717 6 HB3 MET 1 3HB MET 1 -3.856 10.025 -14.893 7 HG2 MET 1 2HG MET 1 -2.647 11.597 -13.511 8 HG3 MET 1 3HG MET 1 -3.282 12.962 -14.429 9 HE1 MET 1 3HE MET 1 -5.798 10.341 -11.556 10 HE2 MET 1 1HE MET 1 -4.056 10.172 -11.769 11 HE3 MET 1 2HE MET 1 -5.157 9.689 -13.064 12 H GLY 2 H GLY 2 -0.531 12.496 -16.118 13 HA2 GLY 2 2HA GLY 2 1.433 10.598 -15.313 14 HA3 GLY 2 3HA GLY 2 1.521 12.345 -15.103 15 H SER 3 H SER 3 0.475 9.355 -13.688 16 HA SER 3 HA SER 3 -0.760 10.542 -11.345 17 HB2 SER 3 2HB SER 3 -0.274 7.619 -12.085 18 HB3 SER 3 3HB SER 3 -1.297 8.190 -10.762 19 HG SER 3 HG SER 3 -1.755 9.116 -13.377 20 H LYS 4 H LYS 4 -0.055 10.273 -9.204 21 HA LYS 4 HA LYS 4 2.575 8.986 -8.697 22 HB2 LYS 4 2HB LYS 4 2.314 11.223 -7.682 23 HB3 LYS 4 3HB LYS 4 0.813 10.734 -6.892 24 HG2 LYS 4 2HG LYS 4 2.149 9.058 -5.556 25 HG3 LYS 4 3HG LYS 4 3.615 9.698 -6.287 26 HD2 LYS 4 2HD LYS 4 1.737 11.053 -4.335 27 HD3 LYS 4 3HD LYS 4 3.460 10.715 -4.149 28 HE2 LYS 4 2HE LYS 4 2.226 12.787 -6.003 29 HE3 LYS 4 3HE LYS 4 3.106 13.104 -4.510 30 HZ1 LYS 4 3HZ LYS 4 4.461 13.446 -6.494 31 HZ2 LYS 4 1HZ LYS 4 4.264 11.828 -6.922 32 HZ3 LYS 4 2HZ LYS 4 5.098 12.228 -5.510 33 H ILE 5 H ILE 5 2.577 7.175 -7.194 34 HA ILE 5 HA ILE 5 -0.054 6.332 -6.157 35 HB ILE 5 HB ILE 5 0.387 3.966 -6.525 36 HG12 ILE 5 2HG1 ILE 5 2.908 4.723 -8.077 37 HG13 ILE 5 3HG1 ILE 5 2.907 4.071 -6.441 38 HG21 ILE 5 1HG2 ILE 5 -0.844 5.140 -8.300 39 HG22 ILE 5 2HG2 ILE 5 0.112 3.821 -8.975 40 HG23 ILE 5 3HG2 ILE 5 0.669 5.487 -9.144 41 HD11 ILE 5 3HD1 ILE 5 1.833 2.024 -7.278 42 HD12 ILE 5 1HD1 ILE 5 3.401 2.339 -8.019 43 HD13 ILE 5 2HD1 ILE 5 1.924 2.672 -8.920 44 H ILE 6 H ILE 6 -0.014 5.330 -4.205 45 HA ILE 6 HA ILE 6 2.547 5.347 -2.709 46 HB ILE 6 HB ILE 6 -0.273 5.733 -1.602 47 HG12 ILE 6 2HG1 ILE 6 0.501 7.765 -2.791 48 HG13 ILE 6 3HG1 ILE 6 0.387 8.047 -1.067 49 HG21 ILE 6 1HG2 ILE 6 0.850 6.168 0.558 50 HG22 ILE 6 2HG2 ILE 6 2.408 5.778 -0.175 51 HG23 ILE 6 3HG2 ILE 6 1.164 4.533 -0.028 52 HD11 ILE 6 3HD1 ILE 6 2.309 9.142 -2.032 53 HD12 ILE 6 1HD1 ILE 6 2.925 7.602 -2.627 54 HD13 ILE 6 2HD1 ILE 6 2.823 7.901 -0.889 55 H VAL 7 H VAL 7 3.157 3.429 -2.025 56 HA VAL 7 HA VAL 7 1.321 1.118 -2.093 57 HB VAL 7 HB VAL 7 4.373 1.177 -2.294 58 HG11 VAL 7 1HG1 VAL 7 3.667 -0.803 -1.013 59 HG12 VAL 7 2HG1 VAL 7 4.232 -1.281 -2.613 60 HG13 VAL 7 3HG1 VAL 7 2.502 -1.226 -2.274 61 HG21 VAL 7 3HG2 VAL 7 4.013 0.289 -4.577 62 HG22 VAL 7 1HG2 VAL 7 3.220 1.854 -4.378 63 HG23 VAL 7 2HG2 VAL 7 2.265 0.370 -4.342 64 H ILE 8 H ILE 8 0.602 0.558 -0.147 65 HA ILE 8 HA ILE 8 2.127 1.336 2.270 66 HB ILE 8 HB ILE 8 -0.868 0.811 1.948 67 HG12 ILE 8 2HG1 ILE 8 0.719 3.353 2.542 68 HG13 ILE 8 3HG1 ILE 8 -0.147 3.001 1.054 69 HG21 ILE 8 1HG2 ILE 8 0.678 1.531 4.469 70 HG22 ILE 8 2HG2 ILE 8 -0.099 -0.021 4.143 71 HG23 ILE 8 3HG2 ILE 8 -1.079 1.431 4.341 72 HD11 ILE 8 3HD1 ILE 8 -2.262 3.101 2.284 73 HD12 ILE 8 1HD1 ILE 8 -1.338 4.596 2.394 74 HD13 ILE 8 2HD1 ILE 8 -1.377 3.487 3.764 75 H ILE 9 H ILE 9 2.997 -0.205 3.354 76 HA ILE 9 HA ILE 9 2.677 -3.019 2.648 77 HB ILE 9 HB ILE 9 4.763 -1.576 4.374 78 HG12 ILE 9 2HG1 ILE 9 6.371 -2.415 2.540 79 HG13 ILE 9 3HG1 ILE 9 4.955 -2.831 1.590 80 HG21 ILE 9 1HG2 ILE 9 4.366 -3.820 5.295 81 HG22 ILE 9 2HG2 ILE 9 5.957 -3.739 4.539 82 HG23 ILE 9 3HG2 ILE 9 4.626 -4.539 3.703 83 HD11 ILE 9 3HD1 ILE 9 5.965 -0.729 0.889 84 HD12 ILE 9 1HD1 ILE 9 5.717 -0.057 2.501 85 HD13 ILE 9 2HD1 ILE 9 4.329 -0.474 1.495 86 H SER 10 H SER 10 0.755 -3.596 3.636 87 HA SER 10 HA SER 10 0.105 -2.556 6.260 88 HB2 SER 10 2HB SER 10 -1.559 -2.557 4.362 89 HB3 SER 10 3HB SER 10 -1.644 -4.315 4.522 90 HG SER 10 HG SER 10 -2.172 -3.905 6.781 91 H SER 11 H SER 11 0.923 -3.581 7.909 92 HA SER 11 HA SER 11 1.312 -6.436 8.141 93 HB2 SER 11 2HB SER 11 2.145 -5.767 10.399 94 HB3 SER 11 3HB SER 11 2.850 -4.743 9.143 95 HG SER 11 HG SER 11 2.145 -3.340 10.673 96 H ASP 12 H ASP 12 0.393 -6.311 11.077 97 HA ASP 12 HA ASP 12 -2.347 -7.131 10.729 98 HB2 ASP 12 2HB ASP 12 -0.816 -8.242 12.371 99 HB3 ASP 12 3HB ASP 12 -0.737 -6.750 13.302 100 H ASP 13 H ASP 13 -0.710 -4.180 11.596 101 HA ASP 13 HA ASP 13 -2.715 -2.866 13.080 102 HB2 ASP 13 2HB ASP 13 -0.449 -2.028 13.113 103 HB3 ASP 13 3HB ASP 13 -0.430 -1.802 11.367 104 H THR 14 H THR 14 -4.567 -1.850 12.500 105 HA THR 14 HA THR 14 -5.417 -1.958 9.704 106 HB THR 14 HB THR 14 -6.934 -2.847 11.432 107 HG1 THR 14 HG1 THR 14 -7.739 -0.711 9.782 108 HG21 THR 14 3HG2 THR 14 -6.429 -1.347 13.298 109 HG22 THR 14 1HG2 THR 14 -8.161 -1.340 12.952 110 HG23 THR 14 2HG2 THR 14 -7.149 0.008 12.425 111 H THR 15 H THR 15 -4.235 0.479 11.916 112 HA THR 15 HA THR 15 -5.506 2.780 10.985 113 HB THR 15 HB THR 15 -2.556 2.701 11.773 114 HG1 THR 15 HG1 THR 15 -3.119 2.015 13.662 115 HG21 THR 15 3HG2 THR 15 -3.424 4.922 11.092 116 HG22 THR 15 1HG2 THR 15 -3.025 4.884 12.812 117 HG23 THR 15 2HG2 THR 15 -4.707 4.789 12.296 118 H LEU 16 H LEU 16 -2.921 0.923 9.549 119 HA LEU 16 HA LEU 16 -1.881 2.604 7.556 120 HB2 LEU 16 2HB LEU 16 -2.347 -0.403 7.574 121 HB3 LEU 16 3HB LEU 16 -1.360 0.415 6.373 122 HG LEU 16 HG LEU 16 -0.660 0.752 9.298 123 HD11 LEU 16 1HD1 LEU 16 -0.974 -1.688 8.942 124 HD12 LEU 16 2HD1 LEU 16 0.679 -1.226 9.350 125 HD13 LEU 16 3HD1 LEU 16 0.266 -1.627 7.684 126 HD21 LEU 16 3HD2 LEU 16 0.520 2.122 7.655 127 HD22 LEU 16 1HD2 LEU 16 1.023 0.675 6.774 128 HD23 LEU 16 2HD2 LEU 16 1.617 0.969 8.411 129 H GLU 17 H GLU 17 -4.513 0.213 7.311 130 HA GLU 17 HA GLU 17 -5.172 0.802 4.571 131 HB2 GLU 17 2HB GLU 17 -7.022 -0.882 4.970 132 HB3 GLU 17 3HB GLU 17 -5.403 -1.478 5.310 133 HG2 GLU 17 2HG GLU 17 -5.741 -1.233 7.684 134 HG3 GLU 17 3HG GLU 17 -7.288 -0.459 7.440 135 H GLU 18 H GLU 18 -6.355 1.876 7.681 136 HA GLU 18 HA GLU 18 -8.823 3.045 6.815 137 HB2 GLU 18 2HB GLU 18 -7.053 3.741 9.207 138 HB3 GLU 18 3HB GLU 18 -8.678 4.370 8.954 139 HG2 GLU 18 2HG GLU 18 -9.598 2.090 9.137 140 HG3 GLU 18 3HG GLU 18 -7.983 1.439 9.358 141 H LEU 19 H LEU 19 -5.581 4.404 7.431 142 HA LEU 19 HA LEU 19 -6.084 7.040 6.558 143 HB2 LEU 19 2HB LEU 19 -3.512 5.434 6.835 144 HB3 LEU 19 3HB LEU 19 -3.514 7.130 6.376 145 HG LEU 19 HG LEU 19 -4.730 6.143 8.991 146 HD11 LEU 19 1HD1 LEU 19 -2.349 5.569 8.972 147 HD12 LEU 19 2HD1 LEU 19 -2.682 6.864 10.117 148 HD13 LEU 19 3HD1 LEU 19 -1.932 7.236 8.560 149 HD21 LEU 19 3HD2 LEU 19 -5.562 8.326 8.265 150 HD22 LEU 19 1HD2 LEU 19 -3.908 8.925 8.088 151 HD23 LEU 19 2HD2 LEU 19 -4.530 8.495 9.683 152 H ALA 20 H ALA 20 -5.185 4.111 4.856 153 HA ALA 20 HA ALA 20 -3.946 4.881 2.561 154 HB1 ALA 20 3HB ALA 20 -4.386 2.532 3.209 155 HB2 ALA 20 1HB ALA 20 -4.813 2.833 1.521 156 HB3 ALA 20 2HB ALA 20 -6.079 2.728 2.749 157 H ARG 21 H ARG 21 -7.428 5.083 3.173 158 HA ARG 21 HA ARG 21 -8.158 5.808 0.512 159 HB2 ARG 21 2HB ARG 21 -9.713 4.743 2.145 160 HB3 ARG 21 3HB ARG 21 -9.708 6.222 3.098 161 HG2 ARG 21 2HG ARG 21 -10.742 7.455 1.240 162 HG3 ARG 21 3HG ARG 21 -10.679 6.013 0.226 163 HD2 ARG 21 2HD ARG 21 -12.267 4.868 1.680 164 HD3 ARG 21 3HD ARG 21 -12.253 6.226 2.816 165 HE ARG 21 HE ARG 21 -13.020 7.440 0.551 166 HH11 ARG 21 1HH1 ARG 21 -14.263 4.493 2.053 167 HH12 ARG 21 2HH1 ARG 21 -15.865 4.732 1.430 168 HH21 ARG 21 1HH2 ARG 21 -15.102 7.738 -0.220 169 HH22 ARG 21 2HH2 ARG 21 -16.347 6.576 0.138 170 H LYS 22 H LYS 22 -7.488 7.676 3.474 171 HA LYS 22 HA LYS 22 -8.247 10.229 2.576 172 HB2 LYS 22 2HB LYS 22 -6.131 9.457 4.632 173 HB3 LYS 22 3HB LYS 22 -6.582 11.124 4.304 174 HG2 LYS 22 2HG LYS 22 -7.774 10.536 6.249 175 HG3 LYS 22 3HG LYS 22 -8.970 10.479 4.951 176 HD2 LYS 22 2HD LYS 22 -8.651 7.979 4.861 177 HD3 LYS 22 3HD LYS 22 -7.569 8.108 6.249 178 HE2 LYS 22 2HE LYS 22 -9.462 9.092 7.561 179 HE3 LYS 22 3HE LYS 22 -10.522 8.803 6.181 180 HZ1 LYS 22 3HZ LYS 22 -9.965 6.425 6.367 181 HZ2 LYS 22 1HZ LYS 22 -10.740 7.032 7.748 182 HZ3 LYS 22 2HZ LYS 22 -9.073 6.757 7.761 183 H ILE 23 H ILE 23 -5.177 8.457 2.225 184 HA ILE 23 HA ILE 23 -3.668 10.442 0.958 185 HB ILE 23 HB ILE 23 -3.565 7.410 0.761 186 HG12 ILE 23 2HG1 ILE 23 -1.255 7.799 1.816 187 HG13 ILE 23 3HG1 ILE 23 -1.715 9.476 2.042 188 HG21 ILE 23 1HG2 ILE 23 -1.465 7.579 -0.538 189 HG22 ILE 23 2HG2 ILE 23 -1.693 9.322 -0.679 190 HG23 ILE 23 3HG2 ILE 23 -2.841 8.219 -1.438 191 HD11 ILE 23 3HD1 ILE 23 -1.925 8.213 4.078 192 HD12 ILE 23 1HD1 ILE 23 -3.010 7.066 3.292 193 HD13 ILE 23 2HD1 ILE 23 -3.519 8.738 3.532 194 H LYS 24 H LYS 24 -5.754 7.893 -0.589 195 HA LYS 24 HA LYS 24 -5.131 8.814 -3.208 196 HB2 LYS 24 2HB LYS 24 -6.720 7.230 -4.074 197 HB3 LYS 24 3HB LYS 24 -5.723 6.496 -2.835 198 HG2 LYS 24 2HG LYS 24 -7.491 6.241 -1.340 199 HG3 LYS 24 3HG LYS 24 -8.443 7.539 -2.070 200 HD2 LYS 24 2HD LYS 24 -9.362 5.248 -2.527 201 HD3 LYS 24 3HD LYS 24 -8.990 6.167 -3.984 202 HE2 LYS 24 2HE LYS 24 -6.800 4.890 -4.117 203 HE3 LYS 24 3HE LYS 24 -7.379 3.885 -2.789 204 HZ1 LYS 24 3HZ LYS 24 -7.807 2.841 -4.903 205 HZ2 LYS 24 1HZ LYS 24 -8.674 4.189 -5.444 206 HZ3 LYS 24 2HZ LYS 24 -9.275 3.256 -4.171 207 H ASP 25 H ASP 25 -7.529 9.880 -0.966 208 HA ASP 25 HA ASP 25 -9.276 11.185 -2.784 209 HB2 ASP 25 2HB ASP 25 -8.656 11.614 0.149 210 HB3 ASP 25 3HB ASP 25 -9.750 12.702 -0.700 211 H GLU 26 H GLU 26 -6.006 11.933 -2.025 212 HA GLU 26 HA GLU 26 -6.050 14.710 -2.778 213 HB2 GLU 26 2HB GLU 26 -3.790 12.673 -2.698 214 HB3 GLU 26 3HB GLU 26 -3.538 14.366 -3.091 215 HG2 GLU 26 2HG GLU 26 -4.578 13.276 -0.462 216 HG3 GLU 26 3HG GLU 26 -2.953 13.886 -0.760 217 H GLY 27 H GLY 27 -6.325 11.791 -4.570 218 HA2 GLY 27 2HA GLY 27 -7.280 12.017 -6.793 219 HA3 GLY 27 3HA GLY 27 -6.164 13.335 -7.113 220 H LEU 28 H LEU 28 -5.108 10.422 -5.493 221 HA LEU 28 HA LEU 28 -3.801 9.432 -7.963 222 HB2 LEU 28 2HB LEU 28 -1.775 8.920 -6.775 223 HB3 LEU 28 3HB LEU 28 -2.122 10.622 -6.574 224 HG LEU 28 HG LEU 28 -2.737 8.557 -4.412 225 HD11 LEU 28 1HD1 LEU 28 -0.254 10.280 -4.672 226 HD12 LEU 28 2HD1 LEU 28 -0.321 8.526 -4.868 227 HD13 LEU 28 3HD1 LEU 28 -0.672 9.251 -3.300 228 HD21 LEU 28 3HD2 LEU 28 -2.450 11.575 -4.283 229 HD22 LEU 28 1HD2 LEU 28 -2.770 10.497 -2.921 230 HD23 LEU 28 2HD2 LEU 28 -3.964 10.671 -4.200 231 H GLU 29 H GLU 29 -2.909 7.069 -7.499 232 HA GLU 29 HA GLU 29 -5.083 5.535 -6.221 233 HB2 GLU 29 2HB GLU 29 -4.485 5.076 -8.603 234 HB3 GLU 29 3HB GLU 29 -2.863 4.614 -8.101 235 HG2 GLU 29 2HG GLU 29 -4.342 2.662 -8.574 236 HG3 GLU 29 3HG GLU 29 -3.717 2.669 -6.925 237 H VAL 30 H VAL 30 -4.649 3.827 -4.763 238 HA VAL 30 HA VAL 30 -1.973 3.760 -3.498 239 HB VAL 30 HB VAL 30 -4.693 3.423 -2.134 240 HG11 VAL 30 1HG1 VAL 30 -3.055 1.855 -1.151 241 HG12 VAL 30 2HG1 VAL 30 -3.433 3.153 -0.017 242 HG13 VAL 30 3HG1 VAL 30 -1.912 3.180 -0.914 243 HG21 VAL 30 3HG2 VAL 30 -4.045 5.438 -0.858 244 HG22 VAL 30 1HG2 VAL 30 -4.092 5.772 -2.591 245 HG23 VAL 30 2HG2 VAL 30 -2.542 5.544 -1.778 246 H TYR 31 H TYR 31 -1.015 1.875 -3.607 247 HA TYR 31 HA TYR 31 -2.486 -0.616 -4.240 248 HB2 TYR 31 2HB TYR 31 0.454 0.144 -4.614 249 HB3 TYR 31 3HB TYR 31 -0.160 -1.491 -4.835 250 HD1 TYR 31 HD2 TYR 31 -0.839 2.012 -6.096 251 HD2 TYR 31 HD1 TYR 31 -0.675 -2.155 -7.055 252 HE1 TYR 31 HE2 TYR 31 -1.297 2.525 -8.455 253 HE2 TYR 31 HE1 TYR 31 -1.134 -1.623 -9.415 254 HH TYR 31 HH TYR 31 -2.274 0.297 -10.675 255 H ILE 32 H ILE 32 -2.607 -2.088 -2.564 256 HA ILE 32 HA ILE 32 -0.982 -1.539 -0.129 257 HB ILE 32 HB ILE 32 -3.448 -3.323 -0.401 258 HG12 ILE 32 2HG1 ILE 32 -4.028 -0.896 -0.718 259 HG13 ILE 32 3HG1 ILE 32 -4.753 -1.589 0.724 260 HG21 ILE 32 1HG2 ILE 32 -1.937 -2.400 2.075 261 HG22 ILE 32 2HG2 ILE 32 -1.989 -4.043 1.427 262 HG23 ILE 32 3HG2 ILE 32 -3.450 -3.309 2.085 263 HD11 ILE 32 3HD1 ILE 32 -3.076 -0.486 2.113 264 HD12 ILE 32 1HD1 ILE 32 -3.955 0.666 1.108 265 HD13 ILE 32 2HD1 ILE 32 -2.317 0.189 0.667 266 H LEU 33 H LEU 33 0.732 -2.914 0.274 267 HA LEU 33 HA LEU 33 0.707 -5.617 -0.904 268 HB2 LEU 33 2HB LEU 33 2.957 -4.005 0.356 269 HB3 LEU 33 3HB LEU 33 3.114 -5.703 -0.081 270 HG LEU 33 HG LEU 33 2.654 -3.368 -1.973 271 HD11 LEU 33 1HD1 LEU 33 4.977 -3.659 -1.266 272 HD12 LEU 33 2HD1 LEU 33 4.779 -4.047 -2.972 273 HD13 LEU 33 3HD1 LEU 33 4.943 -5.346 -1.787 274 HD21 LEU 33 3HD2 LEU 33 2.611 -6.330 -2.640 275 HD22 LEU 33 1HD2 LEU 33 2.614 -5.012 -3.811 276 HD23 LEU 33 2HD2 LEU 33 1.246 -5.212 -2.727 277 H LEU 34 H LEU 34 -0.275 -7.030 0.256 278 HA LEU 34 HA LEU 34 -0.622 -6.669 3.126 279 HB2 LEU 34 2HB LEU 34 -2.300 -7.566 1.096 280 HB3 LEU 34 3HB LEU 34 -1.794 -9.081 1.806 281 HG LEU 34 HG LEU 34 -3.926 -8.298 2.759 282 HD11 LEU 34 1HD1 LEU 34 -2.478 -9.644 4.217 283 HD12 LEU 34 2HD1 LEU 34 -3.428 -8.489 5.144 284 HD13 LEU 34 3HD1 LEU 34 -1.715 -8.178 4.840 285 HD21 LEU 34 3HD2 LEU 34 -3.601 -5.884 2.455 286 HD22 LEU 34 1HD2 LEU 34 -2.382 -5.867 3.733 287 HD23 LEU 34 2HD2 LEU 34 -4.061 -6.253 4.113 288 H LYS 35 H LYS 35 0.566 -7.717 4.608 289 HA LYS 35 HA LYS 35 1.869 -10.292 3.953 290 HB2 LYS 35 2HB LYS 35 3.811 -9.614 5.412 291 HB3 LYS 35 3HB LYS 35 3.681 -8.694 3.921 292 HG2 LYS 35 2HG LYS 35 2.921 -6.733 5.074 293 HG3 LYS 35 3HG LYS 35 2.653 -7.631 6.571 294 HD2 LYS 35 2HD LYS 35 4.727 -6.216 6.622 295 HD3 LYS 35 3HD LYS 35 5.045 -7.928 6.904 296 HE2 LYS 35 2HE LYS 35 5.925 -8.207 4.677 297 HE3 LYS 35 3HE LYS 35 5.378 -6.603 4.190 298 HZ1 LYS 35 3HZ LYS 35 7.492 -7.189 6.199 299 HZ2 LYS 35 1HZ LYS 35 6.956 -5.646 5.766 300 HZ3 LYS 35 2HZ LYS 35 7.745 -6.612 4.628 301 H ASP 36 H ASP 36 1.097 -11.820 5.243 302 HA ASP 36 HA ASP 36 0.590 -11.300 8.100 303 HB2 ASP 36 2HB ASP 36 -1.597 -11.310 6.806 304 HB3 ASP 36 3HB ASP 36 -1.249 -12.963 6.313 305 H LYS 37 H LYS 37 0.545 -13.449 9.335 306 HA LYS 37 HA LYS 37 2.876 -14.993 8.660 307 HB2 LYS 37 2HB LYS 37 0.897 -15.111 10.947 308 HB3 LYS 37 3HB LYS 37 2.016 -16.440 10.710 309 HG2 LYS 37 2HG LYS 37 3.179 -15.212 12.258 310 HG3 LYS 37 3HG LYS 37 3.853 -14.518 10.790 311 HD2 LYS 37 2HD LYS 37 1.486 -13.247 12.201 312 HD3 LYS 37 3HD LYS 37 3.130 -12.932 12.736 313 HE2 LYS 37 2HE LYS 37 3.685 -11.910 10.615 314 HE3 LYS 37 3HE LYS 37 2.132 -12.386 9.929 315 HZ1 LYS 37 3HZ LYS 37 1.045 -10.949 11.580 316 HZ2 LYS 37 1HZ LYS 37 2.085 -10.091 10.562 317 HZ3 LYS 37 2HZ LYS 37 2.559 -10.453 12.141 318 H ASP 38 H ASP 38 -0.466 -15.303 7.974 319 HA ASP 38 HA ASP 38 -0.063 -17.991 6.783 320 HB2 ASP 38 2HB ASP 38 -1.504 -18.086 8.830 321 HB3 ASP 38 3HB ASP 38 -2.597 -16.909 8.115 322 H GLU 39 H GLU 39 -0.254 -17.873 4.676 323 HA GLU 39 HA GLU 39 -0.783 -15.654 3.141 324 HB2 GLU 39 2HB GLU 39 -0.794 -18.594 2.382 325 HB3 GLU 39 3HB GLU 39 -1.046 -17.332 1.179 326 HG2 GLU 39 2HG GLU 39 1.277 -18.065 1.175 327 HG3 GLU 39 3HG GLU 39 1.152 -16.383 1.666 328 H LYS 40 H LYS 40 -3.183 -17.988 4.273 329 HA LYS 40 HA LYS 40 -5.174 -17.127 2.333 330 HB2 LYS 40 2HB LYS 40 -5.411 -19.018 4.699 331 HB3 LYS 40 3HB LYS 40 -6.718 -18.677 3.575 332 HG2 LYS 40 2HG LYS 40 -4.072 -19.994 2.863 333 HG3 LYS 40 3HG LYS 40 -5.602 -20.828 3.103 334 HD2 LYS 40 2HD LYS 40 -5.536 -20.711 0.777 335 HD3 LYS 40 3HD LYS 40 -6.451 -19.250 1.139 336 HE2 LYS 40 2HE LYS 40 -4.336 -17.932 0.916 337 HE3 LYS 40 3HE LYS 40 -3.489 -19.414 0.478 338 HZ1 LYS 40 3HZ LYS 40 -4.146 -18.085 -1.441 339 HZ2 LYS 40 1HZ LYS 40 -5.774 -18.252 -1.018 340 HZ3 LYS 40 2HZ LYS 40 -4.869 -19.610 -1.461 341 H ARG 41 H ARG 41 -4.464 -16.596 5.755 342 HA ARG 41 HA ARG 41 -6.703 -14.956 6.387 343 HB2 ARG 41 2HB ARG 41 -3.896 -15.107 7.575 344 HB3 ARG 41 3HB ARG 41 -5.192 -14.148 8.278 345 HG2 ARG 41 2HG ARG 41 -5.191 -17.168 7.952 346 HG3 ARG 41 3HG ARG 41 -4.926 -16.284 9.459 347 HD2 ARG 41 2HD ARG 41 -7.210 -15.362 9.321 348 HD3 ARG 41 3HD ARG 41 -7.471 -16.217 7.802 349 HE ARG 41 HE ARG 41 -6.838 -17.786 10.198 350 HH11 ARG 41 1HH1 ARG 41 -9.279 -16.772 7.857 351 HH12 ARG 41 2HH1 ARG 41 -10.406 -18.007 8.325 352 HH21 ARG 41 1HH2 ARG 41 -8.334 -19.363 10.814 353 HH22 ARG 41 2HH2 ARG 41 -9.864 -19.474 10.005 354 H LEU 42 H LEU 42 -3.442 -14.269 5.240 355 HA LEU 42 HA LEU 42 -3.370 -11.549 4.864 356 HB2 LEU 42 2HB LEU 42 -1.571 -13.291 4.577 357 HB3 LEU 42 3HB LEU 42 -2.292 -13.775 3.068 358 HG LEU 42 HG LEU 42 -1.124 -10.986 3.479 359 HD11 LEU 42 1HD1 LEU 42 0.638 -12.658 3.934 360 HD12 LEU 42 2HD1 LEU 42 0.941 -11.804 2.425 361 HD13 LEU 42 3HD1 LEU 42 0.299 -13.451 2.391 362 HD21 LEU 42 3HD2 LEU 42 -2.593 -11.197 1.541 363 HD22 LEU 42 1HD2 LEU 42 -1.683 -12.596 0.972 364 HD23 LEU 42 2HD2 LEU 42 -0.920 -11.002 1.025 365 H GLU 43 H GLU 43 -4.778 -14.054 2.790 366 HA GLU 43 HA GLU 43 -5.346 -12.396 0.542 367 HB2 GLU 43 2HB GLU 43 -4.815 -14.823 0.445 368 HB3 GLU 43 3HB GLU 43 -6.353 -15.186 1.223 369 HG2 GLU 43 2HG GLU 43 -7.569 -14.286 -0.716 370 HG3 GLU 43 3HG GLU 43 -6.044 -13.824 -1.476 371 H GLU 44 H GLU 44 -7.261 -13.437 3.346 372 HA GLU 44 HA GLU 44 -9.845 -12.727 2.392 373 HB2 GLU 44 2HB GLU 44 -8.820 -12.768 5.272 374 HB3 GLU 44 3HB GLU 44 -10.515 -12.685 4.794 375 HG2 GLU 44 2HG GLU 44 -10.300 -14.913 3.712 376 HG3 GLU 44 3HG GLU 44 -8.628 -14.994 4.258 377 H LYS 45 H LYS 45 -7.330 -10.977 4.153 378 HA LYS 45 HA LYS 45 -8.728 -8.533 4.456 379 HB2 LYS 45 2HB LYS 45 -6.793 -9.145 5.858 380 HB3 LYS 45 3HB LYS 45 -5.733 -9.073 4.454 381 HG2 LYS 45 2HG LYS 45 -5.488 -7.048 5.783 382 HG3 LYS 45 3HG LYS 45 -6.199 -6.659 4.218 383 HD2 LYS 45 2HD LYS 45 -7.373 -5.353 5.850 384 HD3 LYS 45 3HD LYS 45 -8.478 -6.643 5.366 385 HE2 LYS 45 2HE LYS 45 -8.492 -6.270 7.813 386 HE3 LYS 45 3HE LYS 45 -7.925 -7.893 7.415 387 HZ1 LYS 45 3HZ LYS 45 -6.147 -5.583 7.989 388 HZ2 LYS 45 1HZ LYS 45 -5.674 -7.192 7.774 389 HZ3 LYS 45 2HZ LYS 45 -6.588 -6.755 9.128 390 H ILE 46 H ILE 46 -6.675 -9.852 1.875 391 HA ILE 46 HA ILE 46 -6.360 -7.555 0.283 392 HB ILE 46 HB ILE 46 -6.575 -10.489 -0.561 393 HG12 ILE 46 2HG1 ILE 46 -4.172 -8.658 -0.118 394 HG13 ILE 46 3HG1 ILE 46 -4.608 -10.069 0.832 395 HG21 ILE 46 1HG2 ILE 46 -5.611 -9.852 -2.747 396 HG22 ILE 46 2HG2 ILE 46 -5.695 -8.152 -2.288 397 HG23 ILE 46 3HG2 ILE 46 -7.179 -9.080 -2.488 398 HD11 ILE 46 3HD1 ILE 46 -4.129 -11.496 -1.119 399 HD12 ILE 46 1HD1 ILE 46 -2.736 -10.559 -0.579 400 HD13 ILE 46 2HD1 ILE 46 -3.624 -10.061 -2.018 401 H GLN 47 H GLN 47 -9.014 -9.936 0.522 402 HA GLN 47 HA GLN 47 -10.615 -8.932 -1.609 403 HB2 GLN 47 2HB GLN 47 -11.621 -10.450 0.839 404 HB3 GLN 47 3HB GLN 47 -12.420 -10.317 -0.721 405 HG2 GLN 47 2HG GLN 47 -9.972 -11.918 0.004 406 HG3 GLN 47 3HG GLN 47 -11.502 -12.499 -0.638 407 HE21 GLN 47 1HE2 GLN 47 -8.406 -11.179 -1.388 408 HE22 GLN 47 2HE2 GLN 47 -8.525 -11.293 -3.108 409 H LYS 48 H LYS 48 -10.516 -8.262 1.872 410 HA LYS 48 HA LYS 48 -12.770 -6.616 2.131 411 HB2 LYS 48 2HB LYS 48 -10.127 -6.542 3.635 412 HB3 LYS 48 3HB LYS 48 -11.556 -5.661 4.144 413 HG2 LYS 48 2HG LYS 48 -11.379 -8.685 3.946 414 HG3 LYS 48 3HG LYS 48 -11.121 -7.757 5.420 415 HD2 LYS 48 2HD LYS 48 -13.346 -8.437 5.672 416 HD3 LYS 48 3HD LYS 48 -13.549 -6.831 4.982 417 HE2 LYS 48 2HE LYS 48 -13.905 -7.865 2.750 418 HE3 LYS 48 3HE LYS 48 -13.713 -9.461 3.470 419 HZ1 LYS 48 3HZ LYS 48 -15.658 -9.045 4.822 420 HZ2 LYS 48 1HZ LYS 48 -16.025 -8.880 3.184 421 HZ3 LYS 48 2HZ LYS 48 -15.841 -7.507 4.148 422 H LEU 49 H LEU 49 -9.425 -5.790 1.313 423 HA LEU 49 HA LEU 49 -9.901 -2.949 1.262 424 HB2 LEU 49 2HB LEU 49 -7.493 -4.583 0.438 425 HB3 LEU 49 3HB LEU 49 -7.514 -2.832 0.579 426 HG LEU 49 HG LEU 49 -7.936 -4.780 2.882 427 HD11 LEU 49 1HD1 LEU 49 -5.643 -4.873 2.036 428 HD12 LEU 49 2HD1 LEU 49 -5.704 -4.121 3.626 429 HD13 LEU 49 3HD1 LEU 49 -5.496 -3.118 2.188 430 HD21 LEU 49 3HD2 LEU 49 -7.619 -1.766 2.905 431 HD22 LEU 49 1HD2 LEU 49 -7.737 -2.813 4.322 432 HD23 LEU 49 2HD2 LEU 49 -9.106 -2.661 3.226 433 H LYS 50 H LYS 50 -9.632 -5.539 -1.212 434 HA LYS 50 HA LYS 50 -9.617 -3.874 -3.505 435 HB2 LYS 50 2HB LYS 50 -10.517 -6.750 -3.075 436 HB3 LYS 50 3HB LYS 50 -10.620 -5.972 -4.650 437 HG2 LYS 50 2HG LYS 50 -8.167 -5.643 -4.668 438 HG3 LYS 50 3HG LYS 50 -8.054 -6.393 -3.072 439 HD2 LYS 50 2HD LYS 50 -7.447 -8.001 -4.835 440 HD3 LYS 50 3HD LYS 50 -8.904 -8.522 -3.989 441 HE2 LYS 50 2HE LYS 50 -9.100 -8.876 -6.420 442 HE3 LYS 50 3HE LYS 50 -10.295 -7.708 -5.858 443 HZ1 LYS 50 3HZ LYS 50 -7.732 -7.066 -7.217 444 HZ2 LYS 50 1HZ LYS 50 -8.850 -5.930 -6.663 445 HZ3 LYS 50 2HZ LYS 50 -9.270 -6.984 -7.911 446 H SER 51 H SER 51 -12.257 -5.304 -1.581 447 HA SER 51 HA SER 51 -14.457 -4.370 -3.021 448 HB2 SER 51 2HB SER 51 -14.590 -6.007 -1.162 449 HB3 SER 51 3HB SER 51 -14.208 -4.730 -0.005 450 HG SER 51 HG SER 51 -16.149 -3.763 -0.435 451 H GLN 52 H GLN 52 -12.398 -2.742 -0.669 452 HA GLN 52 HA GLN 52 -13.908 -0.270 -0.572 453 HB2 GLN 52 2HB GLN 52 -11.126 -1.018 0.411 454 HB3 GLN 52 3HB GLN 52 -11.843 0.574 0.652 455 HG2 GLN 52 2HG GLN 52 -13.645 -0.407 1.989 456 HG3 GLN 52 3HG GLN 52 -12.988 -2.023 1.712 457 HE21 GLN 52 1HE2 GLN 52 -11.087 -2.617 2.772 458 HE22 GLN 52 2HE2 GLN 52 -10.471 -1.739 4.123 459 H GLY 53 H GLY 53 -11.680 -1.614 -2.799 460 HA2 GLY 53 2HA GLY 53 -11.437 -0.720 -4.967 461 HA3 GLY 53 3HA GLY 53 -11.733 0.893 -4.345 462 H PHE 54 H PHE 54 -9.431 -1.234 -2.793 463 HA PHE 54 HA PHE 54 -7.164 0.427 -3.730 464 HB2 PHE 54 2HB PHE 54 -7.327 -1.607 -1.443 465 HB3 PHE 54 3HB PHE 54 -5.903 -0.652 -1.850 466 HD1 PHE 54 HD2 PHE 54 -6.205 1.948 -1.833 467 HD2 PHE 54 HD1 PHE 54 -8.840 -0.764 0.177 468 HE1 PHE 54 HE2 PHE 54 -6.984 3.766 -0.376 469 HE2 PHE 54 HE1 PHE 54 -9.613 1.069 1.629 470 HZ PHE 54 HZ PHE 54 -8.682 3.329 1.346 471 H GLU 55 H GLU 55 -5.541 -0.474 -4.988 472 HA GLU 55 HA GLU 55 -5.934 -3.132 -6.096 473 HB2 GLU 55 2HB GLU 55 -3.762 -1.059 -6.633 474 HB3 GLU 55 3HB GLU 55 -3.900 -2.603 -7.472 475 HG2 GLU 55 2HG GLU 55 -6.290 -1.810 -8.121 476 HG3 GLU 55 3HG GLU 55 -5.743 -0.214 -7.615 477 H VAL 56 H VAL 56 -5.586 -4.579 -4.484 478 HA VAL 56 HA VAL 56 -3.173 -4.393 -2.796 479 HB VAL 56 HB VAL 56 -5.487 -6.350 -2.434 480 HG11 VAL 56 1HG1 VAL 56 -4.716 -6.384 -0.071 481 HG12 VAL 56 2HG1 VAL 56 -3.412 -5.269 -0.480 482 HG13 VAL 56 3HG1 VAL 56 -3.432 -6.891 -1.173 483 HG21 VAL 56 3HG2 VAL 56 -5.247 -3.590 -1.210 484 HG22 VAL 56 1HG2 VAL 56 -6.508 -4.780 -0.902 485 HG23 VAL 56 2HG2 VAL 56 -6.372 -4.042 -2.493 486 H ARG 57 H ARG 57 -1.589 -5.873 -2.927 487 HA ARG 57 HA ARG 57 -1.943 -8.286 -4.595 488 HB2 ARG 57 2HB ARG 57 0.355 -6.286 -4.727 489 HB3 ARG 57 3HB ARG 57 0.496 -7.925 -5.351 490 HG2 ARG 57 2HG ARG 57 -1.441 -5.797 -6.316 491 HG3 ARG 57 3HG ARG 57 -0.008 -6.381 -7.164 492 HD2 ARG 57 2HD ARG 57 -2.537 -7.952 -6.551 493 HD3 ARG 57 3HD ARG 57 -1.977 -7.421 -8.139 494 HE ARG 57 HE ARG 57 -0.064 -8.973 -7.857 495 HH11 ARG 57 1HH1 ARG 57 -2.967 -9.579 -5.969 496 HH12 ARG 57 2HH1 ARG 57 -2.626 -11.273 -5.760 497 HH21 ARG 57 1HH2 ARG 57 0.427 -11.188 -7.496 498 HH22 ARG 57 2HH2 ARG 57 -0.704 -12.187 -6.623 499 H LYS 58 H LYS 58 -0.501 -9.968 -4.160 500 HA LYS 58 HA LYS 58 0.031 -10.301 -1.298 501 HB2 LYS 58 2HB LYS 58 -1.393 -11.897 -2.782 502 HB3 LYS 58 3HB LYS 58 0.112 -12.404 -3.522 503 HG2 LYS 58 2HG LYS 58 -0.471 -12.669 -0.560 504 HG3 LYS 58 3HG LYS 58 -0.823 -13.934 -1.733 505 HD2 LYS 58 2HD LYS 58 1.528 -14.227 -2.232 506 HD3 LYS 58 3HD LYS 58 1.962 -12.796 -1.292 507 HE2 LYS 58 2HE LYS 58 1.110 -13.958 0.755 508 HE3 LYS 58 3HE LYS 58 0.871 -15.411 -0.218 509 HZ1 LYS 58 3HZ LYS 58 2.967 -15.454 0.966 510 HZ2 LYS 58 1HZ LYS 58 3.461 -14.026 0.209 511 HZ3 LYS 58 2HZ LYS 58 3.234 -15.433 -0.704 512 H VAL 59 H VAL 59 2.120 -10.334 -0.528 513 HA VAL 59 HA VAL 59 4.374 -10.885 -2.377 514 HB VAL 59 HB VAL 59 5.812 -9.470 -0.818 515 HG11 VAL 59 1HG1 VAL 59 5.175 -7.308 -1.814 516 HG12 VAL 59 2HG1 VAL 59 3.603 -7.969 -2.274 517 HG13 VAL 59 3HG1 VAL 59 5.077 -8.606 -3.007 518 HG21 VAL 59 3HG2 VAL 59 4.682 -7.783 0.632 519 HG22 VAL 59 1HG2 VAL 59 4.348 -9.432 1.165 520 HG23 VAL 59 2HG2 VAL 59 3.122 -8.527 0.275 521 H LYS 60 H LYS 60 6.073 -12.143 -1.517 522 HA LYS 60 HA LYS 60 5.257 -14.082 0.469 523 HB2 LYS 60 2HB LYS 60 7.300 -15.292 -0.063 524 HB3 LYS 60 3HB LYS 60 6.508 -14.793 -1.551 525 HG2 LYS 60 2HG LYS 60 8.137 -12.890 -1.714 526 HG3 LYS 60 3HG LYS 60 8.958 -13.529 -0.291 527 HD2 LYS 60 2HD LYS 60 10.147 -14.214 -2.300 528 HD3 LYS 60 3HD LYS 60 9.437 -15.633 -1.527 529 HE2 LYS 60 2HE LYS 60 9.171 -15.736 -3.961 530 HE3 LYS 60 3HE LYS 60 7.593 -15.599 -3.186 531 HZ1 LYS 60 3HZ LYS 60 7.580 -13.242 -3.730 532 HZ2 LYS 60 1HZ LYS 60 7.773 -14.174 -5.126 533 HZ3 LYS 60 2HZ LYS 60 9.099 -13.370 -4.455 534 H ASP 61 H ASP 61 7.440 -11.316 0.327 535 HA ASP 61 HA ASP 61 7.448 -10.952 3.131 536 HB2 ASP 61 2HB ASP 61 9.644 -11.547 3.812 537 HB3 ASP 61 3HB ASP 61 9.121 -12.922 2.852 538 H ASP 62 H ASP 62 9.620 -9.382 3.578 539 HA ASP 62 HA ASP 62 8.920 -6.975 2.249 540 HB2 ASP 62 2HB ASP 62 9.635 -7.349 4.705 541 HB3 ASP 62 3HB ASP 62 11.293 -7.389 4.116 542 H ASP 63 H ASP 63 11.788 -9.044 2.131 543 HA ASP 63 HA ASP 63 13.378 -7.657 0.306 544 HB2 ASP 63 2HB ASP 63 14.172 -9.684 1.443 545 HB3 ASP 63 3HB ASP 63 13.009 -10.673 0.576 546 H ASP 64 H ASP 64 10.537 -9.649 -0.298 547 HA ASP 64 HA ASP 64 10.598 -9.570 -3.156 548 HB2 ASP 64 2HB ASP 64 9.336 -11.219 -1.644 549 HB3 ASP 64 3HB ASP 64 8.142 -9.952 -1.395 550 H ILE 65 H ILE 65 9.151 -7.599 -0.634 551 HA ILE 65 HA ILE 65 7.475 -5.917 -2.145 552 HB ILE 65 HB ILE 65 8.937 -5.383 0.475 553 HG12 ILE 65 2HG1 ILE 65 6.026 -6.045 -0.164 554 HG13 ILE 65 3HG1 ILE 65 7.209 -7.170 0.487 555 HG21 ILE 65 1HG2 ILE 65 6.827 -3.597 -0.791 556 HG22 ILE 65 2HG2 ILE 65 8.521 -3.182 -0.533 557 HG23 ILE 65 3HG2 ILE 65 7.455 -3.434 0.848 558 HD11 ILE 65 3HD1 ILE 65 5.713 -6.413 2.195 559 HD12 ILE 65 1HD1 ILE 65 6.125 -4.732 1.868 560 HD13 ILE 65 2HD1 ILE 65 7.343 -5.827 2.526 561 H ASP 66 H ASP 66 10.966 -5.376 -1.325 562 HA ASP 66 HA ASP 66 11.263 -2.897 -2.622 563 HB2 ASP 66 2HB ASP 66 13.225 -5.114 -1.971 564 HB3 ASP 66 3HB ASP 66 13.773 -3.746 -2.937 565 H LYS 67 H LYS 67 11.711 -6.165 -3.902 566 HA LYS 67 HA LYS 67 12.289 -5.540 -6.589 567 HB2 LYS 67 2HB LYS 67 10.894 -7.982 -5.413 568 HB3 LYS 67 3HB LYS 67 11.533 -7.893 -7.055 569 HG2 LYS 67 2HG LYS 67 13.798 -7.661 -6.234 570 HG3 LYS 67 3HG LYS 67 13.232 -7.532 -4.565 571 HD2 LYS 67 2HD LYS 67 12.416 -9.845 -4.639 572 HD3 LYS 67 3HD LYS 67 12.897 -9.983 -6.336 573 HE2 LYS 67 2HE LYS 67 14.520 -11.042 -4.800 574 HE3 LYS 67 3HE LYS 67 15.242 -9.727 -5.725 575 HZ1 LYS 67 3HZ LYS 67 15.875 -9.727 -3.370 576 HZ2 LYS 67 1HZ LYS 67 14.263 -9.493 -2.933 577 HZ3 LYS 67 2HZ LYS 67 15.081 -8.305 -3.812 578 H TRP 68 H TRP 68 9.233 -5.766 -4.864 579 HA TRP 68 HA TRP 68 7.483 -5.860 -7.089 580 HB2 TRP 68 2HB TRP 68 6.933 -6.472 -4.630 581 HB3 TRP 68 3HB TRP 68 6.712 -4.747 -4.351 582 HD1 TRP 68 HD1 TRP 68 5.107 -7.762 -6.035 583 HE1 TRP 68 HE1 TRP 68 2.731 -7.140 -6.809 584 HE3 TRP 68 HE3 TRP 68 5.204 -2.724 -5.085 585 HZ2 TRP 68 HZ2 TRP 68 1.111 -4.850 -6.967 586 HZ3 TRP 68 HZ3 TRP 68 3.184 -1.398 -5.559 587 HH2 TRP 68 HH2 TRP 68 1.181 -2.445 -6.480 588 H ILE 69 H ILE 69 8.695 -3.171 -5.085 589 HA ILE 69 HA ILE 69 7.162 -1.144 -6.409 590 HB ILE 69 HB ILE 69 9.439 -1.145 -4.409 591 HG12 ILE 69 2HG1 ILE 69 7.777 0.302 -3.119 592 HG13 ILE 69 3HG1 ILE 69 6.628 0.046 -4.418 593 HG21 ILE 69 1HG2 ILE 69 8.526 1.356 -5.861 594 HG22 ILE 69 2HG2 ILE 69 10.144 0.649 -5.895 595 HG23 ILE 69 3HG2 ILE 69 9.516 1.340 -4.398 596 HD11 ILE 69 3HD1 ILE 69 7.783 -2.068 -2.619 597 HD12 ILE 69 1HD1 ILE 69 6.606 -2.342 -3.909 598 HD13 ILE 69 2HD1 ILE 69 6.174 -1.358 -2.509 599 H ASP 70 H ASP 70 10.449 -2.425 -6.771 600 HA ASP 70 HA ASP 70 11.451 -0.596 -8.654 601 HB2 ASP 70 2HB ASP 70 12.904 -2.135 -7.368 602 HB3 ASP 70 3HB ASP 70 12.230 -3.515 -8.223 603 H LYS 71 H LYS 71 9.644 -3.654 -9.103 604 HA LYS 71 HA LYS 71 9.853 -3.612 -11.950 605 HB2 LYS 71 2HB LYS 71 8.447 -5.523 -12.014 606 HB3 LYS 71 3HB LYS 71 9.429 -5.695 -10.570 607 HG2 LYS 71 2HG LYS 71 7.483 -4.888 -9.210 608 HG3 LYS 71 3HG LYS 71 6.513 -4.860 -10.680 609 HD2 LYS 71 2HD LYS 71 6.077 -6.901 -9.390 610 HD3 LYS 71 3HD LYS 71 6.826 -7.308 -10.936 611 HE2 LYS 71 2HE LYS 71 8.993 -7.603 -9.814 612 HE3 LYS 71 3HE LYS 71 8.277 -7.135 -8.270 613 HZ1 LYS 71 3HZ LYS 71 6.857 -9.073 -8.377 614 HZ2 LYS 71 1HZ LYS 71 8.478 -9.524 -8.490 615 HZ3 LYS 71 2HZ LYS 71 7.512 -9.514 -9.872 616 H ILE 72 H ILE 72 7.523 -2.218 -9.670 617 HA ILE 72 HA ILE 72 5.462 -1.666 -11.579 618 HB ILE 72 HB ILE 72 6.064 -0.421 -8.859 619 HG12 ILE 72 2HG1 ILE 72 5.363 -2.810 -8.822 620 HG13 ILE 72 3HG1 ILE 72 4.184 -1.766 -8.049 621 HG21 ILE 72 1HG2 ILE 72 4.824 1.257 -10.132 622 HG22 ILE 72 2HG2 ILE 72 3.767 0.545 -8.914 623 HG23 ILE 72 3HG2 ILE 72 3.617 0.058 -10.603 624 HD11 ILE 72 3HD1 ILE 72 2.758 -1.906 -10.019 625 HD12 ILE 72 1HD1 ILE 72 3.122 -3.492 -9.345 626 HD13 ILE 72 2HD1 ILE 72 3.944 -2.951 -10.808 627 H LYS 73 H LYS 73 8.241 0.218 -10.367 628 HA LYS 73 HA LYS 73 7.746 2.592 -11.858 629 HB2 LYS 73 2HB LYS 73 10.379 1.454 -10.827 630 HB3 LYS 73 3HB LYS 73 10.166 3.092 -11.446 631 HG2 LYS 73 2HG LYS 73 8.590 3.590 -9.613 632 HG3 LYS 73 3HG LYS 73 8.784 1.951 -8.989 633 HD2 LYS 73 2HD LYS 73 10.978 4.056 -9.189 634 HD3 LYS 73 3HD LYS 73 10.149 3.566 -7.711 635 HE2 LYS 73 2HE LYS 73 11.094 1.298 -7.913 636 HE3 LYS 73 3HE LYS 73 11.882 1.747 -9.427 637 HZ1 LYS 73 3HZ LYS 73 13.422 1.841 -7.589 638 HZ2 LYS 73 1HZ LYS 73 12.435 2.934 -6.762 639 HZ3 LYS 73 2HZ LYS 73 13.175 3.396 -8.206 640 H LYS 74 H LYS 74 9.120 -0.511 -12.706 641 HA LYS 74 HA LYS 74 10.495 0.380 -15.090 642 HB2 LYS 74 2HB LYS 74 11.354 -1.403 -13.587 643 HB3 LYS 74 3HB LYS 74 9.973 -2.414 -13.991 644 HG2 LYS 74 2HG LYS 74 10.736 -2.655 -16.272 645 HG3 LYS 74 3HG LYS 74 12.004 -1.454 -16.036 646 HD2 LYS 74 2HD LYS 74 11.888 -4.103 -14.535 647 HD3 LYS 74 3HD LYS 74 12.782 -3.870 -16.033 648 HE2 LYS 74 2HE LYS 74 14.347 -3.716 -14.213 649 HE3 LYS 74 3HE LYS 74 14.149 -2.100 -14.876 650 HZ1 LYS 74 3HZ LYS 74 14.205 -2.137 -12.444 651 HZ2 LYS 74 1HZ LYS 74 12.818 -3.100 -12.407 652 HZ3 LYS 74 2HZ LYS 74 12.742 -1.525 -13.017 653 H GLU 75 H GLU 75 7.504 -1.381 -14.310 654 HA GLU 75 HA GLU 75 6.752 -1.874 -17.066 655 HB2 GLU 75 2HB GLU 75 5.103 -2.074 -14.501 656 HB3 GLU 75 3HB GLU 75 4.606 -2.673 -16.079 657 HG2 GLU 75 2HG GLU 75 6.957 -3.692 -14.463 658 HG3 GLU 75 3HG GLU 75 5.391 -4.482 -14.610 659 H ARG 76 H ARG 76 6.023 0.442 -14.535 660 HA ARG 76 HA ARG 76 4.408 2.120 -16.372 661 HB2 ARG 76 2HB ARG 76 4.002 1.809 -13.355 662 HB3 ARG 76 3HB ARG 76 3.001 2.743 -14.461 663 HG2 ARG 76 2HG ARG 76 2.256 0.658 -15.569 664 HG3 ARG 76 3HG ARG 76 3.295 -0.283 -14.499 665 HD2 ARG 76 2HD ARG 76 0.989 -0.399 -13.722 666 HD3 ARG 76 3HD ARG 76 1.963 0.488 -12.550 667 HE ARG 76 HE ARG 76 0.848 2.438 -13.095 668 HH11 ARG 76 1HH1 ARG 76 -0.369 -0.153 -15.135 669 HH12 ARG 76 2HH1 ARG 76 -1.760 0.749 -15.645 670 HH21 ARG 76 1HH2 ARG 76 -0.965 3.594 -13.764 671 HH22 ARG 76 2HH2 ARG 76 -2.094 2.875 -14.863 672 HA PRO 77 HA PRO 77 8.084 4.547 -14.839 673 HB2 PRO 77 2HB PRO 77 9.078 5.402 -17.187 674 HB3 PRO 77 3HB PRO 77 9.241 3.701 -16.698 675 HG2 PRO 77 2HG PRO 77 7.295 4.914 -18.634 676 HG3 PRO 77 3HG PRO 77 8.217 3.400 -18.770 677 HD2 PRO 77 2HD PRO 77 5.555 3.570 -17.914 678 HD3 PRO 77 3HD PRO 77 6.642 2.203 -17.587 679 H GLN 78 H GLN 78 5.125 5.433 -16.028 680 HA GLN 78 HA GLN 78 5.689 8.333 -16.031 681 HB2 GLN 78 2HB GLN 78 3.172 6.835 -16.870 682 HB3 GLN 78 3HB GLN 78 3.413 8.573 -16.985 683 HG2 GLN 78 2HG GLN 78 4.920 6.440 -18.527 684 HG3 GLN 78 3HG GLN 78 3.699 7.531 -19.174 685 HE21 GLN 78 1HE2 GLN 78 7.023 7.205 -18.228 686 HE22 GLN 78 2HE2 GLN 78 7.550 8.740 -18.816 687 H LEU 79 H LEU 79 5.394 6.318 -13.647 688 HA LEU 79 HA LEU 79 4.125 8.375 -12.007 689 HB2 LEU 79 2HB LEU 79 3.042 6.570 -10.572 690 HB3 LEU 79 3HB LEU 79 2.303 6.903 -12.125 691 HG LEU 79 HG LEU 79 3.521 4.797 -13.004 692 HD11 LEU 79 1HD1 LEU 79 4.124 3.064 -11.381 693 HD12 LEU 79 2HD1 LEU 79 3.848 4.187 -10.048 694 HD13 LEU 79 3HD1 LEU 79 5.156 4.482 -11.195 695 HD21 LEU 79 3HD2 LEU 79 1.370 4.459 -10.896 696 HD22 LEU 79 1HD2 LEU 79 1.764 3.302 -12.171 697 HD23 LEU 79 2HD2 LEU 79 1.110 4.884 -12.589 698 H GLU 80 H GLU 80 4.728 8.374 -9.845 699 HA GLU 80 HA GLU 80 7.345 7.168 -9.208 700 HB2 GLU 80 2HB GLU 80 7.330 8.881 -7.316 701 HB3 GLU 80 3HB GLU 80 7.430 9.547 -8.932 702 HG2 GLU 80 2HG GLU 80 4.708 9.328 -7.744 703 HG3 GLU 80 3HG GLU 80 5.792 10.506 -7.020 704 H VAL 81 H VAL 81 7.622 6.088 -7.192 705 HA VAL 81 HA VAL 81 5.123 5.067 -5.944 706 HB VAL 81 HB VAL 81 7.648 3.412 -6.459 707 HG11 VAL 81 1HG1 VAL 81 6.361 2.681 -4.493 708 HG12 VAL 81 2HG1 VAL 81 6.263 1.491 -5.790 709 HG13 VAL 81 3HG1 VAL 81 4.897 2.564 -5.477 710 HG21 VAL 81 3HG2 VAL 81 6.399 2.210 -8.212 711 HG22 VAL 81 1HG2 VAL 81 6.547 3.923 -8.614 712 HG23 VAL 81 2HG2 VAL 81 5.021 3.292 -7.996 713 H ARG 82 H ARG 82 5.044 5.288 -3.816 714 HA ARG 82 HA ARG 82 7.499 5.725 -2.196 715 HB2 ARG 82 2HB ARG 82 6.058 7.661 -2.093 716 HB3 ARG 82 3HB ARG 82 4.620 6.671 -1.883 717 HG2 ARG 82 2HG ARG 82 5.157 7.768 0.211 718 HG3 ARG 82 3HG ARG 82 5.402 6.033 0.390 719 HD2 ARG 82 2HD ARG 82 7.864 6.408 0.045 720 HD3 ARG 82 3HD ARG 82 7.560 8.149 0.028 721 HE ARG 82 HE ARG 82 6.962 6.396 2.344 722 HH11 ARG 82 1HH1 ARG 82 8.260 9.406 1.088 723 HH12 ARG 82 2HH1 ARG 82 8.632 10.047 2.654 724 HH21 ARG 82 1HH2 ARG 82 7.465 7.218 4.382 725 HH22 ARG 82 2HH2 ARG 82 8.176 8.794 4.536 726 H LYS 83 H LYS 83 7.870 4.285 -0.480 727 HA LYS 83 HA LYS 83 5.914 2.109 -0.008 728 HB2 LYS 83 2HB LYS 83 8.783 2.364 1.012 729 HB3 LYS 83 3HB LYS 83 7.724 0.972 1.219 730 HG2 LYS 83 2HG LYS 83 7.705 0.804 -1.349 731 HG3 LYS 83 3HG LYS 83 9.042 1.954 -1.323 732 HD2 LYS 83 2HD LYS 83 8.994 -0.816 -0.051 733 HD3 LYS 83 3HD LYS 83 9.934 -0.319 -1.460 734 HE2 LYS 83 2HE LYS 83 11.325 1.130 -0.091 735 HE3 LYS 83 3HE LYS 83 10.299 0.863 1.312 736 HZ1 LYS 83 3HZ LYS 83 10.970 -1.427 1.361 737 HZ2 LYS 83 1HZ LYS 83 12.346 -0.440 1.391 738 HZ3 LYS 83 2HZ LYS 83 11.903 -1.238 -0.034 739 H VAL 84 H VAL 84 4.686 2.162 1.816 740 HA VAL 84 HA VAL 84 5.458 3.896 4.109 741 HB VAL 84 HB VAL 84 2.696 3.219 2.984 742 HG11 VAL 84 1HG1 VAL 84 1.735 4.641 4.759 743 HG12 VAL 84 2HG1 VAL 84 3.325 4.817 5.499 744 HG13 VAL 84 3HG1 VAL 84 2.550 3.231 5.441 745 HG21 VAL 84 3HG2 VAL 84 2.502 5.604 2.555 746 HG22 VAL 84 1HG2 VAL 84 3.933 4.966 1.749 747 HG23 VAL 84 2HG2 VAL 84 4.101 5.900 3.241 748 H THR 85 H THR 85 6.333 2.448 5.516 749 HA THR 85 HA THR 85 5.241 -0.237 5.830 750 HB THR 85 HB THR 85 7.163 -0.585 7.356 751 HG1 THR 85 HG1 THR 85 7.699 1.237 8.353 752 HG21 THR 85 3HG2 THR 85 8.984 -0.271 5.722 753 HG22 THR 85 1HG2 THR 85 7.980 0.840 4.796 754 HG23 THR 85 2HG2 THR 85 7.528 -0.864 4.917 755 H ASP 86 H ASP 86 5.863 2.577 7.973 756 HA ASP 86 HA ASP 86 4.185 1.485 10.106 757 HB2 ASP 86 2HB ASP 86 5.614 4.183 9.969 758 HB3 ASP 86 3HB ASP 86 4.936 3.431 11.409 759 H GLU 87 H GLU 87 2.258 2.497 10.860 760 HA GLU 87 HA GLU 87 0.606 3.942 9.071 761 HB2 GLU 87 2HB GLU 87 -1.007 4.104 10.829 762 HB3 GLU 87 3HB GLU 87 -0.225 2.547 11.016 763 HG2 GLU 87 2HG GLU 87 0.368 5.002 12.689 764 HG3 GLU 87 3HG GLU 87 -0.710 3.702 13.169 765 H ASP 88 H ASP 88 2.911 4.945 11.509 766 HA ASP 88 HA ASP 88 2.511 7.687 11.730 767 HB2 ASP 88 2HB ASP 88 4.077 6.450 13.136 768 HB3 ASP 88 3HB ASP 88 5.062 6.007 11.748 769 H GLN 89 H GLN 89 4.142 5.816 9.221 770 HA GLN 89 HA GLN 89 5.124 8.065 7.730 771 HB2 GLN 89 2HB GLN 89 4.770 5.163 6.867 772 HB3 GLN 89 3HB GLN 89 5.714 6.377 6.015 773 HG2 GLN 89 2HG GLN 89 6.308 5.340 8.802 774 HG3 GLN 89 3HG GLN 89 7.130 4.833 7.329 775 HE21 GLN 89 1HE2 GLN 89 8.651 6.209 6.398 776 HE22 GLN 89 2HE2 GLN 89 9.250 7.625 7.178 777 H ALA 90 H ALA 90 2.198 6.065 7.644 778 HA ALA 90 HA ALA 90 1.077 7.159 5.258 779 HB1 ALA 90 3HB ALA 90 0.324 5.014 6.159 780 HB2 ALA 90 1HB ALA 90 -1.036 6.130 6.024 781 HB3 ALA 90 2HB ALA 90 -0.306 5.810 7.602 782 H LYS 91 H LYS 91 1.027 8.161 8.628 783 HA LYS 91 HA LYS 91 -0.875 10.301 8.330 784 HB2 LYS 91 2HB LYS 91 1.222 9.782 10.492 785 HB3 LYS 91 3HB LYS 91 -0.045 11.003 10.594 786 HG2 LYS 91 2HG LYS 91 -1.772 9.239 10.553 787 HG3 LYS 91 3HG LYS 91 -0.521 8.011 10.387 788 HD2 LYS 91 2HD LYS 91 -1.207 8.008 12.686 789 HD3 LYS 91 3HD LYS 91 0.396 8.744 12.628 790 HE2 LYS 91 2HE LYS 91 -1.072 9.986 14.146 791 HE3 LYS 91 3HE LYS 91 -0.649 10.991 12.760 792 HZ1 LYS 91 3HZ LYS 91 -3.000 11.145 13.341 793 HZ2 LYS 91 1HZ LYS 91 -3.195 9.491 13.091 794 HZ3 LYS 91 2HZ LYS 91 -2.805 10.499 11.792 795 H GLN 92 H GLN 92 2.603 9.920 7.999 796 HA GLN 92 HA GLN 92 3.360 12.661 7.994 797 HB2 GLN 92 2HB GLN 92 4.974 10.897 8.506 798 HB3 GLN 92 3HB GLN 92 4.743 10.166 6.927 799 HG2 GLN 92 2HG GLN 92 6.891 11.418 7.153 800 HG3 GLN 92 3HG GLN 92 5.880 11.998 5.831 801 HE21 GLN 92 1HE2 GLN 92 5.155 14.090 5.875 802 HE22 GLN 92 2HE2 GLN 92 5.601 15.244 7.080 803 H ILE 93 H ILE 93 2.972 10.290 5.318 804 HA ILE 93 HA ILE 93 3.469 12.058 3.220 805 HB ILE 93 HB ILE 93 2.348 10.434 1.705 806 HG12 ILE 93 2HG1 ILE 93 1.637 8.987 4.292 807 HG13 ILE 93 3HG1 ILE 93 0.493 9.758 3.200 808 HG21 ILE 93 1HG2 ILE 93 4.210 9.167 3.755 809 HG22 ILE 93 2HG2 ILE 93 4.711 10.103 2.345 810 HG23 ILE 93 3HG2 ILE 93 3.899 8.551 2.131 811 HD11 ILE 93 3HD1 ILE 93 0.530 7.344 2.972 812 HD12 ILE 93 1HD1 ILE 93 2.229 7.403 2.522 813 HD13 ILE 93 2HD1 ILE 93 1.017 8.148 1.481 814 H LEU 94 H LEU 94 0.454 11.574 4.981 815 HA LEU 94 HA LEU 94 -1.329 12.962 3.383 816 HB2 LEU 94 2HB LEU 94 -1.064 12.950 6.412 817 HB3 LEU 94 3HB LEU 94 -2.392 13.769 5.605 818 HG LEU 94 HG LEU 94 -1.821 10.781 5.392 819 HD11 LEU 94 1HD1 LEU 94 -2.555 11.382 7.657 820 HD12 LEU 94 2HD1 LEU 94 -3.789 10.453 6.810 821 HD13 LEU 94 3HD1 LEU 94 -3.972 12.201 6.992 822 HD21 LEU 94 3HD2 LEU 94 -2.924 11.649 3.382 823 HD22 LEU 94 1HD2 LEU 94 -4.176 12.411 4.370 824 HD23 LEU 94 2HD2 LEU 94 -4.038 10.652 4.312 825 H GLU 95 H GLU 95 1.118 14.300 5.601 826 HA GLU 95 HA GLU 95 0.586 17.074 4.862 827 HB2 GLU 95 2HB GLU 95 2.858 15.955 6.567 828 HB3 GLU 95 3HB GLU 95 2.366 17.640 6.437 829 HG2 GLU 95 2HG GLU 95 0.144 17.001 7.451 830 HG3 GLU 95 3HG GLU 95 0.795 15.384 7.719 831 H ASP 96 H ASP 96 2.639 14.520 3.807 832 HA ASP 96 HA ASP 96 4.881 16.145 2.935 833 HB2 ASP 96 2HB ASP 96 4.602 13.422 3.571 834 HB3 ASP 96 3HB ASP 96 4.840 13.381 1.834 835 H LEU 97 H LEU 97 2.077 14.680 1.365 836 HA LEU 97 HA LEU 97 2.793 15.510 -1.300 837 HB2 LEU 97 2HB LEU 97 0.220 14.472 -0.066 838 HB3 LEU 97 3HB LEU 97 0.195 15.180 -1.670 839 HG LEU 97 HG LEU 97 1.892 13.421 -2.400 840 HD11 LEU 97 1HD1 LEU 97 2.815 12.780 -0.246 841 HD12 LEU 97 2HD1 LEU 97 2.130 11.377 -1.065 842 HD13 LEU 97 3HD1 LEU 97 1.246 12.142 0.267 843 HD21 LEU 97 3HD2 LEU 97 -0.484 13.214 -2.951 844 HD22 LEU 97 1HD2 LEU 97 -0.789 12.396 -1.417 845 HD23 LEU 97 2HD2 LEU 97 0.225 11.630 -2.645 846 H LYS 98 H LYS 98 1.569 17.108 1.479 847 HA LYS 98 HA LYS 98 0.260 19.288 0.053 848 HB2 LYS 98 2HB LYS 98 0.977 19.260 3.018 849 HB3 LYS 98 3HB LYS 98 -0.154 20.335 2.206 850 HG2 LYS 98 2HG LYS 98 -0.480 17.407 2.830 851 HG3 LYS 98 3HG LYS 98 -1.445 18.750 3.429 852 HD2 LYS 98 2HD LYS 98 -1.401 17.712 0.568 853 HD3 LYS 98 3HD LYS 98 -2.661 17.401 1.760 854 HE2 LYS 98 2HE LYS 98 -3.245 19.782 1.806 855 HE3 LYS 98 3HE LYS 98 -1.940 20.144 0.671 856 HZ1 LYS 98 3HZ LYS 98 -4.063 19.988 -0.456 857 HZ2 LYS 98 1HZ LYS 98 -4.287 18.412 0.117 858 HZ3 LYS 98 2HZ LYS 98 -3.035 18.746 -0.965 859 H LYS 99 H LYS 99 3.401 18.611 1.487 860 HA LYS 99 HA LYS 99 4.680 21.075 1.319 861 HB2 LYS 99 2HB LYS 99 5.829 18.372 0.479 862 HB3 LYS 99 3HB LYS 99 6.785 19.817 0.794 863 HG2 LYS 99 2HG LYS 99 6.140 19.772 3.155 864 HG3 LYS 99 3HG LYS 99 5.094 18.373 2.867 865 HD2 LYS 99 2HD LYS 99 7.088 17.053 2.160 866 HD3 LYS 99 3HD LYS 99 8.124 18.442 2.502 867 HE2 LYS 99 2HE LYS 99 7.564 18.310 4.874 868 HE3 LYS 99 3HE LYS 99 6.405 17.015 4.559 869 HZ1 LYS 99 3HZ LYS 99 8.528 16.191 5.388 870 HZ2 LYS 99 1HZ LYS 99 9.327 16.844 4.050 871 HZ3 LYS 99 2HZ LYS 99 8.201 15.598 3.839 872 H LYS 100 H LYS 100 4.946 18.615 -1.233 873 HA LYS 100 HA LYS 100 3.731 20.179 -3.315 874 HB2 LYS 100 2HB LYS 100 6.737 19.641 -3.426 875 HB3 LYS 100 3HB LYS 100 5.795 19.835 -4.891 876 HG2 LYS 100 2HG LYS 100 6.284 21.934 -2.759 877 HG3 LYS 100 3HG LYS 100 6.964 21.896 -4.384 878 HD2 LYS 100 2HD LYS 100 4.025 22.264 -3.686 879 HD3 LYS 100 3HD LYS 100 5.120 23.542 -4.202 880 HE2 LYS 100 2HE LYS 100 4.234 21.167 -5.877 881 HE3 LYS 100 3HE LYS 100 3.668 22.827 -6.048 882 HZ1 LYS 100 3HZ LYS 100 6.457 21.901 -6.479 883 HZ2 LYS 100 1HZ LYS 100 5.904 23.490 -6.645 884 HZ3 LYS 100 2HZ LYS 100 5.336 22.287 -7.685 885 H GLY 101 H GLY 101 3.949 18.807 -5.462 886 HA2 GLY 101 2HA GLY 101 3.328 16.050 -5.083 887 HA3 GLY 101 3HA GLY 101 3.754 16.816 -6.611 888 H SER 102 H SER 102 6.321 17.786 -5.795 889 HA SER 102 HA SER 102 7.936 15.358 -5.727 890 HB2 SER 102 2HB SER 102 8.756 18.301 -5.833 891 HB3 SER 102 3HB SER 102 9.828 16.915 -6.057 892 HG SER 102 HG SER 102 7.739 16.676 -7.723 893 H LEU 103 H LEU 103 8.383 14.462 -3.816 894 HA LEU 103 HA LEU 103 7.799 15.707 -1.296 895 HB2 LEU 103 2HB LEU 103 8.819 12.983 -2.134 896 HB3 LEU 103 3HB LEU 103 8.854 13.436 -0.441 897 HG LEU 103 HG LEU 103 6.400 13.629 -0.384 898 HD11 LEU 103 1HD1 LEU 103 4.976 12.936 -2.283 899 HD12 LEU 103 2HD1 LEU 103 6.406 12.873 -3.317 900 HD13 LEU 103 3HD1 LEU 103 5.888 14.408 -2.623 901 HD21 LEU 103 3HD2 LEU 103 7.392 11.454 0.113 902 HD22 LEU 103 1HD2 LEU 103 7.341 11.007 -1.595 903 HD23 LEU 103 2HD2 LEU 103 5.840 11.239 -0.693 904 H GLU 104 H GLU 104 10.546 15.938 -3.229 905 HA GLU 104 HA GLU 104 12.228 16.760 -0.964 906 HB2 GLU 104 2HB GLU 104 14.045 15.364 -1.481 907 HB3 GLU 104 3HB GLU 104 12.663 14.299 -1.655 908 HG2 GLU 104 2HG GLU 104 14.299 15.562 -3.861 909 HG3 GLU 104 3HG GLU 104 14.240 13.865 -3.419 910 H HIS 105 H HIS 105 14.540 17.382 -2.246 911 HA HIS 105 HA HIS 105 13.858 19.772 -3.733 912 HB2 HIS 105 2HB HIS 105 15.611 19.507 -1.808 913 HB3 HIS 105 3HB HIS 105 16.668 18.826 -3.031 914 HD1 HIS 105 HD1 HIS 105 16.612 21.700 -1.307 915 HD2 HIS 105 HD2 HIS 105 16.360 21.057 -5.401 916 HE1 HIS 105 HE1 HIS 105 17.451 23.810 -2.377 917 HE2 HIS 105 HE2 HIS 105 17.431 23.326 -4.833 918 H HIS 106 H HIS 106 13.102 17.753 -5.345 919 HA HIS 106 HA HIS 106 13.118 17.045 -7.488 920 HB2 HIS 106 2HB HIS 106 13.044 19.511 -7.767 921 HB3 HIS 106 3HB HIS 106 14.797 19.576 -7.852 922 HD1 HIS 106 HD1 HIS 106 12.143 17.586 -9.771 923 HD2 HIS 106 HD2 HIS 106 15.495 19.944 -10.442 924 HE1 HIS 106 HE1 HIS 106 12.522 17.531 -12.248 925 HE2 HIS 106 HE2 HIS 106 14.446 19.103 -12.627 926 H HIS 107 H HIS 107 14.896 15.493 -6.105 927 HA HIS 107 HA HIS 107 17.329 15.323 -7.710 928 HB2 HIS 107 2HB HIS 107 18.103 13.517 -6.310 929 HB3 HIS 107 3HB HIS 107 17.555 14.846 -5.318 930 HD1 HIS 107 HD1 HIS 107 17.110 13.632 -3.204 931 HD2 HIS 107 HD2 HIS 107 15.283 11.758 -6.437 932 HE1 HIS 107 HE1 HIS 107 15.822 11.702 -2.235 933 HE2 HIS 107 HE2 HIS 107 14.858 10.515 -4.219 934 H HIS 108 H HIS 108 14.167 13.966 -7.816 935 HA HIS 108 HA HIS 108 14.970 11.887 -9.741 936 HB2 HIS 108 2HB HIS 108 12.720 11.048 -9.605 937 HB3 HIS 108 3HB HIS 108 13.231 11.404 -7.959 938 HD1 HIS 108 HD1 HIS 108 11.979 13.312 -6.709 939 HD2 HIS 108 HD2 HIS 108 10.581 12.650 -10.564 940 HE1 HIS 108 HE1 HIS 108 9.830 14.585 -6.882 941 HE2 HIS 108 HE2 HIS 108 8.964 14.081 -9.181 942 H HIS 109 H HIS 109 14.459 11.936 -11.871 943 HA HIS 109 HA HIS 109 12.589 13.671 -13.126 944 HB2 HIS 109 2HB HIS 109 14.176 14.970 -14.567 945 HB3 HIS 109 3HB HIS 109 14.356 15.387 -12.869 946 HD1 HIS 109 HD1 HIS 109 16.624 14.873 -11.759 947 HD2 HIS 109 HD2 HIS 109 16.452 13.693 -15.742 948 HE1 HIS 109 HE1 HIS 109 18.992 14.394 -12.436 949 HE2 HIS 109 HE2 HIS 109 18.834 13.516 -14.775 950 H HIS 110 H HIS 110 12.585 11.070 -13.057 951 HA HIS 110 HA HIS 110 12.734 9.048 -14.021 952 HB2 HIS 110 2HB HIS 110 12.621 9.966 -16.327 953 HB3 HIS 110 3HB HIS 110 14.340 10.326 -16.285 954 HD1 HIS 110 HD1 HIS 110 11.925 7.461 -16.594 955 HD2 HIS 110 HD2 HIS 110 16.016 8.140 -16.868 956 HE1 HIS 110 HE1 HIS 110 12.890 5.380 -17.609 957 HE2 HIS 110 HE2 HIS 110 15.375 5.731 -17.545 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.430 18.026 -9.536 2 H2 MET 1 2H MET 1 2.774 18.006 -7.881 3 H3 MET 1 3H MET 1 2.170 16.620 -8.634 4 HA MET 1 HA MET 1 4.795 17.883 -9.179 5 HB2 MET 1 2HB MET 1 4.461 16.643 -6.940 6 HB3 MET 1 3HB MET 1 4.243 15.178 -7.882 7 HG2 MET 1 2HG MET 1 6.744 16.879 -7.879 8 HG3 MET 1 3HG MET 1 6.512 15.417 -6.926 9 HE1 MET 1 3HE MET 1 9.101 14.135 -9.489 10 HE2 MET 1 1HE MET 1 8.607 14.139 -7.798 11 HE3 MET 1 2HE MET 1 9.057 15.652 -8.588 12 H GLY 2 H GLY 2 2.880 14.906 -9.551 13 HA2 GLY 2 2HA GLY 2 2.590 15.042 -12.343 14 HA3 GLY 2 3HA GLY 2 3.936 13.959 -11.971 15 H SER 3 H SER 3 2.527 12.291 -12.963 16 HA SER 3 HA SER 3 0.303 11.218 -11.555 17 HB2 SER 3 2HB SER 3 2.380 9.758 -13.265 18 HB3 SER 3 3HB SER 3 0.774 9.154 -12.839 19 HG SER 3 HG SER 3 1.219 10.364 -14.982 20 H LYS 4 H LYS 4 0.251 10.061 -9.662 21 HA LYS 4 HA LYS 4 2.785 9.045 -8.496 22 HB2 LYS 4 2HB LYS 4 2.092 11.309 -7.518 23 HB3 LYS 4 3HB LYS 4 0.650 10.530 -6.875 24 HG2 LYS 4 2HG LYS 4 2.238 8.941 -5.635 25 HG3 LYS 4 3HG LYS 4 3.547 10.012 -6.116 26 HD2 LYS 4 2HD LYS 4 1.311 10.486 -4.157 27 HD3 LYS 4 3HD LYS 4 3.045 10.705 -3.946 28 HE2 LYS 4 2HE LYS 4 1.219 12.506 -5.573 29 HE3 LYS 4 3HE LYS 4 1.861 12.848 -3.968 30 HZ1 LYS 4 3HZ LYS 4 4.117 12.762 -4.937 31 HZ2 LYS 4 1HZ LYS 4 3.167 13.995 -5.598 32 HZ3 LYS 4 2HZ LYS 4 3.446 12.583 -6.476 33 H ILE 5 H ILE 5 2.592 7.159 -7.354 34 HA ILE 5 HA ILE 5 -0.053 6.299 -6.412 35 HB ILE 5 HB ILE 5 0.462 3.912 -6.802 36 HG12 ILE 5 2HG1 ILE 5 2.893 4.826 -8.415 37 HG13 ILE 5 3HG1 ILE 5 2.964 4.076 -6.825 38 HG21 ILE 5 1HG2 ILE 5 -0.890 5.085 -8.489 39 HG22 ILE 5 2HG2 ILE 5 0.061 3.791 -9.218 40 HG23 ILE 5 3HG2 ILE 5 0.573 5.472 -9.408 41 HD11 ILE 5 3HD1 ILE 5 1.950 2.036 -7.765 42 HD12 ILE 5 1HD1 ILE 5 3.482 2.461 -8.525 43 HD13 ILE 5 2HD1 ILE 5 1.967 2.787 -9.364 44 H ILE 6 H ILE 6 0.024 5.295 -4.406 45 HA ILE 6 HA ILE 6 2.628 5.313 -2.972 46 HB ILE 6 HB ILE 6 -0.172 5.882 -1.880 47 HG12 ILE 6 2HG1 ILE 6 0.926 7.837 -2.952 48 HG13 ILE 6 3HG1 ILE 6 0.737 8.082 -1.225 49 HG21 ILE 6 1HG2 ILE 6 0.988 4.471 -0.264 50 HG22 ILE 6 2HG2 ILE 6 0.864 6.114 0.358 51 HG23 ILE 6 3HG2 ILE 6 2.398 5.535 -0.297 52 HD11 ILE 6 3HD1 ILE 6 2.859 8.929 -2.015 53 HD12 ILE 6 1HD1 ILE 6 3.291 7.339 -2.644 54 HD13 ILE 6 2HD1 ILE 6 3.118 7.584 -0.904 55 H VAL 7 H VAL 7 3.136 3.499 -1.869 56 HA VAL 7 HA VAL 7 1.348 1.142 -2.090 57 HB VAL 7 HB VAL 7 4.413 1.141 -2.256 58 HG11 VAL 7 1HG1 VAL 7 2.442 -1.178 -2.364 59 HG12 VAL 7 2HG1 VAL 7 3.600 -0.839 -1.075 60 HG13 VAL 7 3HG1 VAL 7 4.173 -1.297 -2.678 61 HG21 VAL 7 3HG2 VAL 7 4.117 0.368 -4.587 62 HG22 VAL 7 1HG2 VAL 7 3.371 1.950 -4.350 63 HG23 VAL 7 2HG2 VAL 7 2.363 0.504 -4.425 64 H ILE 8 H ILE 8 0.701 0.544 -0.137 65 HA ILE 8 HA ILE 8 2.257 1.365 2.246 66 HB ILE 8 HB ILE 8 -0.760 0.949 1.953 67 HG12 ILE 8 2HG1 ILE 8 0.961 3.413 2.500 68 HG13 ILE 8 3HG1 ILE 8 0.020 3.094 1.052 69 HG21 ILE 8 1HG2 ILE 8 0.802 1.607 4.482 70 HG22 ILE 8 2HG2 ILE 8 -0.026 0.084 4.146 71 HG23 ILE 8 3HG2 ILE 8 -0.955 1.570 4.336 72 HD11 ILE 8 3HD1 ILE 8 -1.036 4.765 2.397 73 HD12 ILE 8 1HD1 ILE 8 -1.064 3.692 3.797 74 HD13 ILE 8 2HD1 ILE 8 -2.035 3.315 2.373 75 H ILE 9 H ILE 9 2.930 -0.134 3.559 76 HA ILE 9 HA ILE 9 2.738 -2.956 2.806 77 HB ILE 9 HB ILE 9 4.770 -1.413 4.487 78 HG12 ILE 9 2HG1 ILE 9 6.415 -2.349 2.740 79 HG13 ILE 9 3HG1 ILE 9 5.017 -2.860 1.811 80 HG21 ILE 9 1HG2 ILE 9 4.424 -3.566 5.592 81 HG22 ILE 9 2HG2 ILE 9 6.013 -3.527 4.829 82 HG23 ILE 9 3HG2 ILE 9 4.694 -4.418 4.069 83 HD11 ILE 9 3HD1 ILE 9 5.990 -0.807 0.944 84 HD12 ILE 9 1HD1 ILE 9 5.742 -0.005 2.496 85 HD13 ILE 9 2HD1 ILE 9 4.353 -0.515 1.532 86 H SER 10 H SER 10 0.854 -3.549 3.736 87 HA SER 10 HA SER 10 0.084 -2.680 6.401 88 HB2 SER 10 2HB SER 10 -1.598 -2.622 4.618 89 HB3 SER 10 3HB SER 10 -1.369 -4.344 4.318 90 HG SER 10 HG SER 10 -3.104 -4.154 5.637 91 H SER 11 H SER 11 1.136 -3.770 7.937 92 HA SER 11 HA SER 11 1.032 -6.739 7.981 93 HB2 SER 11 2HB SER 11 3.212 -4.986 9.207 94 HB3 SER 11 3HB SER 11 3.208 -6.746 9.078 95 HG SER 11 HG SER 11 3.054 -5.102 6.791 96 H ASP 12 H ASP 12 -0.615 -7.113 9.336 97 HA ASP 12 HA ASP 12 -1.735 -7.490 11.242 98 HB2 ASP 12 2HB ASP 12 0.336 -7.695 12.500 99 HB3 ASP 12 3HB ASP 12 0.520 -5.951 12.591 100 H ASP 13 H ASP 13 -0.555 -4.143 11.663 101 HA ASP 13 HA ASP 13 -2.908 -3.121 12.813 102 HB2 ASP 13 2HB ASP 13 -0.764 -2.029 13.182 103 HB3 ASP 13 3HB ASP 13 -0.570 -1.709 11.461 104 H THR 14 H THR 14 -4.430 -1.660 12.056 105 HA THR 14 HA THR 14 -5.297 -2.080 9.274 106 HB THR 14 HB THR 14 -6.910 -1.229 11.718 107 HG1 THR 14 HG1 THR 14 -5.934 -3.668 10.979 108 HG21 THR 14 3HG2 THR 14 -7.812 -2.286 9.014 109 HG22 THR 14 1HG2 THR 14 -8.010 -0.629 9.597 110 HG23 THR 14 2HG2 THR 14 -8.870 -1.951 10.388 111 H THR 15 H THR 15 -4.333 0.460 11.520 112 HA THR 15 HA THR 15 -5.647 2.703 10.430 113 HB THR 15 HB THR 15 -2.893 2.783 11.729 114 HG1 THR 15 HG1 THR 15 -3.847 1.829 13.355 115 HG21 THR 15 3HG2 THR 15 -5.210 4.764 11.792 116 HG22 THR 15 1HG2 THR 15 -3.712 4.959 10.875 117 HG23 THR 15 2HG2 THR 15 -3.672 4.950 12.638 118 H LEU 16 H LEU 16 -2.792 0.996 9.443 119 HA LEU 16 HA LEU 16 -1.540 2.742 7.630 120 HB2 LEU 16 2HB LEU 16 -1.877 -0.286 7.531 121 HB3 LEU 16 3HB LEU 16 -0.727 0.604 6.550 122 HG LEU 16 HG LEU 16 -0.605 0.793 9.569 123 HD11 LEU 16 1HD1 LEU 16 0.971 -1.060 9.662 124 HD12 LEU 16 2HD1 LEU 16 0.709 -1.402 7.947 125 HD13 LEU 16 3HD1 LEU 16 -0.617 -1.596 9.102 126 HD21 LEU 16 3HD2 LEU 16 1.522 1.091 7.426 127 HD22 LEU 16 1HD2 LEU 16 1.765 1.287 9.165 128 HD23 LEU 16 2HD2 LEU 16 0.718 2.402 8.292 129 H GLU 17 H GLU 17 -4.192 0.463 7.198 130 HA GLU 17 HA GLU 17 -4.607 0.916 4.371 131 HB2 GLU 17 2HB GLU 17 -6.507 -0.485 6.294 132 HB3 GLU 17 3HB GLU 17 -6.304 -0.782 4.573 133 HG2 GLU 17 2HG GLU 17 -4.243 -1.938 4.911 134 HG3 GLU 17 3HG GLU 17 -4.106 -1.362 6.571 135 H GLU 18 H GLU 18 -5.889 2.094 7.411 136 HA GLU 18 HA GLU 18 -8.364 3.213 6.598 137 HB2 GLU 18 2HB GLU 18 -7.409 2.681 8.972 138 HB3 GLU 18 3HB GLU 18 -6.588 4.223 8.869 139 HG2 GLU 18 2HG GLU 18 -9.581 3.783 8.836 140 HG3 GLU 18 3HG GLU 18 -8.636 4.327 10.209 141 H LEU 19 H LEU 19 -5.110 4.552 7.047 142 HA LEU 19 HA LEU 19 -5.644 7.204 6.203 143 HB2 LEU 19 2HB LEU 19 -3.045 5.642 6.475 144 HB3 LEU 19 3HB LEU 19 -3.097 7.355 6.092 145 HG LEU 19 HG LEU 19 -4.222 6.145 8.653 146 HD11 LEU 19 1HD1 LEU 19 -1.580 7.603 8.288 147 HD12 LEU 19 2HD1 LEU 19 -1.789 5.882 8.620 148 HD13 LEU 19 3HD1 LEU 19 -2.276 7.069 9.824 149 HD21 LEU 19 3HD2 LEU 19 -3.789 9.049 7.892 150 HD22 LEU 19 1HD2 LEU 19 -4.348 8.458 9.459 151 HD23 LEU 19 2HD2 LEU 19 -5.344 8.220 8.027 152 H ALA 20 H ALA 20 -4.759 4.285 4.488 153 HA ALA 20 HA ALA 20 -3.750 5.189 2.072 154 HB1 ALA 20 3HB ALA 20 -5.609 2.827 2.493 155 HB2 ALA 20 1HB ALA 20 -3.861 2.812 2.724 156 HB3 ALA 20 2HB ALA 20 -4.537 3.067 1.113 157 H ARG 21 H ARG 21 -7.116 4.961 3.102 158 HA ARG 21 HA ARG 21 -8.436 5.654 0.698 159 HB2 ARG 21 2HB ARG 21 -9.604 4.630 2.591 160 HB3 ARG 21 3HB ARG 21 -9.251 6.012 3.620 161 HG2 ARG 21 2HG ARG 21 -10.756 7.422 2.319 162 HG3 ARG 21 3HG ARG 21 -11.019 6.121 1.154 163 HD2 ARG 21 2HD ARG 21 -12.907 6.369 2.731 164 HD3 ARG 21 3HD ARG 21 -12.150 4.780 2.855 165 HE ARG 21 HE ARG 21 -10.923 5.822 4.854 166 HH11 ARG 21 1HH1 ARG 21 -14.251 6.623 3.978 167 HH12 ARG 21 2HH1 ARG 21 -14.693 7.019 5.607 168 HH21 ARG 21 1HH2 ARG 21 -11.558 6.336 6.989 169 HH22 ARG 21 2HH2 ARG 21 -13.179 6.857 7.296 170 H LYS 22 H LYS 22 -7.019 7.610 3.262 171 HA LYS 22 HA LYS 22 -8.091 10.141 2.418 172 HB2 LYS 22 2HB LYS 22 -5.997 9.320 4.462 173 HB3 LYS 22 3HB LYS 22 -6.243 11.016 4.070 174 HG2 LYS 22 2HG LYS 22 -7.444 10.394 6.109 175 HG3 LYS 22 3HG LYS 22 -8.573 10.885 4.847 176 HD2 LYS 22 2HD LYS 22 -9.007 8.464 4.365 177 HD3 LYS 22 3HD LYS 22 -7.943 8.038 5.707 178 HE2 LYS 22 2HE LYS 22 -10.448 9.726 5.998 179 HE3 LYS 22 3HE LYS 22 -10.385 7.984 6.270 180 HZ1 LYS 22 3HZ LYS 22 -8.821 8.310 8.045 181 HZ2 LYS 22 1HZ LYS 22 -10.186 9.267 8.330 182 HZ3 LYS 22 2HZ LYS 22 -8.758 9.977 7.764 183 H ILE 23 H ILE 23 -4.963 8.432 1.992 184 HA ILE 23 HA ILE 23 -3.541 10.480 0.698 185 HB ILE 23 HB ILE 23 -3.240 7.462 0.728 186 HG12 ILE 23 2HG1 ILE 23 -0.892 8.100 1.561 187 HG13 ILE 23 3HG1 ILE 23 -1.440 9.765 1.607 188 HG21 ILE 23 1HG2 ILE 23 -1.592 9.262 -1.086 189 HG22 ILE 23 2HG2 ILE 23 -2.704 7.990 -1.596 190 HG23 ILE 23 3HG2 ILE 23 -1.233 7.572 -0.724 191 HD11 ILE 23 3HD1 ILE 23 -1.458 8.763 3.801 192 HD12 ILE 23 1HD1 ILE 23 -2.531 7.479 3.238 193 HD13 ILE 23 2HD1 ILE 23 -3.105 9.147 3.299 194 H LYS 24 H LYS 24 -5.415 7.758 -0.781 195 HA LYS 24 HA LYS 24 -4.930 8.591 -3.456 196 HB2 LYS 24 2HB LYS 24 -6.567 6.919 -4.173 197 HB3 LYS 24 3HB LYS 24 -5.424 6.265 -3.016 198 HG2 LYS 24 2HG LYS 24 -7.055 6.138 -1.298 199 HG3 LYS 24 3HG LYS 24 -8.175 7.189 -2.171 200 HD2 LYS 24 2HD LYS 24 -8.782 4.720 -2.211 201 HD3 LYS 24 3HD LYS 24 -8.661 5.487 -3.795 202 HE2 LYS 24 2HE LYS 24 -6.381 4.538 -4.052 203 HE3 LYS 24 3HE LYS 24 -6.556 3.731 -2.494 204 HZ1 LYS 24 3HZ LYS 24 -8.311 3.258 -4.852 205 HZ2 LYS 24 1HZ LYS 24 -8.365 2.437 -3.377 206 HZ3 LYS 24 2HZ LYS 24 -7.026 2.262 -4.390 207 H ASP 25 H ASP 25 -7.214 9.680 -1.170 208 HA ASP 25 HA ASP 25 -9.338 10.594 -2.740 209 HB2 ASP 25 2HB ASP 25 -9.312 10.539 -0.246 210 HB3 ASP 25 3HB ASP 25 -8.194 11.897 -0.232 211 H GLU 26 H GLU 26 -6.075 11.859 -2.522 212 HA GLU 26 HA GLU 26 -6.541 14.485 -3.562 213 HB2 GLU 26 2HB GLU 26 -4.018 12.781 -3.640 214 HB3 GLU 26 3HB GLU 26 -4.083 14.493 -4.030 215 HG2 GLU 26 2HG GLU 26 -4.651 13.248 -1.333 216 HG3 GLU 26 3HG GLU 26 -3.203 14.142 -1.787 217 H GLY 27 H GLY 27 -6.338 11.370 -5.071 218 HA2 GLY 27 2HA GLY 27 -7.422 11.186 -7.271 219 HA3 GLY 27 3HA GLY 27 -6.512 12.602 -7.777 220 H LEU 28 H LEU 28 -5.285 9.868 -5.888 221 HA LEU 28 HA LEU 28 -3.851 8.819 -8.250 222 HB2 LEU 28 2HB LEU 28 -1.888 8.289 -6.892 223 HB3 LEU 28 3HB LEU 28 -2.174 10.015 -6.939 224 HG LEU 28 HG LEU 28 -3.071 8.353 -4.557 225 HD11 LEU 28 1HD1 LEU 28 -0.966 8.896 -3.421 226 HD12 LEU 28 2HD1 LEU 28 -0.341 9.640 -4.894 227 HD13 LEU 28 3HD1 LEU 28 -0.673 7.907 -4.852 228 HD21 LEU 28 3HD2 LEU 28 -3.994 10.622 -4.714 229 HD22 LEU 28 1HD2 LEU 28 -2.366 11.298 -4.837 230 HD23 LEU 28 2HD2 LEU 28 -2.884 10.489 -3.355 231 H GLU 29 H GLU 29 -2.942 6.502 -7.663 232 HA GLU 29 HA GLU 29 -5.064 4.940 -6.339 233 HB2 GLU 29 2HB GLU 29 -4.472 4.342 -8.666 234 HB3 GLU 29 3HB GLU 29 -2.796 4.095 -8.200 235 HG2 GLU 29 2HG GLU 29 -3.974 1.962 -8.500 236 HG3 GLU 29 3HG GLU 29 -3.432 2.165 -6.835 237 H VAL 30 H VAL 30 -4.571 3.386 -4.734 238 HA VAL 30 HA VAL 30 -1.843 3.433 -3.576 239 HB VAL 30 HB VAL 30 -4.464 3.192 -2.013 240 HG11 VAL 30 1HG1 VAL 30 -2.798 1.661 -1.063 241 HG12 VAL 30 2HG1 VAL 30 -3.049 3.026 0.021 242 HG13 VAL 30 3HG1 VAL 30 -1.603 2.958 -0.989 243 HG21 VAL 30 3HG2 VAL 30 -3.771 5.268 -0.904 244 HG22 VAL 30 1HG2 VAL 30 -3.865 5.511 -2.648 245 HG23 VAL 30 2HG2 VAL 30 -2.295 5.324 -1.871 246 H TYR 31 H TYR 31 -0.904 1.551 -3.289 247 HA TYR 31 HA TYR 31 -2.294 -0.969 -3.980 248 HB2 TYR 31 2HB TYR 31 0.606 -0.087 -4.295 249 HB3 TYR 31 3HB TYR 31 0.118 -1.772 -4.426 250 HD1 TYR 31 HD2 TYR 31 -0.176 1.583 -6.052 251 HD2 TYR 31 HD1 TYR 31 -0.970 -2.600 -6.415 252 HE1 TYR 31 HE2 TYR 31 -0.710 1.880 -8.441 253 HE2 TYR 31 HE1 TYR 31 -1.508 -2.297 -8.785 254 HH TYR 31 HH TYR 31 -2.192 -0.603 -10.311 255 H ILE 32 H ILE 32 -2.758 -2.118 -2.213 256 HA ILE 32 HA ILE 32 -1.246 -1.734 0.283 257 HB ILE 32 HB ILE 32 -3.813 -3.320 -0.221 258 HG12 ILE 32 2HG1 ILE 32 -4.162 -0.869 -0.521 259 HG13 ILE 32 3HG1 ILE 32 -5.019 -1.480 0.887 260 HG21 ILE 32 1HG2 ILE 32 -4.037 -3.363 2.254 261 HG22 ILE 32 2HG2 ILE 32 -2.447 -2.613 2.403 262 HG23 ILE 32 3HG2 ILE 32 -2.600 -4.223 1.696 263 HD11 ILE 32 3HD1 ILE 32 -3.296 -0.550 2.350 264 HD12 ILE 32 1HD1 ILE 32 -4.006 0.686 1.313 265 HD13 ILE 32 2HD1 ILE 32 -2.412 0.038 0.939 266 H LEU 33 H LEU 33 0.380 -3.119 0.727 267 HA LEU 33 HA LEU 33 0.436 -5.802 -0.495 268 HB2 LEU 33 2HB LEU 33 2.648 -4.202 0.865 269 HB3 LEU 33 3HB LEU 33 2.834 -5.817 0.201 270 HG LEU 33 HG LEU 33 2.318 -3.254 -1.334 271 HD11 LEU 33 1HD1 LEU 33 4.649 -3.595 -0.684 272 HD12 LEU 33 2HD1 LEU 33 4.455 -3.736 -2.428 273 HD13 LEU 33 3HD1 LEU 33 4.650 -5.190 -1.444 274 HD21 LEU 33 3HD2 LEU 33 2.306 -4.600 -3.399 275 HD22 LEU 33 1HD2 LEU 33 0.941 -4.978 -2.351 276 HD23 LEU 33 2HD2 LEU 33 2.316 -6.079 -2.436 277 H LEU 34 H LEU 34 -0.626 -7.189 0.737 278 HA LEU 34 HA LEU 34 -0.807 -6.836 3.642 279 HB2 LEU 34 2HB LEU 34 -2.724 -7.520 1.809 280 HB3 LEU 34 3HB LEU 34 -2.168 -9.133 2.210 281 HG LEU 34 HG LEU 34 -4.184 -8.474 3.490 282 HD11 LEU 34 1HD1 LEU 34 -1.781 -8.787 5.316 283 HD12 LEU 34 2HD1 LEU 34 -2.683 -10.090 4.541 284 HD13 LEU 34 3HD1 LEU 34 -3.471 -9.080 5.748 285 HD21 LEU 34 3HD2 LEU 34 -3.816 -6.057 3.597 286 HD22 LEU 34 1HD2 LEU 34 -2.477 -6.285 4.724 287 HD23 LEU 34 2HD2 LEU 34 -4.121 -6.716 5.200 288 H LYS 35 H LYS 35 0.681 -7.870 4.873 289 HA LYS 35 HA LYS 35 2.255 -10.096 3.731 290 HB2 LYS 35 2HB LYS 35 2.778 -8.301 6.147 291 HB3 LYS 35 3HB LYS 35 3.849 -9.590 5.607 292 HG2 LYS 35 2HG LYS 35 4.209 -8.374 3.470 293 HG3 LYS 35 3HG LYS 35 3.146 -7.091 4.042 294 HD2 LYS 35 2HD LYS 35 5.356 -6.301 4.396 295 HD3 LYS 35 3HD LYS 35 4.757 -6.761 5.983 296 HE2 LYS 35 2HE LYS 35 6.563 -8.483 4.274 297 HE3 LYS 35 3HE LYS 35 7.131 -7.390 5.529 298 HZ1 LYS 35 3HZ LYS 35 5.426 -9.798 5.918 299 HZ2 LYS 35 1HZ LYS 35 5.822 -8.700 7.145 300 HZ3 LYS 35 2HZ LYS 35 7.038 -9.599 6.390 301 H ASP 36 H ASP 36 1.461 -12.023 4.246 302 HA ASP 36 HA ASP 36 0.829 -12.653 7.035 303 HB2 ASP 36 2HB ASP 36 -1.297 -12.141 5.586 304 HB3 ASP 36 3HB ASP 36 -0.970 -13.697 4.834 305 H LYS 37 H LYS 37 0.870 -15.026 7.421 306 HA LYS 37 HA LYS 37 2.899 -16.379 5.736 307 HB2 LYS 37 2HB LYS 37 1.985 -17.033 8.567 308 HB3 LYS 37 3HB LYS 37 3.278 -17.848 7.689 309 HG2 LYS 37 2HG LYS 37 4.546 -15.706 7.625 310 HG3 LYS 37 3HG LYS 37 3.279 -14.951 8.593 311 HD2 LYS 37 2HD LYS 37 5.020 -17.296 9.447 312 HD3 LYS 37 3HD LYS 37 5.199 -15.627 9.978 313 HE2 LYS 37 2HE LYS 37 2.801 -17.404 10.534 314 HE3 LYS 37 3HE LYS 37 4.076 -17.002 11.683 315 HZ1 LYS 37 3HZ LYS 37 2.189 -15.060 10.451 316 HZ2 LYS 37 1HZ LYS 37 3.420 -14.679 11.544 317 HZ3 LYS 37 2HZ LYS 37 2.126 -15.640 12.038 318 H ASP 38 H ASP 38 -0.401 -16.348 6.082 319 HA ASP 38 HA ASP 38 -0.766 -19.227 5.469 320 HB2 ASP 38 2HB ASP 38 -2.575 -17.403 7.130 321 HB3 ASP 38 3HB ASP 38 -2.961 -19.057 6.667 322 H GLU 39 H GLU 39 -3.228 -19.419 4.527 323 HA GLU 39 HA GLU 39 -3.367 -17.474 2.292 324 HB2 GLU 39 2HB GLU 39 -4.280 -19.168 0.873 325 HB3 GLU 39 3HB GLU 39 -2.871 -19.855 1.651 326 HG2 GLU 39 2HG GLU 39 -5.705 -20.402 2.573 327 HG3 GLU 39 3HG GLU 39 -4.866 -21.394 1.390 328 H LYS 40 H LYS 40 -5.268 -19.028 4.837 329 HA LYS 40 HA LYS 40 -7.853 -18.426 3.776 330 HB2 LYS 40 2HB LYS 40 -6.958 -19.178 6.591 331 HB3 LYS 40 3HB LYS 40 -8.648 -19.025 6.123 332 HG2 LYS 40 2HG LYS 40 -8.484 -20.899 4.613 333 HG3 LYS 40 3HG LYS 40 -6.729 -20.942 4.770 334 HD2 LYS 40 2HD LYS 40 -7.625 -22.775 6.051 335 HD3 LYS 40 3HD LYS 40 -7.008 -21.582 7.187 336 HE2 LYS 40 2HE LYS 40 -9.942 -21.841 6.451 337 HE3 LYS 40 3HE LYS 40 -9.204 -22.662 7.821 338 HZ1 LYS 40 3HZ LYS 40 -8.564 -20.419 8.672 339 HZ2 LYS 40 1HZ LYS 40 -10.233 -20.698 8.614 340 HZ3 LYS 40 2HZ LYS 40 -9.502 -19.732 7.441 341 H ARG 41 H ARG 41 -6.133 -17.034 6.579 342 HA ARG 41 HA ARG 41 -7.955 -14.906 7.069 343 HB2 ARG 41 2HB ARG 41 -6.516 -15.841 8.809 344 HB3 ARG 41 3HB ARG 41 -5.076 -15.377 7.919 345 HG2 ARG 41 2HG ARG 41 -5.713 -12.969 8.292 346 HG3 ARG 41 3HG ARG 41 -7.019 -13.530 9.343 347 HD2 ARG 41 2HD ARG 41 -4.907 -12.894 10.574 348 HD3 ARG 41 3HD ARG 41 -5.442 -14.555 10.871 349 HE ARG 41 HE ARG 41 -3.422 -14.039 8.787 350 HH11 ARG 41 1HH1 ARG 41 -4.121 -15.481 11.945 351 HH12 ARG 41 2HH1 ARG 41 -2.638 -16.381 11.964 352 HH21 ARG 41 1HH2 ARG 41 -1.552 -15.254 8.832 353 HH22 ARG 41 2HH2 ARG 41 -1.187 -16.253 10.205 354 H LEU 42 H LEU 42 -4.750 -15.041 5.502 355 HA LEU 42 HA LEU 42 -4.312 -12.491 4.652 356 HB2 LEU 42 2HB LEU 42 -2.737 -14.297 4.252 357 HB3 LEU 42 3HB LEU 42 -3.864 -15.109 3.183 358 HG LEU 42 HG LEU 42 -3.605 -13.226 1.534 359 HD11 LEU 42 1HD1 LEU 42 -1.798 -11.615 1.739 360 HD12 LEU 42 2HD1 LEU 42 -1.418 -12.206 3.356 361 HD13 LEU 42 3HD1 LEU 42 -2.967 -11.422 3.044 362 HD21 LEU 42 3HD2 LEU 42 -1.008 -14.600 2.286 363 HD22 LEU 42 1HD2 LEU 42 -1.417 -13.912 0.715 364 HD23 LEU 42 2HD2 LEU 42 -2.306 -15.303 1.319 365 H GLU 43 H GLU 43 -6.176 -14.958 2.807 366 HA GLU 43 HA GLU 43 -6.705 -13.216 0.615 367 HB2 GLU 43 2HB GLU 43 -6.623 -15.640 0.280 368 HB3 GLU 43 3HB GLU 43 -8.020 -15.875 1.324 369 HG2 GLU 43 2HG GLU 43 -9.472 -14.771 -0.289 370 HG3 GLU 43 3HG GLU 43 -8.094 -14.307 -1.280 371 H GLU 44 H GLU 44 -8.468 -13.961 3.589 372 HA GLU 44 HA GLU 44 -10.990 -12.858 2.857 373 HB2 GLU 44 2HB GLU 44 -9.619 -13.245 5.557 374 HB3 GLU 44 3HB GLU 44 -11.193 -12.474 5.430 375 HG2 GLU 44 2HG GLU 44 -10.547 -15.290 4.526 376 HG3 GLU 44 3HG GLU 44 -11.368 -14.850 6.023 377 H LYS 45 H LYS 45 -8.258 -11.525 4.711 378 HA LYS 45 HA LYS 45 -9.104 -8.952 5.101 379 HB2 LYS 45 2HB LYS 45 -7.092 -10.159 6.132 380 HB3 LYS 45 3HB LYS 45 -6.199 -9.777 4.661 381 HG2 LYS 45 2HG LYS 45 -5.654 -8.141 6.352 382 HG3 LYS 45 3HG LYS 45 -6.609 -7.348 5.094 383 HD2 LYS 45 2HD LYS 45 -8.659 -7.765 6.584 384 HD3 LYS 45 3HD LYS 45 -7.527 -8.217 7.859 385 HE2 LYS 45 2HE LYS 45 -7.663 -5.546 6.452 386 HE3 LYS 45 3HE LYS 45 -8.242 -5.895 8.077 387 HZ1 LYS 45 3HZ LYS 45 -6.089 -4.816 8.113 388 HZ2 LYS 45 1HZ LYS 45 -5.419 -6.053 7.177 389 HZ3 LYS 45 2HZ LYS 45 -5.972 -6.387 8.739 390 H ILE 46 H ILE 46 -7.141 -10.234 2.423 391 HA ILE 46 HA ILE 46 -6.645 -7.943 0.933 392 HB ILE 46 HB ILE 46 -7.012 -10.832 0.011 393 HG12 ILE 46 2HG1 ILE 46 -4.510 -9.122 0.427 394 HG13 ILE 46 3HG1 ILE 46 -5.031 -10.465 1.430 395 HG21 ILE 46 1HG2 ILE 46 -6.010 -10.242 -2.171 396 HG22 ILE 46 2HG2 ILE 46 -6.035 -8.536 -1.724 397 HG23 ILE 46 3HG2 ILE 46 -7.551 -9.414 -1.922 398 HD11 ILE 46 3HD1 ILE 46 -3.174 -11.108 0.029 399 HD12 ILE 46 1HD1 ILE 46 -4.068 -10.651 -1.422 400 HD13 ILE 46 2HD1 ILE 46 -4.618 -12.007 -0.435 401 H GLN 47 H GLN 47 -9.448 -10.199 0.692 402 HA GLN 47 HA GLN 47 -10.718 -8.806 -1.448 403 HB2 GLN 47 2HB GLN 47 -11.985 -10.753 0.524 404 HB3 GLN 47 3HB GLN 47 -12.682 -10.236 -1.006 405 HG2 GLN 47 2HG GLN 47 -10.241 -11.962 -0.591 406 HG3 GLN 47 3HG GLN 47 -11.784 -12.441 -1.270 407 HE21 GLN 47 1HE2 GLN 47 -12.031 -10.131 -3.054 408 HE22 GLN 47 2HE2 GLN 47 -10.855 -10.364 -4.298 409 H LYS 48 H LYS 48 -10.897 -8.442 2.065 410 HA LYS 48 HA LYS 48 -13.310 -6.916 2.192 411 HB2 LYS 48 2HB LYS 48 -10.944 -6.737 4.113 412 HB3 LYS 48 3HB LYS 48 -12.593 -6.235 4.446 413 HG2 LYS 48 2HG LYS 48 -11.494 -9.032 4.212 414 HG3 LYS 48 3HG LYS 48 -12.263 -8.278 5.602 415 HD2 LYS 48 2HD LYS 48 -14.438 -8.310 4.432 416 HD3 LYS 48 3HD LYS 48 -13.670 -9.013 3.004 417 HE2 LYS 48 2HE LYS 48 -13.042 -11.011 4.361 418 HE3 LYS 48 3HE LYS 48 -13.889 -10.313 5.744 419 HZ1 LYS 48 3HZ LYS 48 -15.253 -11.928 4.565 420 HZ2 LYS 48 1HZ LYS 48 -15.143 -11.018 3.143 421 HZ3 LYS 48 2HZ LYS 48 -15.944 -10.384 4.491 422 H LEU 49 H LEU 49 -9.895 -6.068 1.884 423 HA LEU 49 HA LEU 49 -10.222 -3.222 1.858 424 HB2 LEU 49 2HB LEU 49 -7.947 -4.953 0.852 425 HB3 LEU 49 3HB LEU 49 -7.851 -3.221 1.118 426 HG LEU 49 HG LEU 49 -8.366 -5.257 3.314 427 HD11 LEU 49 1HD1 LEU 49 -5.751 -3.911 2.570 428 HD12 LEU 49 2HD1 LEU 49 -6.158 -5.611 2.320 429 HD13 LEU 49 3HD1 LEU 49 -6.023 -4.973 3.955 430 HD21 LEU 49 3HD2 LEU 49 -7.850 -3.403 4.848 431 HD22 LEU 49 1HD2 LEU 49 -9.246 -3.034 3.835 432 HD23 LEU 49 2HD2 LEU 49 -7.679 -2.303 3.478 433 H LYS 50 H LYS 50 -9.921 -5.708 -0.726 434 HA LYS 50 HA LYS 50 -9.858 -3.916 -2.927 435 HB2 LYS 50 2HB LYS 50 -10.706 -6.844 -2.777 436 HB3 LYS 50 3HB LYS 50 -10.562 -5.947 -4.283 437 HG2 LYS 50 2HG LYS 50 -8.120 -5.563 -3.718 438 HG3 LYS 50 3HG LYS 50 -8.332 -6.666 -2.359 439 HD2 LYS 50 2HD LYS 50 -7.373 -7.883 -4.252 440 HD3 LYS 50 3HD LYS 50 -9.013 -8.467 -3.957 441 HE2 LYS 50 2HE LYS 50 -9.853 -7.109 -5.818 442 HE3 LYS 50 3HE LYS 50 -8.243 -6.437 -6.076 443 HZ1 LYS 50 3HZ LYS 50 -7.483 -8.746 -6.530 444 HZ2 LYS 50 1HZ LYS 50 -8.585 -8.144 -7.662 445 HZ3 LYS 50 2HZ LYS 50 -9.094 -9.251 -6.491 446 H SER 51 H SER 51 -12.486 -5.446 -1.142 447 HA SER 51 HA SER 51 -14.685 -4.678 -2.667 448 HB2 SER 51 2HB SER 51 -14.856 -6.224 -0.767 449 HB3 SER 51 3HB SER 51 -14.435 -4.939 0.361 450 HG SER 51 HG SER 51 -16.467 -4.408 0.401 451 H GLN 52 H GLN 52 -12.807 -2.836 -0.306 452 HA GLN 52 HA GLN 52 -14.400 -0.426 -0.395 453 HB2 GLN 52 2HB GLN 52 -11.509 -0.766 0.522 454 HB3 GLN 52 3HB GLN 52 -12.553 0.605 0.875 455 HG2 GLN 52 2HG GLN 52 -14.000 -0.800 2.250 456 HG3 GLN 52 3HG GLN 52 -13.053 -2.225 1.829 457 HE21 GLN 52 1HE2 GLN 52 -10.453 -0.950 2.060 458 HE22 GLN 52 2HE2 GLN 52 -10.185 -0.665 3.740 459 H GLY 53 H GLY 53 -12.086 -1.804 -2.495 460 HA2 GLY 53 2HA GLY 53 -11.674 -1.079 -4.690 461 HA3 GLY 53 3HA GLY 53 -12.083 0.566 -4.232 462 H PHE 54 H PHE 54 -9.747 -1.871 -3.041 463 HA PHE 54 HA PHE 54 -7.508 -0.000 -3.593 464 HB2 PHE 54 2HB PHE 54 -7.829 -1.923 -1.239 465 HB3 PHE 54 3HB PHE 54 -6.299 -1.158 -1.656 466 HD1 PHE 54 HD2 PHE 54 -6.050 1.330 -1.453 467 HD2 PHE 54 HD1 PHE 54 -9.533 -0.699 -0.023 468 HE1 PHE 54 HE2 PHE 54 -6.652 3.293 -0.100 469 HE2 PHE 54 HE1 PHE 54 -10.125 1.273 1.323 470 HZ PHE 54 HZ PHE 54 -8.684 3.268 1.285 471 H GLU 55 H GLU 55 -5.749 -0.834 -4.641 472 HA GLU 55 HA GLU 55 -5.914 -3.465 -5.853 473 HB2 GLU 55 2HB GLU 55 -3.799 -1.276 -6.038 474 HB3 GLU 55 3HB GLU 55 -3.740 -2.778 -6.948 475 HG2 GLU 55 2HG GLU 55 -5.893 -0.657 -7.184 476 HG3 GLU 55 3HG GLU 55 -4.566 -0.908 -8.318 477 H VAL 56 H VAL 56 -5.801 -4.844 -4.052 478 HA VAL 56 HA VAL 56 -3.441 -4.727 -2.285 479 HB VAL 56 HB VAL 56 -5.820 -6.619 -1.998 480 HG11 VAL 56 1HG1 VAL 56 -3.832 -7.259 -0.689 481 HG12 VAL 56 2HG1 VAL 56 -5.132 -6.728 0.378 482 HG13 VAL 56 3HG1 VAL 56 -3.772 -5.653 0.043 483 HG21 VAL 56 3HG2 VAL 56 -5.515 -3.865 -0.757 484 HG22 VAL 56 1HG2 VAL 56 -6.820 -5.012 -0.460 485 HG23 VAL 56 2HG2 VAL 56 -6.632 -4.293 -2.055 486 H ARG 57 H ARG 57 -1.896 -6.246 -2.262 487 HA ARG 57 HA ARG 57 -2.089 -8.630 -4.001 488 HB2 ARG 57 2HB ARG 57 0.317 -6.749 -3.856 489 HB3 ARG 57 3HB ARG 57 0.276 -8.274 -4.728 490 HG2 ARG 57 2HG ARG 57 -1.372 -5.814 -5.365 491 HG3 ARG 57 3HG ARG 57 0.035 -6.392 -6.249 492 HD2 ARG 57 2HD ARG 57 -1.197 -8.437 -6.874 493 HD3 ARG 57 3HD ARG 57 -2.614 -7.846 -6.001 494 HE ARG 57 HE ARG 57 -1.562 -6.869 -8.546 495 HH11 ARG 57 1HH1 ARG 57 -3.936 -6.441 -5.983 496 HH12 ARG 57 2HH1 ARG 57 -4.961 -5.424 -6.944 497 HH21 ARG 57 1HH2 ARG 57 -2.888 -5.486 -9.771 498 HH22 ARG 57 2HH2 ARG 57 -4.363 -4.879 -9.089 499 H LYS 58 H LYS 58 -0.365 -10.178 -3.552 500 HA LYS 58 HA LYS 58 0.127 -10.537 -0.667 501 HB2 LYS 58 2HB LYS 58 -1.094 -12.297 -2.041 502 HB3 LYS 58 3HB LYS 58 0.381 -12.553 -2.954 503 HG2 LYS 58 2HG LYS 58 0.293 -12.927 0.045 504 HG3 LYS 58 3HG LYS 58 -0.213 -14.206 -1.054 505 HD2 LYS 58 2HD LYS 58 2.013 -14.332 -2.023 506 HD3 LYS 58 3HD LYS 58 2.540 -12.924 -1.097 507 HE2 LYS 58 2HE LYS 58 1.735 -15.615 0.056 508 HE3 LYS 58 3HE LYS 58 3.378 -14.991 -0.080 509 HZ1 LYS 58 3HZ LYS 58 2.486 -14.722 2.154 510 HZ2 LYS 58 1HZ LYS 58 1.217 -13.779 1.555 511 HZ3 LYS 58 2HZ LYS 58 2.808 -13.216 1.449 512 H VAL 59 H VAL 59 2.124 -10.177 0.073 513 HA VAL 59 HA VAL 59 4.483 -10.684 -1.640 514 HB VAL 59 HB VAL 59 5.695 -8.879 -0.320 515 HG11 VAL 59 1HG1 VAL 59 4.860 -6.995 -1.665 516 HG12 VAL 59 2HG1 VAL 59 3.383 -7.889 -2.034 517 HG13 VAL 59 3HG1 VAL 59 4.939 -8.469 -2.631 518 HG21 VAL 59 3HG2 VAL 59 4.341 -7.148 0.833 519 HG22 VAL 59 1HG2 VAL 59 4.169 -8.728 1.601 520 HG23 VAL 59 2HG2 VAL 59 2.883 -8.106 0.564 521 H LYS 60 H LYS 60 6.357 -11.432 -0.418 522 HA LYS 60 HA LYS 60 5.669 -13.129 1.838 523 HB2 LYS 60 2HB LYS 60 8.439 -12.691 0.650 524 HB3 LYS 60 3HB LYS 60 7.907 -14.038 1.644 525 HG2 LYS 60 2HG LYS 60 6.420 -14.787 -0.200 526 HG3 LYS 60 3HG LYS 60 7.019 -13.455 -1.196 527 HD2 LYS 60 2HD LYS 60 9.349 -14.378 -0.906 528 HD3 LYS 60 3HD LYS 60 8.646 -15.770 -0.079 529 HE2 LYS 60 2HE LYS 60 8.087 -14.958 -2.948 530 HE3 LYS 60 3HE LYS 60 9.174 -16.246 -2.431 531 HZ1 LYS 60 3HZ LYS 60 6.975 -17.054 -3.121 532 HZ2 LYS 60 1HZ LYS 60 6.261 -16.190 -1.855 533 HZ3 LYS 60 2HZ LYS 60 7.335 -17.453 -1.518 534 H ASP 61 H ASP 61 8.423 -10.893 1.360 535 HA ASP 61 HA ASP 61 7.843 -9.538 3.886 536 HB2 ASP 61 2HB ASP 61 9.475 -11.578 4.231 537 HB3 ASP 61 3HB ASP 61 10.679 -10.543 3.482 538 H ASP 62 H ASP 62 10.157 -7.925 4.024 539 HA ASP 62 HA ASP 62 9.191 -5.939 2.155 540 HB2 ASP 62 2HB ASP 62 9.708 -5.351 4.505 541 HB3 ASP 62 3HB ASP 62 11.412 -5.685 4.225 542 H ASP 63 H ASP 63 11.922 -8.025 2.326 543 HA ASP 63 HA ASP 63 13.656 -6.953 0.406 544 HB2 ASP 63 2HB ASP 63 12.991 -9.916 0.720 545 HB3 ASP 63 3HB ASP 63 14.468 -9.236 0.042 546 H ASP 64 H ASP 64 10.834 -9.060 -0.009 547 HA ASP 64 HA ASP 64 10.798 -9.173 -2.857 548 HB2 ASP 64 2HB ASP 64 8.491 -9.600 -0.887 549 HB3 ASP 64 3HB ASP 64 8.532 -10.146 -2.560 550 H ILE 65 H ILE 65 9.349 -7.123 -0.470 551 HA ILE 65 HA ILE 65 7.556 -5.629 -2.082 552 HB ILE 65 HB ILE 65 8.910 -4.955 0.561 553 HG12 ILE 65 2HG1 ILE 65 6.064 -5.869 -0.084 554 HG13 ILE 65 3HG1 ILE 65 7.342 -6.900 0.541 555 HG21 ILE 65 1HG2 ILE 65 7.274 -3.150 0.885 556 HG22 ILE 65 2HG2 ILE 65 6.670 -3.384 -0.754 557 HG23 ILE 65 3HG2 ILE 65 8.322 -2.828 -0.496 558 HD11 ILE 65 3HD1 ILE 65 7.374 -5.559 2.605 559 HD12 ILE 65 1HD1 ILE 65 5.814 -6.316 2.289 560 HD13 ILE 65 2HD1 ILE 65 6.037 -4.598 1.974 561 H ASP 66 H ASP 66 11.007 -4.953 -1.213 562 HA ASP 66 HA ASP 66 11.288 -2.529 -2.604 563 HB2 ASP 66 2HB ASP 66 13.279 -4.694 -1.861 564 HB3 ASP 66 3HB ASP 66 13.797 -3.371 -2.903 565 H LYS 67 H LYS 67 11.532 -5.848 -3.738 566 HA LYS 67 HA LYS 67 12.300 -5.251 -6.432 567 HB2 LYS 67 2HB LYS 67 10.943 -7.739 -5.301 568 HB3 LYS 67 3HB LYS 67 11.631 -7.611 -6.914 569 HG2 LYS 67 2HG LYS 67 13.885 -7.174 -5.808 570 HG3 LYS 67 3HG LYS 67 13.125 -7.599 -4.274 571 HD2 LYS 67 2HD LYS 67 13.355 -9.405 -6.716 572 HD3 LYS 67 3HD LYS 67 14.305 -9.543 -5.238 573 HE2 LYS 67 2HE LYS 67 12.325 -10.139 -3.959 574 HE3 LYS 67 3HE LYS 67 11.284 -9.828 -5.352 575 HZ1 LYS 67 3HZ LYS 67 11.654 -12.182 -5.090 576 HZ2 LYS 67 1HZ LYS 67 13.333 -11.976 -5.142 577 HZ3 LYS 67 2HZ LYS 67 12.399 -11.656 -6.514 578 H TRP 68 H TRP 68 9.266 -5.596 -4.739 579 HA TRP 68 HA TRP 68 7.539 -5.851 -6.980 580 HB2 TRP 68 2HB TRP 68 7.064 -6.568 -4.563 581 HB3 TRP 68 3HB TRP 68 6.768 -4.875 -4.187 582 HD1 TRP 68 HD1 TRP 68 5.180 -7.896 -5.895 583 HE1 TRP 68 HE1 TRP 68 2.750 -7.340 -6.498 584 HE3 TRP 68 HE3 TRP 68 5.193 -2.900 -4.829 585 HZ2 TRP 68 HZ2 TRP 68 1.077 -5.070 -6.555 586 HZ3 TRP 68 HZ3 TRP 68 3.135 -1.612 -5.177 587 HH2 TRP 68 HH2 TRP 68 1.121 -2.688 -6.019 588 H ILE 69 H ILE 69 8.734 -3.077 -5.118 589 HA ILE 69 HA ILE 69 7.192 -1.092 -6.569 590 HB ILE 69 HB ILE 69 9.357 -1.003 -4.450 591 HG12 ILE 69 2HG1 ILE 69 7.635 0.529 -3.331 592 HG13 ILE 69 3HG1 ILE 69 6.552 0.177 -4.665 593 HG21 ILE 69 1HG2 ILE 69 10.168 0.716 -5.989 594 HG22 ILE 69 2HG2 ILE 69 9.509 1.466 -4.536 595 HG23 ILE 69 3HG2 ILE 69 8.572 1.474 -6.031 596 HD11 ILE 69 3HD1 ILE 69 7.614 -1.790 -2.640 597 HD12 ILE 69 1HD1 ILE 69 6.578 -2.204 -4.005 598 HD13 ILE 69 2HD1 ILE 69 5.981 -1.139 -2.737 599 H ASP 70 H ASP 70 10.379 -2.547 -6.737 600 HA ASP 70 HA ASP 70 11.715 -0.735 -8.395 601 HB2 ASP 70 2HB ASP 70 12.878 -2.468 -7.074 602 HB3 ASP 70 3HB ASP 70 12.176 -3.730 -8.079 603 H LYS 71 H LYS 71 9.782 -3.600 -9.190 604 HA LYS 71 HA LYS 71 10.214 -3.613 -11.969 605 HB2 LYS 71 2HB LYS 71 8.218 -5.040 -12.159 606 HB3 LYS 71 3HB LYS 71 9.232 -5.558 -10.817 607 HG2 LYS 71 2HG LYS 71 7.711 -4.662 -9.196 608 HG3 LYS 71 3HG LYS 71 6.804 -3.792 -10.431 609 HD2 LYS 71 2HD LYS 71 5.552 -5.750 -9.679 610 HD3 LYS 71 3HD LYS 71 6.012 -5.934 -11.371 611 HE2 LYS 71 2HE LYS 71 7.889 -7.396 -10.665 612 HE3 LYS 71 3HE LYS 71 7.351 -7.242 -8.989 613 HZ1 LYS 71 3HZ LYS 71 5.304 -8.318 -9.522 614 HZ2 LYS 71 1HZ LYS 71 6.561 -9.279 -10.119 615 HZ3 LYS 71 2HZ LYS 71 5.652 -8.325 -11.179 616 H ILE 72 H ILE 72 7.812 -1.882 -9.982 617 HA ILE 72 HA ILE 72 6.149 -0.981 -12.123 618 HB ILE 72 HB ILE 72 6.458 0.273 -9.345 619 HG12 ILE 72 2HG1 ILE 72 4.429 -1.823 -10.274 620 HG13 ILE 72 3HG1 ILE 72 5.801 -2.141 -9.220 621 HG21 ILE 72 1HG2 ILE 72 4.202 1.215 -9.726 622 HG22 ILE 72 2HG2 ILE 72 4.181 0.532 -11.352 623 HG23 ILE 72 3HG2 ILE 72 5.346 1.790 -10.939 624 HD11 ILE 72 3HD1 ILE 72 3.452 -0.359 -8.569 625 HD12 ILE 72 1HD1 ILE 72 4.833 -0.673 -7.515 626 HD13 ILE 72 2HD1 ILE 72 3.743 -1.985 -7.957 627 H LYS 73 H LYS 73 9.023 0.327 -10.530 628 HA LYS 73 HA LYS 73 9.078 2.893 -11.678 629 HB2 LYS 73 2HB LYS 73 11.469 1.146 -10.998 630 HB3 LYS 73 3HB LYS 73 11.523 2.881 -11.283 631 HG2 LYS 73 2HG LYS 73 10.000 3.181 -9.294 632 HG3 LYS 73 3HG LYS 73 10.180 1.456 -8.966 633 HD2 LYS 73 2HD LYS 73 12.389 3.555 -8.960 634 HD3 LYS 73 3HD LYS 73 11.734 2.707 -7.558 635 HE2 LYS 73 2HE LYS 73 12.615 0.574 -8.456 636 HE3 LYS 73 3HE LYS 73 13.288 1.438 -9.837 637 HZ1 LYS 73 3HZ LYS 73 14.699 2.682 -8.316 638 HZ2 LYS 73 1HZ LYS 73 14.960 1.019 -8.151 639 HZ3 LYS 73 2HZ LYS 73 14.048 1.853 -6.996 640 H LYS 74 H LYS 74 10.087 -0.235 -13.013 641 HA LYS 74 HA LYS 74 11.346 0.884 -15.379 642 HB2 LYS 74 2HB LYS 74 12.164 -1.230 -14.355 643 HB3 LYS 74 3HB LYS 74 10.617 -2.000 -14.687 644 HG2 LYS 74 2HG LYS 74 11.036 -1.633 -17.145 645 HG3 LYS 74 3HG LYS 74 12.645 -1.040 -16.737 646 HD2 LYS 74 2HD LYS 74 11.554 -3.831 -16.236 647 HD3 LYS 74 3HD LYS 74 12.750 -3.378 -17.447 648 HE2 LYS 74 2HE LYS 74 13.124 -3.237 -14.440 649 HE3 LYS 74 3HE LYS 74 13.805 -4.458 -15.510 650 HZ1 LYS 74 3HZ LYS 74 15.103 -2.753 -16.599 651 HZ2 LYS 74 1HZ LYS 74 15.412 -2.751 -14.937 652 HZ3 LYS 74 2HZ LYS 74 14.429 -1.555 -15.613 653 H GLU 75 H GLU 75 8.385 -0.933 -14.634 654 HA GLU 75 HA GLU 75 7.412 -1.227 -17.282 655 HB2 GLU 75 2HB GLU 75 5.874 -1.344 -14.642 656 HB3 GLU 75 3HB GLU 75 5.261 -1.892 -16.195 657 HG2 GLU 75 2HG GLU 75 7.552 -3.086 -14.631 658 HG3 GLU 75 3HG GLU 75 5.961 -3.795 -14.892 659 H ARG 76 H ARG 76 6.771 1.089 -14.716 660 HA ARG 76 HA ARG 76 5.126 2.772 -16.512 661 HB2 ARG 76 2HB ARG 76 4.653 2.316 -13.525 662 HB3 ARG 76 3HB ARG 76 3.624 3.223 -14.628 663 HG2 ARG 76 2HG ARG 76 2.990 1.157 -15.791 664 HG3 ARG 76 3HG ARG 76 4.112 0.227 -14.798 665 HD2 ARG 76 2HD ARG 76 1.850 -0.101 -13.981 666 HD3 ARG 76 3HD ARG 76 2.769 0.816 -12.783 667 HE ARG 76 HE ARG 76 1.412 2.595 -14.502 668 HH11 ARG 76 1HH1 ARG 76 0.697 0.322 -11.899 669 HH12 ARG 76 2HH1 ARG 76 -0.723 1.174 -11.392 670 HH21 ARG 76 1HH2 ARG 76 -0.429 3.726 -13.788 671 HH22 ARG 76 2HH2 ARG 76 -1.362 3.110 -12.465 672 HA PRO 77 HA PRO 77 8.698 5.151 -14.540 673 HB2 PRO 77 2HB PRO 77 10.055 5.934 -16.725 674 HB3 PRO 77 3HB PRO 77 10.146 4.250 -16.168 675 HG2 PRO 77 2HG PRO 77 8.503 5.404 -18.395 676 HG3 PRO 77 3HG PRO 77 9.469 3.912 -18.373 677 HD2 PRO 77 2HD PRO 77 6.730 3.983 -17.951 678 HD3 PRO 77 3HD PRO 77 7.798 2.694 -17.358 679 H GLN 78 H GLN 78 5.893 5.953 -15.739 680 HA GLN 78 HA GLN 78 6.333 8.831 -16.202 681 HB2 GLN 78 2HB GLN 78 3.847 7.124 -16.662 682 HB3 GLN 78 3HB GLN 78 4.031 8.816 -17.109 683 HG2 GLN 78 2HG GLN 78 5.616 6.504 -18.268 684 HG3 GLN 78 3HG GLN 78 4.261 7.315 -19.048 685 HE21 GLN 78 1HE2 GLN 78 7.100 7.013 -19.893 686 HE22 GLN 78 2HE2 GLN 78 7.673 8.621 -20.165 687 H LEU 79 H LEU 79 5.783 6.837 -13.639 688 HA LEU 79 HA LEU 79 4.431 8.954 -12.110 689 HB2 LEU 79 2HB LEU 79 3.223 7.162 -10.778 690 HB3 LEU 79 3HB LEU 79 2.648 7.472 -12.400 691 HG LEU 79 HG LEU 79 3.954 5.383 -13.132 692 HD11 LEU 79 1HD1 LEU 79 4.411 3.663 -11.466 693 HD12 LEU 79 2HD1 LEU 79 3.999 4.782 -10.163 694 HD13 LEU 79 3HD1 LEU 79 5.408 5.093 -11.183 695 HD21 LEU 79 3HD2 LEU 79 2.137 3.875 -12.498 696 HD22 LEU 79 1HD2 LEU 79 1.512 5.458 -12.960 697 HD23 LEU 79 2HD2 LEU 79 1.600 5.009 -11.255 698 H GLU 80 H GLU 80 4.641 8.560 -9.725 699 HA GLU 80 HA GLU 80 7.396 7.710 -9.040 700 HB2 GLU 80 2HB GLU 80 7.060 9.452 -7.124 701 HB3 GLU 80 3HB GLU 80 7.349 10.071 -8.747 702 HG2 GLU 80 2HG GLU 80 5.010 10.552 -9.040 703 HG3 GLU 80 3HG GLU 80 4.611 9.771 -7.519 704 H VAL 81 H VAL 81 7.640 6.375 -7.260 705 HA VAL 81 HA VAL 81 5.172 5.278 -6.014 706 HB VAL 81 HB VAL 81 7.694 3.637 -6.559 707 HG11 VAL 81 1HG1 VAL 81 6.204 2.781 -4.810 708 HG12 VAL 81 2HG1 VAL 81 6.219 1.705 -6.205 709 HG13 VAL 81 3HG1 VAL 81 4.845 2.782 -5.939 710 HG21 VAL 81 3HG2 VAL 81 6.623 2.635 -8.534 711 HG22 VAL 81 1HG2 VAL 81 6.855 4.369 -8.756 712 HG23 VAL 81 2HG2 VAL 81 5.253 3.738 -8.375 713 H ARG 82 H ARG 82 5.186 5.297 -3.804 714 HA ARG 82 HA ARG 82 7.773 5.495 -2.356 715 HB2 ARG 82 2HB ARG 82 6.716 7.696 -2.278 716 HB3 ARG 82 3HB ARG 82 5.193 6.996 -1.746 717 HG2 ARG 82 2HG ARG 82 6.368 8.084 0.118 718 HG3 ARG 82 3HG ARG 82 6.203 6.351 0.396 719 HD2 ARG 82 2HD ARG 82 8.571 6.070 -0.429 720 HD3 ARG 82 3HD ARG 82 8.716 7.828 -0.483 721 HE ARG 82 HE ARG 82 8.663 6.103 1.866 722 HH11 ARG 82 1HH1 ARG 82 8.480 9.447 0.738 723 HH12 ARG 82 2HH1 ARG 82 8.899 10.103 2.290 724 HH21 ARG 82 1HH2 ARG 82 9.270 6.990 3.855 725 HH22 ARG 82 2HH2 ARG 82 9.349 8.709 4.050 726 H LYS 83 H LYS 83 8.076 3.815 -1.041 727 HA LYS 83 HA LYS 83 6.010 2.052 -0.108 728 HB2 LYS 83 2HB LYS 83 8.899 2.270 0.848 729 HB3 LYS 83 3HB LYS 83 7.790 0.957 1.215 730 HG2 LYS 83 2HG LYS 83 7.712 0.638 -1.391 731 HG3 LYS 83 3HG LYS 83 9.201 1.583 -1.373 732 HD2 LYS 83 2HD LYS 83 8.705 -1.059 0.053 733 HD3 LYS 83 3HD LYS 83 9.749 -0.795 -1.340 734 HE2 LYS 83 2HE LYS 83 11.301 0.498 -0.014 735 HE3 LYS 83 3HE LYS 83 10.205 0.483 1.374 736 HZ1 LYS 83 3HZ LYS 83 11.531 -1.902 0.192 737 HZ2 LYS 83 1HZ LYS 83 10.474 -1.925 1.507 738 HZ3 LYS 83 2HZ LYS 83 11.970 -1.151 1.636 739 H VAL 84 H VAL 84 4.866 2.198 1.679 740 HA VAL 84 HA VAL 84 5.681 3.950 3.933 741 HB VAL 84 HB VAL 84 2.891 3.351 2.826 742 HG11 VAL 84 1HG1 VAL 84 3.568 4.949 5.320 743 HG12 VAL 84 2HG1 VAL 84 2.802 3.363 5.282 744 HG13 VAL 84 3HG1 VAL 84 1.964 4.758 4.610 745 HG21 VAL 84 3HG2 VAL 84 4.387 5.997 3.018 746 HG22 VAL 84 1HG2 VAL 84 2.747 5.775 2.403 747 HG23 VAL 84 2HG2 VAL 84 4.113 5.063 1.545 748 H THR 85 H THR 85 6.708 2.261 5.044 749 HA THR 85 HA THR 85 5.396 -0.295 5.471 750 HB THR 85 HB THR 85 7.410 -0.819 6.888 751 HG1 THR 85 HG1 THR 85 8.726 0.727 7.476 752 HG21 THR 85 3HG2 THR 85 9.049 -0.881 5.055 753 HG22 THR 85 1HG2 THR 85 8.102 0.296 4.142 754 HG23 THR 85 2HG2 THR 85 7.448 -1.313 4.453 755 H ASP 86 H ASP 86 6.126 2.611 7.288 756 HA ASP 86 HA ASP 86 4.712 1.566 9.668 757 HB2 ASP 86 2HB ASP 86 7.182 2.361 9.785 758 HB3 ASP 86 3HB ASP 86 6.551 3.993 9.613 759 H GLU 87 H GLU 87 3.284 2.974 10.790 760 HA GLU 87 HA GLU 87 1.421 4.461 9.333 761 HB2 GLU 87 2HB GLU 87 0.874 3.447 11.452 762 HB3 GLU 87 3HB GLU 87 2.085 4.389 12.296 763 HG2 GLU 87 2HG GLU 87 0.726 6.458 11.721 764 HG3 GLU 87 3HG GLU 87 -0.529 5.379 11.114 765 H ASP 88 H ASP 88 4.206 5.522 11.265 766 HA ASP 88 HA ASP 88 3.876 8.288 11.198 767 HB2 ASP 88 2HB ASP 88 5.561 6.959 12.575 768 HB3 ASP 88 3HB ASP 88 6.552 6.819 11.127 769 H GLN 89 H GLN 89 5.106 6.103 8.728 770 HA GLN 89 HA GLN 89 6.130 8.077 6.910 771 HB2 GLN 89 2HB GLN 89 5.115 5.296 6.179 772 HB3 GLN 89 3HB GLN 89 6.245 6.281 5.269 773 HG2 GLN 89 2HG GLN 89 6.769 4.983 7.953 774 HG3 GLN 89 3HG GLN 89 7.367 4.425 6.390 775 HE21 GLN 89 1HE2 GLN 89 9.009 5.634 5.352 776 HE22 GLN 89 2HE2 GLN 89 10.004 6.756 6.214 777 H ALA 90 H ALA 90 3.026 6.411 7.323 778 HA ALA 90 HA ALA 90 1.694 7.431 5.028 779 HB1 ALA 90 3HB ALA 90 0.489 6.377 7.614 780 HB2 ALA 90 1HB ALA 90 0.913 5.413 6.200 781 HB3 ALA 90 2HB ALA 90 -0.377 6.612 6.093 782 H LYS 91 H LYS 91 1.988 8.584 8.352 783 HA LYS 91 HA LYS 91 0.154 10.781 8.106 784 HB2 LYS 91 2HB LYS 91 2.328 10.224 10.178 785 HB3 LYS 91 3HB LYS 91 1.082 11.461 10.323 786 HG2 LYS 91 2HG LYS 91 -0.667 9.718 10.386 787 HG3 LYS 91 3HG LYS 91 0.566 8.473 10.186 788 HD2 LYS 91 2HD LYS 91 -0.067 8.585 12.533 789 HD3 LYS 91 3HD LYS 91 1.588 9.169 12.362 790 HE2 LYS 91 2HE LYS 91 0.717 11.511 12.427 791 HE3 LYS 91 3HE LYS 91 -0.904 10.871 12.698 792 HZ1 LYS 91 3HZ LYS 91 0.087 11.496 14.781 793 HZ2 LYS 91 1HZ LYS 91 1.441 10.522 14.497 794 HZ3 LYS 91 2HZ LYS 91 -0.075 9.815 14.737 795 H GLN 92 H GLN 92 3.570 10.240 7.543 796 HA GLN 92 HA GLN 92 4.413 12.970 7.491 797 HB2 GLN 92 2HB GLN 92 5.955 11.054 7.908 798 HB3 GLN 92 3HB GLN 92 5.712 10.502 6.256 799 HG2 GLN 92 2HG GLN 92 7.850 11.676 6.522 800 HG3 GLN 92 3HG GLN 92 6.789 12.532 5.399 801 HE21 GLN 92 1HE2 GLN 92 5.997 14.566 5.975 802 HE22 GLN 92 2HE2 GLN 92 6.551 15.442 7.359 803 H ILE 93 H ILE 93 3.701 10.578 4.899 804 HA ILE 93 HA ILE 93 3.942 12.400 2.758 805 HB ILE 93 HB ILE 93 2.782 10.772 1.329 806 HG12 ILE 93 2HG1 ILE 93 2.212 9.212 3.886 807 HG13 ILE 93 3HG1 ILE 93 1.014 10.043 2.904 808 HG21 ILE 93 1HG2 ILE 93 4.746 9.431 3.225 809 HG22 ILE 93 2HG2 ILE 93 5.170 10.411 1.821 810 HG23 ILE 93 3HG2 ILE 93 4.337 8.871 1.601 811 HD11 ILE 93 3HD1 ILE 93 0.967 7.655 2.527 812 HD12 ILE 93 1HD1 ILE 93 2.659 7.669 2.038 813 HD13 ILE 93 2HD1 ILE 93 1.451 8.503 1.060 814 H LEU 94 H LEU 94 1.221 11.818 4.942 815 HA LEU 94 HA LEU 94 -0.701 13.354 3.546 816 HB2 LEU 94 2HB LEU 94 -0.312 12.892 6.534 817 HB3 LEU 94 3HB LEU 94 -1.665 13.813 5.901 818 HG LEU 94 HG LEU 94 -1.116 10.897 5.230 819 HD11 LEU 94 1HD1 LEU 94 -3.156 12.025 7.173 820 HD12 LEU 94 2HD1 LEU 94 -1.686 11.149 7.602 821 HD13 LEU 94 3HD1 LEU 94 -2.970 10.327 6.720 822 HD21 LEU 94 3HD2 LEU 94 -3.411 10.917 4.297 823 HD22 LEU 94 1HD2 LEU 94 -2.328 12.018 3.446 824 HD23 LEU 94 2HD2 LEU 94 -3.508 12.656 4.591 825 H GLU 95 H GLU 95 1.764 14.350 5.983 826 HA GLU 95 HA GLU 95 1.358 17.133 5.815 827 HB2 GLU 95 2HB GLU 95 3.999 15.708 6.376 828 HB3 GLU 95 3HB GLU 95 3.634 17.390 6.739 829 HG2 GLU 95 2HG GLU 95 1.828 16.576 8.303 830 HG3 GLU 95 3HG GLU 95 2.433 14.939 8.052 831 H ASP 96 H ASP 96 2.892 14.919 3.695 832 HA ASP 96 HA ASP 96 4.639 16.885 2.411 833 HB2 ASP 96 2HB ASP 96 5.461 14.574 2.772 834 HB3 ASP 96 3HB ASP 96 4.218 13.962 1.684 835 H LEU 97 H LEU 97 1.593 15.250 1.784 836 HA LEU 97 HA LEU 97 1.375 16.041 -0.982 837 HB2 LEU 97 2HB LEU 97 -0.350 14.561 0.985 838 HB3 LEU 97 3HB LEU 97 -1.191 15.357 -0.330 839 HG LEU 97 HG LEU 97 -0.105 13.998 -1.999 840 HD11 LEU 97 1HD1 LEU 97 1.604 12.313 -1.533 841 HD12 LEU 97 2HD1 LEU 97 1.675 12.839 0.153 842 HD13 LEU 97 3HD1 LEU 97 2.169 13.939 -1.140 843 HD21 LEU 97 3HD2 LEU 97 -2.004 12.933 -0.850 844 HD22 LEU 97 1HD2 LEU 97 -0.901 12.193 0.315 845 HD23 LEU 97 2HD2 LEU 97 -0.833 11.737 -1.390 846 H LYS 98 H LYS 98 0.490 17.470 2.115 847 HA LYS 98 HA LYS 98 -1.304 19.438 0.945 848 HB2 LYS 98 2HB LYS 98 -1.572 20.336 3.232 849 HB3 LYS 98 3HB LYS 98 -1.893 18.621 3.131 850 HG2 LYS 98 2HG LYS 98 -0.757 18.712 5.116 851 HG3 LYS 98 3HG LYS 98 0.577 18.391 4.012 852 HD2 LYS 98 2HD LYS 98 1.170 20.795 4.033 853 HD3 LYS 98 3HD LYS 98 -0.191 21.129 5.106 854 HE2 LYS 98 2HE LYS 98 0.840 19.680 6.835 855 HE3 LYS 98 3HE LYS 98 2.201 19.377 5.755 856 HZ1 LYS 98 3HZ LYS 98 1.424 22.045 6.821 857 HZ2 LYS 98 1HZ LYS 98 2.760 21.721 5.831 858 HZ3 LYS 98 2HZ LYS 98 2.692 21.090 7.402 859 H LYS 99 H LYS 99 1.993 19.484 2.300 860 HA LYS 99 HA LYS 99 2.536 22.193 1.430 861 HB2 LYS 99 2HB LYS 99 4.926 21.692 1.831 862 HB3 LYS 99 3HB LYS 99 3.946 21.161 3.193 863 HG2 LYS 99 2HG LYS 99 4.098 18.862 2.502 864 HG3 LYS 99 3HG LYS 99 4.865 19.298 0.988 865 HD2 LYS 99 2HD LYS 99 6.205 19.985 3.612 866 HD3 LYS 99 3HD LYS 99 6.312 18.349 2.963 867 HE2 LYS 99 2HE LYS 99 7.192 20.866 1.509 868 HE3 LYS 99 3HE LYS 99 8.260 19.718 2.316 869 HZ1 LYS 99 3HZ LYS 99 6.581 19.221 -0.081 870 HZ2 LYS 99 1HZ LYS 99 7.359 17.987 0.778 871 HZ3 LYS 99 2HZ LYS 99 8.271 19.195 0.022 872 H LYS 100 H LYS 100 2.133 19.279 -0.178 873 HA LYS 100 HA LYS 100 2.276 18.518 -2.259 874 HB2 LYS 100 2HB LYS 100 1.354 20.798 -2.827 875 HB3 LYS 100 3HB LYS 100 2.997 21.345 -3.131 876 HG2 LYS 100 2HG LYS 100 1.826 20.794 -5.222 877 HG3 LYS 100 3HG LYS 100 3.224 19.748 -4.972 878 HD2 LYS 100 2HD LYS 100 1.250 18.516 -5.843 879 HD3 LYS 100 3HD LYS 100 1.789 17.904 -4.281 880 HE2 LYS 100 2HE LYS 100 -0.674 18.023 -4.440 881 HE3 LYS 100 3HE LYS 100 -0.058 19.066 -3.160 882 HZ1 LYS 100 3HZ LYS 100 -0.331 20.963 -4.624 883 HZ2 LYS 100 1HZ LYS 100 -1.794 20.129 -4.469 884 HZ3 LYS 100 2HZ LYS 100 -0.870 19.962 -5.873 885 H GLY 101 H GLY 101 3.928 17.138 -1.917 886 HA2 GLY 101 2HA GLY 101 6.675 17.776 -1.747 887 HA3 GLY 101 3HA GLY 101 5.992 16.179 -2.011 888 H SER 102 H SER 102 8.274 17.787 -3.235 889 HA SER 102 HA SER 102 8.080 16.832 -5.903 890 HB2 SER 102 2HB SER 102 6.595 18.854 -6.102 891 HB3 SER 102 3HB SER 102 7.932 19.871 -5.563 892 HG SER 102 HG SER 102 7.630 19.711 -7.889 893 H LEU 103 H LEU 103 10.018 17.400 -7.176 894 HA LEU 103 HA LEU 103 12.467 17.471 -5.730 895 HB2 LEU 103 2HB LEU 103 13.584 17.403 -7.837 896 HB3 LEU 103 3HB LEU 103 12.145 16.419 -8.012 897 HG LEU 103 HG LEU 103 12.453 19.255 -9.090 898 HD11 LEU 103 1HD1 LEU 103 12.620 16.630 -10.609 899 HD12 LEU 103 2HD1 LEU 103 13.953 17.738 -10.270 900 HD13 LEU 103 3HD1 LEU 103 12.638 18.248 -11.321 901 HD21 LEU 103 3HD2 LEU 103 10.096 18.731 -8.650 902 HD22 LEU 103 1HD2 LEU 103 10.222 17.263 -9.626 903 HD23 LEU 103 2HD2 LEU 103 10.412 18.849 -10.378 904 H GLU 104 H GLU 104 10.335 19.919 -6.457 905 HA GLU 104 HA GLU 104 12.056 22.180 -6.802 906 HB2 GLU 104 2HB GLU 104 9.122 21.906 -6.060 907 HB3 GLU 104 3HB GLU 104 9.898 23.437 -6.443 908 HG2 GLU 104 2HG GLU 104 10.295 22.728 -8.729 909 HG3 GLU 104 3HG GLU 104 9.716 21.104 -8.368 910 H HIS 105 H HIS 105 12.847 20.690 -4.443 911 HA HIS 105 HA HIS 105 12.168 22.277 -2.102 912 HB2 HIS 105 2HB HIS 105 12.779 19.843 -1.979 913 HB3 HIS 105 3HB HIS 105 14.407 20.241 -2.508 914 HD1 HIS 105 HD1 HIS 105 15.908 20.040 -0.552 915 HD2 HIS 105 HD2 HIS 105 12.229 21.647 0.520 916 HE1 HIS 105 HE1 HIS 105 16.082 20.540 1.900 917 HE2 HIS 105 HE2 HIS 105 13.891 21.613 2.497 918 H HIS 106 H HIS 106 14.151 22.634 -4.783 919 HA HIS 106 HA HIS 106 16.116 24.464 -3.639 920 HB2 HIS 106 2HB HIS 106 16.722 22.843 -5.453 921 HB3 HIS 106 3HB HIS 106 15.540 23.584 -6.521 922 HD1 HIS 106 HD1 HIS 106 16.338 25.467 -7.952 923 HD2 HIS 106 HD2 HIS 106 18.996 24.623 -4.864 924 HE1 HIS 106 HE1 HIS 106 18.394 26.829 -8.439 925 HE2 HIS 106 HE2 HIS 106 19.904 26.444 -6.468 926 H HIS 107 H HIS 107 13.678 25.407 -3.008 927 HA HIS 107 HA HIS 107 12.256 27.130 -2.962 928 HB2 HIS 107 2HB HIS 107 13.998 28.408 -5.110 929 HB3 HIS 107 3HB HIS 107 12.688 29.224 -4.253 930 HD1 HIS 107 HD1 HIS 107 16.252 28.567 -4.056 931 HD2 HIS 107 HD2 HIS 107 13.209 29.391 -1.345 932 HE1 HIS 107 HE1 HIS 107 17.406 29.251 -1.932 933 HE2 HIS 107 HE2 HIS 107 15.551 29.800 -0.332 934 H HIS 108 H HIS 108 10.245 27.216 -3.650 935 HA HIS 108 HA HIS 108 9.564 26.568 -6.450 936 HB2 HIS 108 2HB HIS 108 7.695 25.127 -5.623 937 HB3 HIS 108 3HB HIS 108 9.282 24.510 -5.191 938 HD1 HIS 108 HD1 HIS 108 6.123 25.794 -3.706 939 HD2 HIS 108 HD2 HIS 108 9.869 24.533 -2.416 940 HE1 HIS 108 HE1 HIS 108 5.919 25.484 -1.223 941 HE2 HIS 108 HE2 HIS 108 8.200 24.784 -0.453 942 H HIS 109 H HIS 109 8.425 28.149 -7.277 943 HA HIS 109 HA HIS 109 6.121 29.347 -6.095 944 HB2 HIS 109 2HB HIS 109 7.983 30.624 -4.902 945 HB3 HIS 109 3HB HIS 109 8.532 31.205 -6.468 946 HD1 HIS 109 HD1 HIS 109 6.023 31.831 -3.812 947 HD2 HIS 109 HD2 HIS 109 6.773 33.138 -7.687 948 HE1 HIS 109 HE1 HIS 109 4.644 33.906 -4.109 949 HE2 HIS 109 HE2 HIS 109 4.930 34.525 -6.521 950 H HIS 110 H HIS 110 4.829 30.119 -7.781 951 HA HIS 110 HA HIS 110 5.773 29.876 -10.504 952 HB2 HIS 110 2HB HIS 110 3.481 29.212 -10.050 953 HB3 HIS 110 3HB HIS 110 3.088 30.792 -9.376 954 HD1 HIS 110 HD1 HIS 110 2.367 32.596 -11.004 955 HD2 HIS 110 HD2 HIS 110 3.815 29.208 -12.929 956 HE1 HIS 110 HE1 HIS 110 1.860 32.935 -13.439 957 HE2 HIS 110 HE2 HIS 110 2.848 30.932 -14.594 Start of MODEL 16 1 H1 MET 1 1H MET 1 -0.765 10.797 -14.887 2 H2 MET 1 2H MET 1 -0.312 10.833 -16.515 3 H3 MET 1 3H MET 1 -1.420 11.962 -15.922 4 HA MET 1 HA MET 1 1.404 11.725 -15.079 5 HB2 MET 1 2HB MET 1 1.834 13.753 -16.378 6 HB3 MET 1 3HB MET 1 1.118 12.543 -17.430 7 HG2 MET 1 2HG MET 1 -1.111 13.713 -17.082 8 HG3 MET 1 3HG MET 1 -0.215 15.016 -16.303 9 HE1 MET 1 3HE MET 1 1.735 16.418 -17.639 10 HE2 MET 1 1HE MET 1 2.044 16.219 -19.363 11 HE3 MET 1 2HE MET 1 2.504 14.946 -18.236 12 H GLY 2 H GLY 2 2.088 13.492 -13.664 13 HA2 GLY 2 2HA GLY 2 1.867 14.893 -11.850 14 HA3 GLY 2 3HA GLY 2 0.251 15.295 -12.411 15 H SER 3 H SER 3 1.026 11.984 -11.874 16 HA SER 3 HA SER 3 -0.871 11.865 -9.615 17 HB2 SER 3 2HB SER 3 -0.048 9.674 -11.581 18 HB3 SER 3 3HB SER 3 -1.321 9.572 -10.357 19 HG SER 3 HG SER 3 -2.146 11.541 -11.535 20 H LYS 4 H LYS 4 -0.416 10.375 -7.903 21 HA LYS 4 HA LYS 4 2.350 9.364 -7.648 22 HB2 LYS 4 2HB LYS 4 2.319 11.495 -6.428 23 HB3 LYS 4 3HB LYS 4 0.838 11.047 -5.591 24 HG2 LYS 4 2HG LYS 4 2.044 9.276 -4.364 25 HG3 LYS 4 3HG LYS 4 3.528 9.662 -5.237 26 HD2 LYS 4 2HD LYS 4 2.041 11.557 -3.373 27 HD3 LYS 4 3HD LYS 4 3.486 10.639 -2.943 28 HE2 LYS 4 2HE LYS 4 4.808 11.869 -4.583 29 HE3 LYS 4 3HE LYS 4 3.366 12.700 -5.174 30 HZ1 LYS 4 3HZ LYS 4 4.683 14.067 -3.672 31 HZ2 LYS 4 1HZ LYS 4 4.463 12.944 -2.430 32 HZ3 LYS 4 2HZ LYS 4 3.134 13.780 -3.055 33 H ILE 5 H ILE 5 2.177 7.230 -7.194 34 HA ILE 5 HA ILE 5 -0.108 6.234 -5.643 35 HB ILE 5 HB ILE 5 0.639 3.969 -6.144 36 HG12 ILE 5 2HG1 ILE 5 2.961 5.137 -7.761 37 HG13 ILE 5 3HG1 ILE 5 3.133 4.450 -6.152 38 HG21 ILE 5 1HG2 ILE 5 0.554 5.702 -8.635 39 HG22 ILE 5 2HG2 ILE 5 -0.827 5.020 -7.769 40 HG23 ILE 5 3HG2 ILE 5 0.305 3.953 -8.603 41 HD11 ILE 5 3HD1 ILE 5 2.253 2.961 -8.622 42 HD12 ILE 5 1HD1 ILE 5 2.391 2.279 -6.997 43 HD13 ILE 5 2HD1 ILE 5 3.826 2.874 -7.828 44 H ILE 6 H ILE 6 0.130 5.444 -3.680 45 HA ILE 6 HA ILE 6 2.800 5.381 -2.416 46 HB ILE 6 HB ILE 6 0.091 5.644 -1.038 47 HG12 ILE 6 2HG1 ILE 6 0.757 7.751 -2.241 48 HG13 ILE 6 3HG1 ILE 6 0.683 7.965 -0.499 49 HG21 ILE 6 1HG2 ILE 6 1.770 4.395 0.285 50 HG22 ILE 6 2HG2 ILE 6 1.381 5.938 1.025 51 HG23 ILE 6 3HG2 ILE 6 2.893 5.750 0.147 52 HD11 ILE 6 3HD1 ILE 6 2.557 9.123 -1.470 53 HD12 ILE 6 1HD1 ILE 6 3.179 7.622 -2.147 54 HD13 ILE 6 2HD1 ILE 6 3.124 7.846 -0.394 55 H VAL 7 H VAL 7 3.379 3.478 -1.551 56 HA VAL 7 HA VAL 7 1.639 1.132 -1.939 57 HB VAL 7 HB VAL 7 4.693 1.184 -1.950 58 HG11 VAL 7 1HG1 VAL 7 4.473 -1.167 -2.729 59 HG12 VAL 7 2HG1 VAL 7 2.723 -1.054 -2.539 60 HG13 VAL 7 3HG1 VAL 7 3.776 -0.933 -1.126 61 HG21 VAL 7 3HG2 VAL 7 2.793 0.886 -4.317 62 HG22 VAL 7 1HG2 VAL 7 4.555 0.745 -4.384 63 HG23 VAL 7 2HG2 VAL 7 3.807 2.293 -3.984 64 H ILE 8 H ILE 8 0.824 0.632 -0.014 65 HA ILE 8 HA ILE 8 2.347 1.260 2.446 66 HB ILE 8 HB ILE 8 -0.669 1.080 2.036 67 HG12 ILE 8 2HG1 ILE 8 1.183 3.419 2.683 68 HG13 ILE 8 3HG1 ILE 8 0.269 3.179 1.201 69 HG21 ILE 8 1HG2 ILE 8 -0.086 0.127 4.226 70 HG22 ILE 8 2HG2 ILE 8 -0.897 1.679 4.431 71 HG23 ILE 8 3HG2 ILE 8 0.856 1.566 4.623 72 HD11 ILE 8 3HD1 ILE 8 -0.732 4.890 2.569 73 HD12 ILE 8 1HD1 ILE 8 -0.894 3.770 3.923 74 HD13 ILE 8 2HD1 ILE 8 -1.811 3.505 2.438 75 H ILE 9 H ILE 9 2.880 -0.328 3.693 76 HA ILE 9 HA ILE 9 2.291 -3.100 2.923 77 HB ILE 9 HB ILE 9 4.592 -2.005 4.625 78 HG12 ILE 9 2HG1 ILE 9 6.025 -3.028 2.727 79 HG13 ILE 9 3HG1 ILE 9 4.542 -3.168 1.797 80 HG21 ILE 9 1HG2 ILE 9 5.446 -4.345 4.689 81 HG22 ILE 9 2HG2 ILE 9 3.990 -4.896 3.860 82 HG23 ILE 9 3HG2 ILE 9 3.873 -4.203 5.479 83 HD11 ILE 9 3HD1 ILE 9 4.310 -0.744 1.791 84 HD12 ILE 9 1HD1 ILE 9 5.881 -1.233 1.156 85 HD13 ILE 9 2HD1 ILE 9 5.755 -0.591 2.795 86 H SER 10 H SER 10 0.371 -3.467 3.948 87 HA SER 10 HA SER 10 -0.124 -2.478 6.659 88 HB2 SER 10 2HB SER 10 -1.931 -3.988 4.723 89 HB3 SER 10 3HB SER 10 -2.438 -3.296 6.267 90 HG SER 10 HG SER 10 -1.149 -1.486 4.695 91 H SER 11 H SER 11 0.900 -3.667 8.106 92 HA SER 11 HA SER 11 0.595 -6.602 8.165 93 HB2 SER 11 2HB SER 11 2.962 -6.621 9.140 94 HB3 SER 11 3HB SER 11 2.856 -6.228 7.428 95 HG SER 11 HG SER 11 4.076 -4.622 8.073 96 H ASP 12 H ASP 12 -0.406 -7.172 9.968 97 HA ASP 12 HA ASP 12 -0.925 -7.515 12.117 98 HB2 ASP 12 2HB ASP 12 1.402 -7.103 12.738 99 HB3 ASP 12 3HB ASP 12 1.116 -5.367 12.767 100 H ASP 13 H ASP 13 -0.665 -4.012 11.499 101 HA ASP 13 HA ASP 13 -3.134 -3.520 13.057 102 HB2 ASP 13 2HB ASP 13 -1.083 -2.432 13.904 103 HB3 ASP 13 3HB ASP 13 -0.813 -1.673 12.336 104 H THR 14 H THR 14 -4.534 -1.783 12.273 105 HA THR 14 HA THR 14 -5.049 -2.095 9.389 106 HB THR 14 HB THR 14 -6.931 -1.769 11.764 107 HG1 THR 14 HG1 THR 14 -6.117 -3.883 10.077 108 HG21 THR 14 3HG2 THR 14 -7.689 -2.107 8.834 109 HG22 THR 14 1HG2 THR 14 -7.979 -0.664 9.810 110 HG23 THR 14 2HG2 THR 14 -8.808 -2.173 10.198 111 H THR 15 H THR 15 -4.256 0.355 11.709 112 HA THR 15 HA THR 15 -5.726 2.557 10.743 113 HB THR 15 HB THR 15 -2.898 2.772 11.863 114 HG1 THR 15 HG1 THR 15 -3.684 2.007 13.644 115 HG21 THR 15 3HG2 THR 15 -5.256 4.692 12.015 116 HG22 THR 15 1HG2 THR 15 -3.844 4.903 10.978 117 HG23 THR 15 2HG2 THR 15 -3.667 4.950 12.735 118 H LEU 16 H LEU 16 -2.834 1.031 9.521 119 HA LEU 16 HA LEU 16 -1.902 2.990 7.696 120 HB2 LEU 16 2HB LEU 16 -1.659 -0.044 7.564 121 HB3 LEU 16 3HB LEU 16 -0.837 1.061 6.483 122 HG LEU 16 HG LEU 16 0.235 2.078 8.636 123 HD11 LEU 16 1HD1 LEU 16 -1.188 0.990 10.290 124 HD12 LEU 16 2HD1 LEU 16 0.501 0.551 10.530 125 HD13 LEU 16 3HD1 LEU 16 -0.611 -0.597 9.774 126 HD21 LEU 16 3HD2 LEU 16 2.082 0.485 8.570 127 HD22 LEU 16 1HD2 LEU 16 1.502 0.846 6.946 128 HD23 LEU 16 2HD2 LEU 16 1.069 -0.685 7.717 129 H GLU 17 H GLU 17 -4.297 0.420 7.415 130 HA GLU 17 HA GLU 17 -4.932 0.677 4.649 131 HB2 GLU 17 2HB GLU 17 -6.632 -0.434 6.931 132 HB3 GLU 17 3HB GLU 17 -6.866 -0.761 5.214 133 HG2 GLU 17 2HG GLU 17 -4.872 -2.076 5.090 134 HG3 GLU 17 3HG GLU 17 -4.310 -1.507 6.660 135 H GLU 18 H GLU 18 -6.199 2.094 7.645 136 HA GLU 18 HA GLU 18 -8.522 3.340 6.555 137 HB2 GLU 18 2HB GLU 18 -6.972 3.912 9.116 138 HB3 GLU 18 3HB GLU 18 -8.545 4.607 8.736 139 HG2 GLU 18 2HG GLU 18 -7.933 1.664 9.144 140 HG3 GLU 18 3HG GLU 18 -8.776 2.724 10.275 141 H LEU 19 H LEU 19 -5.204 4.422 7.144 142 HA LEU 19 HA LEU 19 -5.596 7.172 6.492 143 HB2 LEU 19 2HB LEU 19 -3.059 5.484 6.620 144 HB3 LEU 19 3HB LEU 19 -3.059 7.227 6.377 145 HG LEU 19 HG LEU 19 -4.155 5.819 8.847 146 HD11 LEU 19 1HD1 LEU 19 -1.549 7.325 8.536 147 HD12 LEU 19 2HD1 LEU 19 -1.741 5.581 8.750 148 HD13 LEU 19 3HD1 LEU 19 -2.213 6.679 10.042 149 HD21 LEU 19 3HD2 LEU 19 -3.780 8.781 8.308 150 HD22 LEU 19 1HD2 LEU 19 -4.251 8.059 9.853 151 HD23 LEU 19 2HD2 LEU 19 -5.316 7.922 8.457 152 H ALA 20 H ALA 20 -4.581 4.292 4.702 153 HA ALA 20 HA ALA 20 -3.648 5.282 2.308 154 HB1 ALA 20 3HB ALA 20 -3.599 2.898 2.919 155 HB2 ALA 20 1HB ALA 20 -4.316 3.119 1.318 156 HB3 ALA 20 2HB ALA 20 -5.348 2.789 2.712 157 H ARG 21 H ARG 21 -7.003 4.872 3.329 158 HA ARG 21 HA ARG 21 -8.336 5.281 0.878 159 HB2 ARG 21 2HB ARG 21 -9.307 4.280 2.990 160 HB3 ARG 21 3HB ARG 21 -9.365 5.891 3.687 161 HG2 ARG 21 2HG ARG 21 -11.573 5.238 2.885 162 HG3 ARG 21 3HG ARG 21 -10.964 6.589 1.928 163 HD2 ARG 21 2HD ARG 21 -10.453 5.141 0.064 164 HD3 ARG 21 3HD ARG 21 -10.763 3.693 1.026 165 HE ARG 21 HE ARG 21 -13.137 4.486 1.130 166 HH11 ARG 21 1HH1 ARG 21 -11.146 5.479 -1.589 167 HH12 ARG 21 2HH1 ARG 21 -12.485 5.704 -2.658 168 HH21 ARG 21 1HH2 ARG 21 -14.895 4.764 -0.298 169 HH22 ARG 21 2HH2 ARG 21 -14.618 5.295 -1.923 170 H LYS 22 H LYS 22 -7.072 7.512 3.274 171 HA LYS 22 HA LYS 22 -8.378 9.867 2.263 172 HB2 LYS 22 2HB LYS 22 -5.938 9.733 4.086 173 HB3 LYS 22 3HB LYS 22 -7.043 11.092 3.893 174 HG2 LYS 22 2HG LYS 22 -7.651 8.418 5.200 175 HG3 LYS 22 3HG LYS 22 -7.445 9.967 6.018 176 HD2 LYS 22 2HD LYS 22 -9.702 9.253 4.099 177 HD3 LYS 22 3HD LYS 22 -9.816 9.304 5.858 178 HE2 LYS 22 2HE LYS 22 -9.242 11.682 4.054 179 HE3 LYS 22 3HE LYS 22 -10.776 11.327 4.849 180 HZ1 LYS 22 3HZ LYS 22 -9.604 11.528 6.997 181 HZ2 LYS 22 1HZ LYS 22 -9.603 12.961 6.103 182 HZ3 LYS 22 2HZ LYS 22 -8.206 12.013 6.172 183 H ILE 23 H ILE 23 -5.188 8.319 1.826 184 HA ILE 23 HA ILE 23 -3.930 10.410 0.388 185 HB ILE 23 HB ILE 23 -3.388 7.429 0.545 186 HG12 ILE 23 2HG1 ILE 23 -1.128 8.312 1.427 187 HG13 ILE 23 3HG1 ILE 23 -1.858 9.908 1.434 188 HG21 ILE 23 1HG2 ILE 23 -2.840 7.966 -1.785 189 HG22 ILE 23 2HG2 ILE 23 -1.369 7.662 -0.865 190 HG23 ILE 23 3HG2 ILE 23 -1.831 9.318 -1.257 191 HD11 ILE 23 3HD1 ILE 23 -1.847 8.918 3.629 192 HD12 ILE 23 1HD1 ILE 23 -2.759 7.529 3.037 193 HD13 ILE 23 2HD1 ILE 23 -3.503 9.130 3.061 194 H LYS 24 H LYS 24 -5.573 7.456 -0.820 195 HA LYS 24 HA LYS 24 -5.270 8.201 -3.550 196 HB2 LYS 24 2HB LYS 24 -6.758 6.251 -4.066 197 HB3 LYS 24 3HB LYS 24 -5.339 5.879 -3.116 198 HG2 LYS 24 2HG LYS 24 -7.006 4.562 -2.166 199 HG3 LYS 24 3HG LYS 24 -6.872 5.929 -1.063 200 HD2 LYS 24 2HD LYS 24 -9.219 5.213 -1.520 201 HD3 LYS 24 3HD LYS 24 -8.908 6.904 -1.917 202 HE2 LYS 24 2HE LYS 24 -10.308 5.659 -3.605 203 HE3 LYS 24 3HE LYS 24 -8.867 6.411 -4.284 204 HZ1 LYS 24 3HZ LYS 24 -9.419 4.056 -4.986 205 HZ2 LYS 24 1HZ LYS 24 -8.910 3.584 -3.451 206 HZ3 LYS 24 2HZ LYS 24 -7.823 4.338 -4.496 207 H ASP 25 H ASP 25 -7.568 9.096 -1.190 208 HA ASP 25 HA ASP 25 -9.802 9.839 -2.710 209 HB2 ASP 25 2HB ASP 25 -9.808 9.774 -0.249 210 HB3 ASP 25 3HB ASP 25 -8.675 11.120 -0.183 211 H GLU 26 H GLU 26 -6.637 11.326 -2.482 212 HA GLU 26 HA GLU 26 -7.273 13.965 -3.390 213 HB2 GLU 26 2HB GLU 26 -4.639 12.423 -3.486 214 HB3 GLU 26 3HB GLU 26 -4.795 14.135 -3.859 215 HG2 GLU 26 2HG GLU 26 -5.304 12.818 -1.193 216 HG3 GLU 26 3HG GLU 26 -3.913 13.803 -1.624 217 H GLY 27 H GLY 27 -7.752 11.218 -5.108 218 HA2 GLY 27 2HA GLY 27 -8.254 11.071 -7.413 219 HA3 GLY 27 3HA GLY 27 -7.159 12.409 -7.747 220 H LEU 28 H LEU 28 -5.832 10.263 -5.514 221 HA LEU 28 HA LEU 28 -3.922 9.192 -7.479 222 HB2 LEU 28 2HB LEU 28 -3.707 8.825 -4.469 223 HB3 LEU 28 3HB LEU 28 -2.432 8.823 -5.671 224 HG LEU 28 HG LEU 28 -3.862 11.217 -4.475 225 HD11 LEU 28 1HD1 LEU 28 -2.051 10.273 -3.151 226 HD12 LEU 28 2HD1 LEU 28 -1.621 11.866 -3.762 227 HD13 LEU 28 3HD1 LEU 28 -0.940 10.422 -4.518 228 HD21 LEU 28 3HD2 LEU 28 -1.923 11.313 -6.813 229 HD22 LEU 28 1HD2 LEU 28 -2.555 12.699 -5.910 230 HD23 LEU 28 2HD2 LEU 28 -3.647 11.700 -6.862 231 H GLU 29 H GLU 29 -3.241 6.786 -7.123 232 HA GLU 29 HA GLU 29 -5.268 5.226 -5.615 233 HB2 GLU 29 2HB GLU 29 -5.118 4.711 -8.075 234 HB3 GLU 29 3HB GLU 29 -3.443 4.223 -7.844 235 HG2 GLU 29 2HG GLU 29 -4.884 2.249 -7.925 236 HG3 GLU 29 3HG GLU 29 -4.173 2.413 -6.322 237 H VAL 30 H VAL 30 -4.525 3.549 -4.294 238 HA VAL 30 HA VAL 30 -1.693 3.620 -3.418 239 HB VAL 30 HB VAL 30 -4.197 2.975 -1.774 240 HG11 VAL 30 1HG1 VAL 30 -2.677 2.760 0.181 241 HG12 VAL 30 2HG1 VAL 30 -1.285 2.960 -0.884 242 HG13 VAL 30 3HG1 VAL 30 -2.325 1.542 -1.046 243 HG21 VAL 30 3HG2 VAL 30 -3.884 5.394 -2.171 244 HG22 VAL 30 1HG2 VAL 30 -2.246 5.294 -1.523 245 HG23 VAL 30 2HG2 VAL 30 -3.634 4.993 -0.471 246 H TYR 31 H TYR 31 -0.626 1.687 -3.339 247 HA TYR 31 HA TYR 31 -2.047 -0.819 -4.007 248 HB2 TYR 31 2HB TYR 31 0.902 -0.084 -4.336 249 HB3 TYR 31 3HB TYR 31 0.267 -1.712 -4.558 250 HD1 TYR 31 HD2 TYR 31 0.290 1.727 -5.963 251 HD2 TYR 31 HD1 TYR 31 -0.922 -2.327 -6.589 252 HE1 TYR 31 HE2 TYR 31 -0.175 2.228 -8.316 253 HE2 TYR 31 HE1 TYR 31 -1.380 -1.819 -8.955 254 HH TYR 31 HH TYR 31 -1.967 0.308 -10.312 255 H ILE 32 H ILE 32 -2.518 -1.843 -2.131 256 HA ILE 32 HA ILE 32 -0.849 -1.556 0.242 257 HB ILE 32 HB ILE 32 -3.365 -3.229 -0.193 258 HG12 ILE 32 2HG1 ILE 32 -3.795 -0.749 -0.402 259 HG13 ILE 32 3HG1 ILE 32 -4.640 -1.487 0.953 260 HG21 ILE 32 1HG2 ILE 32 -2.017 -4.122 1.639 261 HG22 ILE 32 2HG2 ILE 32 -3.471 -3.364 2.287 262 HG23 ILE 32 3HG2 ILE 32 -1.920 -2.526 2.387 263 HD11 ILE 32 3HD1 ILE 32 -2.111 0.136 1.122 264 HD12 ILE 32 1HD1 ILE 32 -2.967 -0.593 2.487 265 HD13 ILE 32 2HD1 ILE 32 -3.740 0.670 1.530 266 H LEU 33 H LEU 33 0.885 -2.909 0.510 267 HA LEU 33 HA LEU 33 0.879 -5.574 -0.726 268 HB2 LEU 33 2HB LEU 33 3.107 -4.021 0.638 269 HB3 LEU 33 3HB LEU 33 3.273 -5.662 0.029 270 HG LEU 33 HG LEU 33 2.858 -3.123 -1.577 271 HD11 LEU 33 1HD1 LEU 33 4.934 -3.763 -2.694 272 HD12 LEU 33 2HD1 LEU 33 5.063 -5.192 -1.665 273 HD13 LEU 33 3HD1 LEU 33 5.159 -3.577 -0.957 274 HD21 LEU 33 3HD2 LEU 33 2.663 -5.961 -2.631 275 HD22 LEU 33 1HD2 LEU 33 2.750 -4.500 -3.623 276 HD23 LEU 33 2HD2 LEU 33 1.368 -4.765 -2.569 277 H LEU 34 H LEU 34 -0.214 -6.921 0.412 278 HA LEU 34 HA LEU 34 -0.552 -6.704 3.285 279 HB2 LEU 34 2HB LEU 34 -2.286 -7.351 1.200 280 HB3 LEU 34 3HB LEU 34 -1.879 -8.946 1.797 281 HG LEU 34 HG LEU 34 -3.979 -8.074 2.780 282 HD11 LEU 34 1HD1 LEU 34 -3.529 -8.523 5.146 283 HD12 LEU 34 2HD1 LEU 34 -1.792 -8.374 4.855 284 HD13 LEU 34 3HD1 LEU 34 -2.710 -9.677 4.099 285 HD21 LEU 34 3HD2 LEU 34 -2.260 -5.889 4.001 286 HD22 LEU 34 1HD2 LEU 34 -3.968 -6.176 4.339 287 HD23 LEU 34 2HD2 LEU 34 -3.465 -5.681 2.728 288 H LYS 35 H LYS 35 0.750 -7.809 4.610 289 HA LYS 35 HA LYS 35 1.830 -10.444 3.815 290 HB2 LYS 35 2HB LYS 35 3.887 -9.922 5.179 291 HB3 LYS 35 3HB LYS 35 3.747 -8.964 3.712 292 HG2 LYS 35 2HG LYS 35 3.331 -6.977 4.870 293 HG3 LYS 35 3HG LYS 35 2.717 -7.810 6.296 294 HD2 LYS 35 2HD LYS 35 4.872 -6.796 6.803 295 HD3 LYS 35 3HD LYS 35 5.023 -8.552 6.856 296 HE2 LYS 35 2HE LYS 35 6.103 -8.545 4.662 297 HE3 LYS 35 3HE LYS 35 5.845 -6.804 4.523 298 HZ1 LYS 35 3HZ LYS 35 7.279 -6.469 6.432 299 HZ2 LYS 35 1HZ LYS 35 8.096 -7.310 5.216 300 HZ3 LYS 35 2HZ LYS 35 7.521 -8.137 6.574 301 H ASP 36 H ASP 36 1.044 -11.918 5.075 302 HA ASP 36 HA ASP 36 0.689 -11.519 7.964 303 HB2 ASP 36 2HB ASP 36 -1.535 -11.359 6.546 304 HB3 ASP 36 3HB ASP 36 -1.349 -13.093 6.327 305 H LYS 37 H LYS 37 0.570 -13.704 9.059 306 HA LYS 37 HA LYS 37 2.545 -15.532 7.931 307 HB2 LYS 37 2HB LYS 37 1.026 -15.692 10.567 308 HB3 LYS 37 3HB LYS 37 2.450 -16.635 10.121 309 HG2 LYS 37 2HG LYS 37 3.802 -14.565 10.026 310 HG3 LYS 37 3HG LYS 37 2.378 -13.612 10.461 311 HD2 LYS 37 2HD LYS 37 2.267 -14.821 12.645 312 HD3 LYS 37 3HD LYS 37 3.720 -15.726 12.204 313 HE2 LYS 37 2HE LYS 37 4.985 -13.591 12.091 314 HE3 LYS 37 3HE LYS 37 3.531 -12.715 12.580 315 HZ1 LYS 37 3HZ LYS 37 3.542 -13.941 14.659 316 HZ2 LYS 37 1HZ LYS 37 4.997 -13.107 14.448 317 HZ3 LYS 37 2HZ LYS 37 4.934 -14.782 14.192 318 H ASP 38 H ASP 38 -0.806 -15.222 7.796 319 HA ASP 38 HA ASP 38 -1.184 -17.996 6.834 320 HB2 ASP 38 2HB ASP 38 -2.355 -17.880 8.956 321 HB3 ASP 38 3HB ASP 38 -3.055 -16.312 8.559 322 H GLU 39 H GLU 39 -1.230 -17.735 4.702 323 HA GLU 39 HA GLU 39 -1.956 -15.539 3.176 324 HB2 GLU 39 2HB GLU 39 -1.946 -18.477 2.417 325 HB3 GLU 39 3HB GLU 39 -2.189 -17.183 1.244 326 HG2 GLU 39 2HG GLU 39 0.032 -16.256 1.810 327 HG3 GLU 39 3HG GLU 39 0.285 -17.574 2.957 328 H LYS 40 H LYS 40 -4.150 -17.923 4.561 329 HA LYS 40 HA LYS 40 -6.252 -17.695 2.676 330 HB2 LYS 40 2HB LYS 40 -6.018 -19.572 4.306 331 HB3 LYS 40 3HB LYS 40 -6.418 -18.482 5.622 332 HG2 LYS 40 2HG LYS 40 -8.377 -18.846 3.354 333 HG3 LYS 40 3HG LYS 40 -8.247 -20.101 4.583 334 HD2 LYS 40 2HD LYS 40 -8.816 -18.429 6.340 335 HD3 LYS 40 3HD LYS 40 -8.937 -17.173 5.104 336 HE2 LYS 40 2HE LYS 40 -11.159 -18.005 5.766 337 HE3 LYS 40 3HE LYS 40 -10.830 -18.353 4.069 338 HZ1 LYS 40 3HZ LYS 40 -11.845 -20.240 5.202 339 HZ2 LYS 40 1HZ LYS 40 -10.565 -20.295 6.310 340 HZ3 LYS 40 2HZ LYS 40 -10.287 -20.627 4.676 341 H ARG 41 H ARG 41 -5.954 -16.257 5.966 342 HA ARG 41 HA ARG 41 -8.163 -14.459 5.509 343 HB2 ARG 41 2HB ARG 41 -6.202 -14.589 7.833 344 HB3 ARG 41 3HB ARG 41 -7.644 -13.575 7.781 345 HG2 ARG 41 2HG ARG 41 -9.037 -15.646 7.566 346 HG3 ARG 41 3HG ARG 41 -7.571 -16.614 7.759 347 HD2 ARG 41 2HD ARG 41 -8.761 -14.699 9.795 348 HD3 ARG 41 3HD ARG 41 -8.765 -16.463 9.885 349 HE ARG 41 HE ARG 41 -6.371 -14.737 10.081 350 HH11 ARG 41 1HH1 ARG 41 -8.002 -17.739 10.951 351 HH12 ARG 41 2HH1 ARG 41 -6.708 -18.272 11.974 352 HH21 ARG 41 1HH2 ARG 41 -4.690 -15.479 11.374 353 HH22 ARG 41 2HH2 ARG 41 -4.837 -16.988 12.212 354 H LEU 42 H LEU 42 -4.666 -14.261 5.169 355 HA LEU 42 HA LEU 42 -4.197 -11.545 4.881 356 HB2 LEU 42 2HB LEU 42 -2.533 -13.436 4.739 357 HB3 LEU 42 3HB LEU 42 -3.136 -13.820 3.148 358 HG LEU 42 HG LEU 42 -1.748 -11.179 3.782 359 HD11 LEU 42 1HD1 LEU 42 -0.190 -13.013 4.255 360 HD12 LEU 42 2HD1 LEU 42 0.296 -12.121 2.815 361 HD13 LEU 42 3HD1 LEU 42 -0.485 -13.698 2.651 362 HD21 LEU 42 3HD2 LEU 42 -1.336 -11.070 1.354 363 HD22 LEU 42 1HD2 LEU 42 -3.053 -11.081 1.740 364 HD23 LEU 42 2HD2 LEU 42 -2.283 -12.547 1.136 365 H GLU 43 H GLU 43 -5.302 -13.867 2.416 366 HA GLU 43 HA GLU 43 -5.608 -11.827 0.386 367 HB2 GLU 43 2HB GLU 43 -4.719 -14.110 -0.135 368 HB3 GLU 43 3HB GLU 43 -6.328 -14.771 0.155 369 HG2 GLU 43 2HG GLU 43 -7.252 -13.527 -1.704 370 HG3 GLU 43 3HG GLU 43 -5.754 -12.618 -1.908 371 H GLU 44 H GLU 44 -7.652 -13.353 2.708 372 HA GLU 44 HA GLU 44 -10.185 -12.643 1.664 373 HB2 GLU 44 2HB GLU 44 -9.157 -12.983 4.502 374 HB3 GLU 44 3HB GLU 44 -10.821 -12.514 4.186 375 HG2 GLU 44 2HG GLU 44 -9.560 -15.056 3.110 376 HG3 GLU 44 3HG GLU 44 -10.451 -14.973 4.628 377 H LYS 45 H LYS 45 -7.820 -10.905 3.711 378 HA LYS 45 HA LYS 45 -9.272 -8.461 3.897 379 HB2 LYS 45 2HB LYS 45 -7.547 -8.993 5.557 380 HB3 LYS 45 3HB LYS 45 -6.303 -9.008 4.306 381 HG2 LYS 45 2HG LYS 45 -6.608 -6.610 3.916 382 HG3 LYS 45 3HG LYS 45 -7.941 -6.557 5.063 383 HD2 LYS 45 2HD LYS 45 -5.129 -7.342 5.878 384 HD3 LYS 45 3HD LYS 45 -5.662 -5.663 5.835 385 HE2 LYS 45 2HE LYS 45 -5.943 -6.302 8.084 386 HE3 LYS 45 3HE LYS 45 -7.568 -6.412 7.415 387 HZ1 LYS 45 3HZ LYS 45 -6.875 -8.294 8.842 388 HZ2 LYS 45 1HZ LYS 45 -5.738 -8.726 7.673 389 HZ3 LYS 45 2HZ LYS 45 -7.389 -8.753 7.299 390 H ILE 46 H ILE 46 -6.945 -9.742 1.544 391 HA ILE 46 HA ILE 46 -6.324 -7.408 0.114 392 HB ILE 46 HB ILE 46 -6.547 -10.297 -0.843 393 HG12 ILE 46 2HG1 ILE 46 -4.166 -8.514 -0.182 394 HG13 ILE 46 3HG1 ILE 46 -4.712 -9.921 0.718 395 HG21 ILE 46 1HG2 ILE 46 -6.956 -8.872 -2.816 396 HG22 ILE 46 2HG2 ILE 46 -5.400 -9.687 -2.939 397 HG23 ILE 46 3HG2 ILE 46 -5.467 -7.983 -2.490 398 HD11 ILE 46 3HD1 ILE 46 -3.436 -9.888 -2.013 399 HD12 ILE 46 1HD1 ILE 46 -4.111 -11.329 -1.237 400 HD13 ILE 46 2HD1 ILE 46 -2.755 -10.481 -0.498 401 H GLN 47 H GLN 47 -9.012 -9.724 -0.289 402 HA GLN 47 HA GLN 47 -10.239 -8.363 -2.484 403 HB2 GLN 47 2HB GLN 47 -11.426 -10.451 -0.608 404 HB3 GLN 47 3HB GLN 47 -12.143 -9.923 -2.129 405 HG2 GLN 47 2HG GLN 47 -9.508 -11.385 -1.803 406 HG3 GLN 47 3HG GLN 47 -11.015 -12.075 -2.398 407 HE21 GLN 47 1HE2 GLN 47 -8.283 -10.064 -3.173 408 HE22 GLN 47 2HE2 GLN 47 -8.591 -9.932 -4.867 409 H LYS 48 H LYS 48 -10.629 -8.211 1.044 410 HA LYS 48 HA LYS 48 -13.042 -6.731 1.131 411 HB2 LYS 48 2HB LYS 48 -10.740 -6.739 3.127 412 HB3 LYS 48 3HB LYS 48 -12.312 -6.013 3.432 413 HG2 LYS 48 2HG LYS 48 -11.807 -8.968 2.967 414 HG3 LYS 48 3HG LYS 48 -12.005 -8.208 4.537 415 HD2 LYS 48 2HD LYS 48 -14.128 -9.097 4.187 416 HD3 LYS 48 3HD LYS 48 -14.358 -7.459 3.583 417 HE2 LYS 48 2HE LYS 48 -14.180 -8.254 1.274 418 HE3 LYS 48 3HE LYS 48 -13.742 -9.869 1.834 419 HZ1 LYS 48 3HZ LYS 48 -15.901 -10.143 2.778 420 HZ2 LYS 48 1HZ LYS 48 -16.074 -9.677 1.161 421 HZ3 LYS 48 2HZ LYS 48 -16.339 -8.553 2.399 422 H LEU 49 H LEU 49 -9.654 -5.642 1.327 423 HA LEU 49 HA LEU 49 -10.130 -2.873 1.382 424 HB2 LEU 49 2HB LEU 49 -7.688 -4.464 0.531 425 HB3 LEU 49 3HB LEU 49 -7.687 -2.711 0.653 426 HG LEU 49 HG LEU 49 -8.208 -4.604 2.982 427 HD11 LEU 49 1HD1 LEU 49 -5.983 -3.973 3.784 428 HD12 LEU 49 2HD1 LEU 49 -5.701 -3.030 2.315 429 HD13 LEU 49 3HD1 LEU 49 -5.893 -4.784 2.222 430 HD21 LEU 49 3HD2 LEU 49 -9.343 -2.458 3.273 431 HD22 LEU 49 1HD2 LEU 49 -7.843 -1.588 2.934 432 HD23 LEU 49 2HD2 LEU 49 -7.983 -2.590 4.382 433 H LYS 50 H LYS 50 -9.593 -5.084 -1.386 434 HA LYS 50 HA LYS 50 -9.521 -3.020 -3.354 435 HB2 LYS 50 2HB LYS 50 -10.046 -6.002 -3.598 436 HB3 LYS 50 3HB LYS 50 -9.976 -4.919 -4.987 437 HG2 LYS 50 2HG LYS 50 -7.636 -4.271 -4.265 438 HG3 LYS 50 3HG LYS 50 -7.727 -5.533 -3.038 439 HD2 LYS 50 2HD LYS 50 -6.501 -6.320 -5.007 440 HD3 LYS 50 3HD LYS 50 -7.998 -7.238 -4.812 441 HE2 LYS 50 2HE LYS 50 -9.062 -5.956 -6.597 442 HE3 LYS 50 3HE LYS 50 -7.660 -4.888 -6.715 443 HZ1 LYS 50 3HZ LYS 50 -6.340 -6.658 -7.526 444 HZ2 LYS 50 1HZ LYS 50 -7.768 -6.646 -8.434 445 HZ3 LYS 50 2HZ LYS 50 -7.548 -7.806 -7.222 446 H SER 51 H SER 51 -12.167 -4.853 -1.870 447 HA SER 51 HA SER 51 -14.269 -3.841 -3.504 448 HB2 SER 51 2HB SER 51 -14.519 -5.850 -2.051 449 HB3 SER 51 3HB SER 51 -14.394 -4.823 -0.622 450 HG SER 51 HG SER 51 -16.368 -4.516 -2.638 451 H GLN 52 H GLN 52 -12.643 -2.634 -0.613 452 HA GLN 52 HA GLN 52 -14.293 -0.335 -0.146 453 HB2 GLN 52 2HB GLN 52 -11.404 -0.882 0.683 454 HB3 GLN 52 3HB GLN 52 -12.414 0.411 1.328 455 HG2 GLN 52 2HG GLN 52 -13.877 -1.164 2.408 456 HG3 GLN 52 3HG GLN 52 -13.115 -2.525 1.588 457 HE21 GLN 52 1HE2 GLN 52 -11.366 0.178 3.094 458 HE22 GLN 52 2HE2 GLN 52 -10.632 -0.779 4.330 459 H GLY 53 H GLY 53 -11.859 -1.078 -2.441 460 HA2 GLY 53 2HA GLY 53 -11.557 0.216 -4.408 461 HA3 GLY 53 3HA GLY 53 -11.868 1.682 -3.488 462 H PHE 54 H PHE 54 -9.628 -1.088 -3.438 463 HA PHE 54 HA PHE 54 -7.309 0.726 -3.665 464 HB2 PHE 54 2HB PHE 54 -7.494 -1.586 -1.648 465 HB3 PHE 54 3HB PHE 54 -6.017 -0.705 -2.027 466 HD1 PHE 54 HD2 PHE 54 -6.179 1.941 -1.709 467 HD2 PHE 54 HD1 PHE 54 -8.717 -0.906 0.245 468 HE1 PHE 54 HE2 PHE 54 -6.727 3.577 0.028 469 HE2 PHE 54 HE1 PHE 54 -9.255 0.751 1.974 470 HZ PHE 54 HZ PHE 54 -8.251 2.988 1.860 471 H GLU 55 H GLU 55 -5.383 -0.485 -4.465 472 HA GLU 55 HA GLU 55 -6.019 -3.103 -5.710 473 HB2 GLU 55 2HB GLU 55 -4.976 -1.028 -7.074 474 HB3 GLU 55 3HB GLU 55 -3.471 -1.575 -6.354 475 HG2 GLU 55 2HG GLU 55 -5.283 -3.085 -8.263 476 HG3 GLU 55 3HG GLU 55 -3.632 -2.547 -8.548 477 H VAL 56 H VAL 56 -5.151 -4.839 -4.653 478 HA VAL 56 HA VAL 56 -3.015 -4.380 -2.644 479 HB VAL 56 HB VAL 56 -5.405 -6.217 -2.165 480 HG11 VAL 56 1HG1 VAL 56 -4.633 -6.227 0.195 481 HG12 VAL 56 2HG1 VAL 56 -3.264 -5.208 -0.255 482 HG13 VAL 56 3HG1 VAL 56 -3.391 -6.844 -0.898 483 HG21 VAL 56 3HG2 VAL 56 -6.233 -3.909 -2.251 484 HG22 VAL 56 1HG2 VAL 56 -5.009 -3.407 -1.086 485 HG23 VAL 56 2HG2 VAL 56 -6.288 -4.519 -0.597 486 H ARG 57 H ARG 57 -1.558 -6.078 -2.360 487 HA ARG 57 HA ARG 57 -1.766 -8.432 -4.107 488 HB2 ARG 57 2HB ARG 57 -0.315 -6.389 -5.025 489 HB3 ARG 57 3HB ARG 57 0.887 -6.965 -3.885 490 HG2 ARG 57 2HG ARG 57 1.517 -8.042 -5.851 491 HG3 ARG 57 3HG ARG 57 0.540 -9.285 -5.064 492 HD2 ARG 57 2HD ARG 57 -0.303 -7.434 -7.323 493 HD3 ARG 57 3HD ARG 57 -0.070 -9.181 -7.412 494 HE ARG 57 HE ARG 57 -2.299 -7.762 -6.090 495 HH11 ARG 57 1HH1 ARG 57 -0.967 -10.785 -7.321 496 HH12 ARG 57 2HH1 ARG 57 -2.457 -11.642 -7.110 497 HH21 ARG 57 1HH2 ARG 57 -4.152 -8.956 -5.667 498 HH22 ARG 57 2HH2 ARG 57 -4.253 -10.613 -6.177 499 H LYS 58 H LYS 58 -0.809 -10.273 -3.270 500 HA LYS 58 HA LYS 58 -0.031 -10.314 -0.481 501 HB2 LYS 58 2HB LYS 58 -1.375 -12.135 -1.594 502 HB3 LYS 58 3HB LYS 58 0.020 -12.539 -2.574 503 HG2 LYS 58 2HG LYS 58 0.181 -12.670 0.442 504 HG3 LYS 58 3HG LYS 58 -0.562 -13.986 -0.460 505 HD2 LYS 58 2HD LYS 58 2.307 -13.009 -0.731 506 HD3 LYS 58 3HD LYS 58 1.772 -14.485 0.076 507 HE2 LYS 58 2HE LYS 58 1.562 -13.880 -2.898 508 HE3 LYS 58 3HE LYS 58 2.646 -15.037 -2.123 509 HZ1 LYS 58 3HZ LYS 58 0.663 -16.250 -1.354 510 HZ2 LYS 58 1HZ LYS 58 0.782 -16.198 -3.039 511 HZ3 LYS 58 2HZ LYS 58 -0.315 -15.195 -2.235 512 H VAL 59 H VAL 59 2.024 -10.138 0.250 513 HA VAL 59 HA VAL 59 4.306 -10.648 -1.568 514 HB VAL 59 HB VAL 59 5.599 -8.880 -0.244 515 HG11 VAL 59 1HG1 VAL 59 3.262 -7.873 -1.908 516 HG12 VAL 59 2HG1 VAL 59 4.804 -8.456 -2.540 517 HG13 VAL 59 3HG1 VAL 59 4.750 -6.987 -1.563 518 HG21 VAL 59 3HG2 VAL 59 4.079 -8.729 1.699 519 HG22 VAL 59 1HG2 VAL 59 2.815 -8.059 0.668 520 HG23 VAL 59 2HG2 VAL 59 4.302 -7.146 0.946 521 H LYS 60 H LYS 60 6.271 -11.237 -0.497 522 HA LYS 60 HA LYS 60 5.750 -13.039 1.787 523 HB2 LYS 60 2HB LYS 60 7.856 -13.224 -0.413 524 HB3 LYS 60 3HB LYS 60 7.672 -14.376 0.903 525 HG2 LYS 60 2HG LYS 60 5.649 -13.836 -1.299 526 HG3 LYS 60 3HG LYS 60 6.709 -15.244 -1.186 527 HD2 LYS 60 2HD LYS 60 4.475 -14.513 0.754 528 HD3 LYS 60 3HD LYS 60 4.429 -15.792 -0.459 529 HE2 LYS 60 2HE LYS 60 6.291 -15.710 1.947 530 HE3 LYS 60 3HE LYS 60 4.846 -16.708 1.786 531 HZ1 LYS 60 3HZ LYS 60 7.249 -16.891 0.044 532 HZ2 LYS 60 1HZ LYS 60 5.874 -17.870 -0.049 533 HZ3 LYS 60 2HZ LYS 60 6.873 -17.945 1.312 534 H ASP 61 H ASP 61 8.658 -11.546 0.368 535 HA ASP 61 HA ASP 61 9.751 -11.101 3.087 536 HB2 ASP 61 2HB ASP 61 10.920 -12.485 1.135 537 HB3 ASP 61 3HB ASP 61 11.354 -10.908 0.495 538 H ASP 62 H ASP 62 10.928 -9.013 3.454 539 HA ASP 62 HA ASP 62 9.736 -6.694 2.304 540 HB2 ASP 62 2HB ASP 62 12.214 -7.064 4.046 541 HB3 ASP 62 3HB ASP 62 11.584 -5.483 3.576 542 H ASP 63 H ASP 63 12.857 -8.290 1.813 543 HA ASP 63 HA ASP 63 13.939 -6.962 -0.319 544 HB2 ASP 63 2HB ASP 63 14.983 -8.944 0.701 545 HB3 ASP 63 3HB ASP 63 13.722 -9.985 0.040 546 H ASP 64 H ASP 64 11.180 -9.198 -0.427 547 HA ASP 64 HA ASP 64 10.776 -9.176 -3.282 548 HB2 ASP 64 2HB ASP 64 9.967 -11.084 -2.013 549 HB3 ASP 64 3HB ASP 64 9.028 -10.051 -0.946 550 H ILE 65 H ILE 65 9.491 -7.395 -0.528 551 HA ILE 65 HA ILE 65 7.451 -5.878 -1.778 552 HB ILE 65 HB ILE 65 9.136 -5.365 0.700 553 HG12 ILE 65 2HG1 ILE 65 6.184 -6.053 0.369 554 HG13 ILE 65 3HG1 ILE 65 7.457 -7.195 0.787 555 HG21 ILE 65 1HG2 ILE 65 8.587 -3.126 -0.144 556 HG22 ILE 65 2HG2 ILE 65 7.671 -3.465 1.325 557 HG23 ILE 65 3HG2 ILE 65 6.881 -3.564 -0.249 558 HD11 ILE 65 3HD1 ILE 65 7.833 -6.050 2.884 559 HD12 ILE 65 1HD1 ILE 65 6.144 -6.521 2.712 560 HD13 ILE 65 2HD1 ILE 65 6.613 -4.842 2.469 561 H ASP 66 H ASP 66 10.854 -5.010 -1.118 562 HA ASP 66 HA ASP 66 10.806 -2.460 -2.329 563 HB2 ASP 66 2HB ASP 66 12.488 -3.257 -0.649 564 HB3 ASP 66 3HB ASP 66 13.198 -4.309 -1.878 565 H LYS 67 H LYS 67 11.538 -5.665 -3.523 566 HA LYS 67 HA LYS 67 12.410 -4.960 -6.152 567 HB2 LYS 67 2HB LYS 67 12.341 -7.345 -4.661 568 HB3 LYS 67 3HB LYS 67 11.163 -7.648 -5.921 569 HG2 LYS 67 2HG LYS 67 13.193 -8.485 -6.782 570 HG3 LYS 67 3HG LYS 67 12.964 -6.937 -7.598 571 HD2 LYS 67 2HD LYS 67 15.307 -7.172 -6.915 572 HD3 LYS 67 3HD LYS 67 14.561 -5.870 -5.981 573 HE2 LYS 67 2HE LYS 67 14.327 -7.348 -4.052 574 HE3 LYS 67 3HE LYS 67 14.909 -8.722 -4.990 575 HZ1 LYS 67 3HZ LYS 67 17.047 -7.737 -5.137 576 HZ2 LYS 67 1HZ LYS 67 16.575 -7.733 -3.511 577 HZ3 LYS 67 2HZ LYS 67 16.515 -6.303 -4.419 578 H TRP 68 H TRP 68 9.305 -5.592 -4.666 579 HA TRP 68 HA TRP 68 7.674 -5.788 -6.953 580 HB2 TRP 68 2HB TRP 68 7.123 -6.288 -4.407 581 HB3 TRP 68 3HB TRP 68 6.628 -4.602 -4.345 582 HD1 TRP 68 HD1 TRP 68 5.618 -8.000 -5.711 583 HE1 TRP 68 HE1 TRP 68 3.215 -7.860 -6.629 584 HE3 TRP 68 HE3 TRP 68 4.863 -2.942 -5.365 585 HZ2 TRP 68 HZ2 TRP 68 1.261 -5.896 -7.125 586 HZ3 TRP 68 HZ3 TRP 68 2.687 -2.020 -6.072 587 HH2 TRP 68 HH2 TRP 68 0.922 -3.471 -6.935 588 H ILE 69 H ILE 69 8.967 -3.022 -5.240 589 HA ILE 69 HA ILE 69 7.425 -1.059 -6.765 590 HB ILE 69 HB ILE 69 9.511 -0.838 -4.570 591 HG12 ILE 69 2HG1 ILE 69 7.703 0.587 -3.500 592 HG13 ILE 69 3HG1 ILE 69 6.670 0.242 -4.880 593 HG21 ILE 69 1HG2 ILE 69 10.257 0.864 -6.154 594 HG22 ILE 69 2HG2 ILE 69 9.513 1.642 -4.756 595 HG23 ILE 69 3HG2 ILE 69 8.618 1.510 -6.270 596 HD11 ILE 69 3HD1 ILE 69 7.765 -1.803 -2.964 597 HD12 ILE 69 1HD1 ILE 69 6.633 -2.106 -4.285 598 HD13 ILE 69 2HD1 ILE 69 6.149 -1.109 -2.913 599 H ASP 70 H ASP 70 10.641 -2.488 -6.726 600 HA ASP 70 HA ASP 70 11.957 -0.906 -8.599 601 HB2 ASP 70 2HB ASP 70 13.116 -2.601 -7.238 602 HB3 ASP 70 3HB ASP 70 12.275 -3.898 -8.084 603 H LYS 71 H LYS 71 9.845 -3.732 -9.118 604 HA LYS 71 HA LYS 71 10.045 -3.657 -11.968 605 HB2 LYS 71 2HB LYS 71 8.333 -5.375 -12.012 606 HB3 LYS 71 3HB LYS 71 9.509 -5.740 -10.760 607 HG2 LYS 71 2HG LYS 71 7.917 -4.894 -9.046 608 HG3 LYS 71 3HG LYS 71 6.726 -4.608 -10.311 609 HD2 LYS 71 2HD LYS 71 6.116 -6.676 -9.309 610 HD3 LYS 71 3HD LYS 71 6.876 -7.115 -10.836 611 HE2 LYS 71 2HE LYS 71 8.287 -7.166 -8.142 612 HE3 LYS 71 3HE LYS 71 7.517 -8.566 -8.882 613 HZ1 LYS 71 3HZ LYS 71 9.054 -8.348 -10.746 614 HZ2 LYS 71 1HZ LYS 71 9.865 -8.605 -9.285 615 HZ3 LYS 71 2HZ LYS 71 9.832 -7.061 -9.975 616 H ILE 72 H ILE 72 7.837 -2.079 -9.635 617 HA ILE 72 HA ILE 72 5.882 -1.098 -11.434 618 HB ILE 72 HB ILE 72 7.014 0.243 -8.930 619 HG12 ILE 72 2HG1 ILE 72 4.368 -1.221 -9.340 620 HG13 ILE 72 3HG1 ILE 72 5.771 -1.859 -8.488 621 HG21 ILE 72 1HG2 ILE 72 4.566 1.123 -10.504 622 HG22 ILE 72 2HG2 ILE 72 6.088 2.003 -10.390 623 HG23 ILE 72 3HG2 ILE 72 5.086 1.794 -8.957 624 HD11 ILE 72 3HD1 ILE 72 5.547 -0.077 -6.800 625 HD12 ILE 72 1HD1 ILE 72 4.104 -1.075 -6.921 626 HD13 ILE 72 2HD1 ILE 72 4.118 0.528 -7.642 627 H LYS 73 H LYS 73 9.124 0.081 -10.617 628 HA LYS 73 HA LYS 73 9.018 2.517 -12.053 629 HB2 LYS 73 2HB LYS 73 11.435 0.830 -11.284 630 HB3 LYS 73 3HB LYS 73 11.508 2.496 -11.860 631 HG2 LYS 73 2HG LYS 73 10.133 3.181 -9.861 632 HG3 LYS 73 3HG LYS 73 10.250 1.521 -9.268 633 HD2 LYS 73 2HD LYS 73 12.584 3.420 -9.756 634 HD3 LYS 73 3HD LYS 73 11.927 2.968 -8.181 635 HE2 LYS 73 2HE LYS 73 12.602 0.630 -8.564 636 HE3 LYS 73 3HE LYS 73 13.229 1.058 -10.156 637 HZ1 LYS 73 3HZ LYS 73 14.976 0.919 -8.515 638 HZ2 LYS 73 1HZ LYS 73 14.233 2.112 -7.570 639 HZ3 LYS 73 2HZ LYS 73 14.837 2.493 -9.101 640 H LYS 74 H LYS 74 9.410 -0.772 -13.154 641 HA LYS 74 HA LYS 74 10.256 0.010 -15.838 642 HB2 LYS 74 2HB LYS 74 11.158 -2.061 -14.874 643 HB3 LYS 74 3HB LYS 74 9.531 -2.699 -14.646 644 HG2 LYS 74 2HG LYS 74 9.200 -2.798 -17.086 645 HG3 LYS 74 3HG LYS 74 10.788 -2.075 -17.346 646 HD2 LYS 74 2HD LYS 74 10.275 -4.780 -16.044 647 HD3 LYS 74 3HD LYS 74 10.810 -4.528 -17.705 648 HE2 LYS 74 2HE LYS 74 12.910 -3.526 -16.892 649 HE3 LYS 74 3HE LYS 74 12.373 -3.722 -15.222 650 HZ1 LYS 74 3HZ LYS 74 12.881 -5.923 -17.153 651 HZ2 LYS 74 1HZ LYS 74 12.330 -6.119 -15.566 652 HZ3 LYS 74 2HZ LYS 74 13.870 -5.484 -15.853 653 H GLU 75 H GLU 75 7.343 -1.246 -14.206 654 HA GLU 75 HA GLU 75 5.872 -1.747 -16.621 655 HB2 GLU 75 2HB GLU 75 4.937 -1.661 -13.716 656 HB3 GLU 75 3HB GLU 75 3.960 -2.233 -15.064 657 HG2 GLU 75 2HG GLU 75 6.528 -3.502 -14.053 658 HG3 GLU 75 3HG GLU 75 4.892 -4.103 -13.787 659 H ARG 76 H ARG 76 5.582 0.652 -14.021 660 HA ARG 76 HA ARG 76 4.186 2.557 -15.766 661 HB2 ARG 76 2HB ARG 76 2.415 2.890 -14.017 662 HB3 ARG 76 3HB ARG 76 2.379 1.300 -14.763 663 HG2 ARG 76 2HG ARG 76 3.737 0.527 -12.661 664 HG3 ARG 76 3HG ARG 76 3.200 2.047 -11.948 665 HD2 ARG 76 2HD ARG 76 1.666 0.364 -11.232 666 HD3 ARG 76 3HD ARG 76 0.819 1.310 -12.461 667 HE ARG 76 HE ARG 76 1.841 -0.671 -13.944 668 HH11 ARG 76 1HH1 ARG 76 0.045 -0.819 -10.915 669 HH12 ARG 76 2HH1 ARG 76 -0.617 -2.384 -11.257 670 HH21 ARG 76 1HH2 ARG 76 0.981 -2.739 -14.326 671 HH22 ARG 76 2HH2 ARG 76 -0.093 -3.459 -13.172 672 HA PRO 77 HA PRO 77 7.171 4.803 -13.033 673 HB2 PRO 77 2HB PRO 77 9.034 5.548 -14.830 674 HB3 PRO 77 3HB PRO 77 8.961 3.875 -14.239 675 HG2 PRO 77 2HG PRO 77 8.068 4.971 -16.877 676 HG3 PRO 77 3HG PRO 77 8.808 3.401 -16.492 677 HD2 PRO 77 2HD PRO 77 6.018 3.910 -16.815 678 HD3 PRO 77 3HD PRO 77 6.758 2.422 -16.180 679 H GLN 78 H GLN 78 4.770 5.684 -14.986 680 HA GLN 78 HA GLN 78 5.499 8.499 -15.420 681 HB2 GLN 78 2HB GLN 78 2.924 7.023 -16.105 682 HB3 GLN 78 3HB GLN 78 3.372 8.640 -16.642 683 HG2 GLN 78 2HG GLN 78 5.238 7.714 -17.947 684 HG3 GLN 78 3HG GLN 78 4.855 6.092 -17.377 685 HE21 GLN 78 1HE2 GLN 78 1.944 6.435 -17.647 686 HE22 GLN 78 2HE2 GLN 78 1.622 6.394 -19.341 687 H LEU 79 H LEU 79 4.747 6.983 -12.776 688 HA LEU 79 HA LEU 79 3.363 9.252 -11.547 689 HB2 LEU 79 2HB LEU 79 2.111 7.445 -10.117 690 HB3 LEU 79 3HB LEU 79 1.513 7.837 -11.715 691 HG LEU 79 HG LEU 79 2.731 5.740 -12.583 692 HD11 LEU 79 1HD1 LEU 79 2.997 5.086 -9.642 693 HD12 LEU 79 2HD1 LEU 79 4.308 5.352 -10.791 694 HD13 LEU 79 3HD1 LEU 79 3.256 3.951 -10.971 695 HD21 LEU 79 3HD2 LEU 79 0.490 5.295 -10.590 696 HD22 LEU 79 1HD2 LEU 79 0.965 4.189 -11.881 697 HD23 LEU 79 2HD2 LEU 79 0.305 5.773 -12.276 698 H GLU 80 H GLU 80 3.807 9.427 -9.228 699 HA GLU 80 HA GLU 80 6.529 8.698 -8.556 700 HB2 GLU 80 2HB GLU 80 4.412 10.136 -6.906 701 HB3 GLU 80 3HB GLU 80 6.119 10.017 -6.490 702 HG2 GLU 80 2HG GLU 80 4.920 11.471 -8.865 703 HG3 GLU 80 3HG GLU 80 5.649 12.201 -7.433 704 H VAL 81 H VAL 81 7.188 7.337 -6.803 705 HA VAL 81 HA VAL 81 5.137 5.523 -5.676 706 HB VAL 81 HB VAL 81 7.902 4.533 -6.520 707 HG11 VAL 81 1HG1 VAL 81 5.318 3.063 -5.882 708 HG12 VAL 81 2HG1 VAL 81 6.726 3.197 -4.825 709 HG13 VAL 81 3HG1 VAL 81 6.844 2.302 -6.342 710 HG21 VAL 81 3HG2 VAL 81 6.910 3.539 -8.557 711 HG22 VAL 81 1HG2 VAL 81 6.793 5.300 -8.592 712 HG23 VAL 81 2HG2 VAL 81 5.371 4.328 -8.205 713 H ARG 82 H ARG 82 5.215 5.615 -3.515 714 HA ARG 82 HA ARG 82 7.806 5.899 -2.080 715 HB2 ARG 82 2HB ARG 82 6.488 7.987 -1.911 716 HB3 ARG 82 3HB ARG 82 5.079 7.085 -1.373 717 HG2 ARG 82 2HG ARG 82 6.111 8.233 0.501 718 HG3 ARG 82 3HG ARG 82 6.257 6.488 0.716 719 HD2 ARG 82 2HD ARG 82 8.314 7.675 1.356 720 HD3 ARG 82 3HD ARG 82 8.608 6.582 0.004 721 HE ARG 82 HE ARG 82 8.227 8.802 -1.353 722 HH11 ARG 82 1HH1 ARG 82 10.028 8.493 1.676 723 HH12 ARG 82 2HH1 ARG 82 11.085 9.822 1.311 724 HH21 ARG 82 1HH2 ARG 82 9.626 10.518 -1.807 725 HH22 ARG 82 2HH2 ARG 82 10.853 10.971 -0.668 726 H LYS 83 H LYS 83 8.128 4.393 -0.417 727 HA LYS 83 HA LYS 83 6.065 2.301 -0.035 728 HB2 LYS 83 2HB LYS 83 8.992 2.219 0.819 729 HB3 LYS 83 3HB LYS 83 7.827 0.900 0.953 730 HG2 LYS 83 2HG LYS 83 7.638 1.039 -1.609 731 HG3 LYS 83 3HG LYS 83 9.087 2.047 -1.550 732 HD2 LYS 83 2HD LYS 83 8.799 -0.850 -0.654 733 HD3 LYS 83 3HD LYS 83 9.757 -0.234 -2.000 734 HE2 LYS 83 2HE LYS 83 10.298 0.222 0.955 735 HE3 LYS 83 3HE LYS 83 11.218 -0.807 -0.141 736 HZ1 LYS 83 3HZ LYS 83 10.968 2.141 -0.398 737 HZ2 LYS 83 1HZ LYS 83 11.919 1.126 -1.360 738 HZ3 LYS 83 2HZ LYS 83 12.285 1.331 0.274 739 H VAL 84 H VAL 84 5.062 2.082 1.859 740 HA VAL 84 HA VAL 84 5.944 3.584 4.251 741 HB VAL 84 HB VAL 84 3.156 3.180 3.080 742 HG11 VAL 84 1HG1 VAL 84 2.215 4.317 5.051 743 HG12 VAL 84 2HG1 VAL 84 3.805 4.330 5.812 744 HG13 VAL 84 3HG1 VAL 84 2.987 2.797 5.504 745 HG21 VAL 84 3HG2 VAL 84 4.429 5.073 2.142 746 HG22 VAL 84 1HG2 VAL 84 4.682 5.720 3.766 747 HG23 VAL 84 2HG2 VAL 84 3.057 5.641 3.089 748 H THR 85 H THR 85 6.941 1.853 5.260 749 HA THR 85 HA THR 85 5.571 -0.694 5.676 750 HB THR 85 HB THR 85 7.642 -1.244 7.035 751 HG1 THR 85 HG1 THR 85 8.330 0.752 7.725 752 HG21 THR 85 3HG2 THR 85 8.203 -0.196 4.232 753 HG22 THR 85 1HG2 THR 85 7.547 -1.792 4.613 754 HG23 THR 85 2HG2 THR 85 9.185 -1.366 5.115 755 H ASP 86 H ASP 86 6.374 2.226 7.523 756 HA ASP 86 HA ASP 86 5.093 1.196 9.990 757 HB2 ASP 86 2HB ASP 86 6.687 3.762 9.485 758 HB3 ASP 86 3HB ASP 86 5.994 3.299 11.043 759 H GLU 87 H GLU 87 3.361 2.269 10.978 760 HA GLU 87 HA GLU 87 1.398 3.570 9.460 761 HB2 GLU 87 2HB GLU 87 0.982 2.482 11.681 762 HB3 GLU 87 3HB GLU 87 1.845 3.800 12.466 763 HG2 GLU 87 2HG GLU 87 0.054 5.337 11.289 764 HG3 GLU 87 3HG GLU 87 -0.860 3.845 11.110 765 H ASP 88 H ASP 88 4.024 4.849 11.463 766 HA ASP 88 HA ASP 88 3.433 7.568 11.599 767 HB2 ASP 88 2HB ASP 88 5.209 6.556 12.930 768 HB3 ASP 88 3HB ASP 88 6.127 6.136 11.485 769 H GLN 89 H GLN 89 4.890 5.717 9.015 770 HA GLN 89 HA GLN 89 5.676 7.946 7.368 771 HB2 GLN 89 2HB GLN 89 5.399 4.997 6.622 772 HB3 GLN 89 3HB GLN 89 6.274 6.230 5.710 773 HG2 GLN 89 2HG GLN 89 7.888 6.493 7.523 774 HG3 GLN 89 3HG GLN 89 6.986 5.362 8.533 775 HE21 GLN 89 1HE2 GLN 89 9.742 5.151 7.791 776 HE22 GLN 89 2HE2 GLN 89 9.908 3.669 6.917 777 H ALA 90 H ALA 90 2.845 5.829 7.643 778 HA ALA 90 HA ALA 90 1.445 6.786 5.333 779 HB1 ALA 90 3HB ALA 90 0.348 5.423 7.816 780 HB2 ALA 90 1HB ALA 90 0.904 4.610 6.349 781 HB3 ALA 90 2HB ALA 90 -0.521 5.646 6.296 782 H LYS 91 H LYS 91 1.760 7.897 8.610 783 HA LYS 91 HA LYS 91 -0.267 9.955 8.495 784 HB2 LYS 91 2HB LYS 91 2.124 9.804 10.381 785 HB3 LYS 91 3HB LYS 91 0.618 10.686 10.638 786 HG2 LYS 91 2HG LYS 91 -0.622 8.595 10.876 787 HG3 LYS 91 3HG LYS 91 0.809 7.669 10.443 788 HD2 LYS 91 2HD LYS 91 0.851 7.446 12.754 789 HD3 LYS 91 3HD LYS 91 1.894 8.853 12.548 790 HE2 LYS 91 2HE LYS 91 0.366 9.293 14.355 791 HE3 LYS 91 3HE LYS 91 -0.127 10.303 12.997 792 HZ1 LYS 91 3HZ LYS 91 -1.832 8.683 12.465 793 HZ2 LYS 91 1HZ LYS 91 -2.011 9.222 14.058 794 HZ3 LYS 91 2HZ LYS 91 -1.349 7.695 13.750 795 H GLN 92 H GLN 92 3.154 9.659 7.788 796 HA GLN 92 HA GLN 92 3.784 12.444 7.655 797 HB2 GLN 92 2HB GLN 92 5.463 10.668 8.168 798 HB3 GLN 92 3HB GLN 92 5.279 10.033 6.538 799 HG2 GLN 92 2HG GLN 92 7.329 11.372 6.775 800 HG3 GLN 92 3HG GLN 92 6.231 12.083 5.593 801 HE21 GLN 92 1HE2 GLN 92 5.279 14.087 6.046 802 HE22 GLN 92 2HE2 GLN 92 5.769 15.082 7.375 803 H ILE 93 H ILE 93 3.015 9.944 5.209 804 HA ILE 93 HA ILE 93 3.402 11.529 2.933 805 HB ILE 93 HB ILE 93 1.947 9.905 1.686 806 HG12 ILE 93 2HG1 ILE 93 1.583 8.695 4.459 807 HG13 ILE 93 3HG1 ILE 93 0.324 9.397 3.453 808 HG21 ILE 93 1HG2 ILE 93 4.073 8.652 3.467 809 HG22 ILE 93 2HG2 ILE 93 4.355 9.504 1.947 810 HG23 ILE 93 3HG2 ILE 93 3.464 7.983 1.947 811 HD11 ILE 93 3HD1 ILE 93 0.625 7.588 1.839 812 HD12 ILE 93 1HD1 ILE 93 0.195 7.007 3.446 813 HD13 ILE 93 2HD1 ILE 93 1.857 6.877 2.882 814 H LEU 94 H LEU 94 0.569 11.286 5.030 815 HA LEU 94 HA LEU 94 -1.350 12.679 3.594 816 HB2 LEU 94 2HB LEU 94 -0.663 12.825 6.550 817 HB3 LEU 94 3HB LEU 94 -2.091 13.599 5.881 818 HG LEU 94 HG LEU 94 -1.570 10.603 5.690 819 HD11 LEU 94 1HD1 LEU 94 -3.170 10.302 7.507 820 HD12 LEU 94 2HD1 LEU 94 -3.297 12.052 7.717 821 HD13 LEU 94 3HD1 LEU 94 -1.769 11.227 8.045 822 HD21 LEU 94 3HD2 LEU 94 -4.098 12.219 5.208 823 HD22 LEU 94 1HD2 LEU 94 -3.960 10.456 5.136 824 HD23 LEU 94 2HD2 LEU 94 -3.096 11.454 3.973 825 H GLU 95 H GLU 95 1.523 13.970 5.213 826 HA GLU 95 HA GLU 95 1.019 16.733 4.488 827 HB2 GLU 95 2HB GLU 95 3.558 15.388 5.496 828 HB3 GLU 95 3HB GLU 95 3.340 17.125 5.294 829 HG2 GLU 95 2HG GLU 95 1.510 17.041 6.997 830 HG3 GLU 95 3HG GLU 95 1.884 15.332 7.251 831 H ASP 96 H ASP 96 3.359 14.249 3.519 832 HA ASP 96 HA ASP 96 4.924 15.337 1.599 833 HB2 ASP 96 2HB ASP 96 5.203 13.026 2.272 834 HB3 ASP 96 3HB ASP 96 3.666 12.586 1.550 835 H LEU 97 H LEU 97 1.688 14.042 0.858 836 HA LEU 97 HA LEU 97 1.535 14.435 -1.899 837 HB2 LEU 97 2HB LEU 97 -0.492 14.305 0.330 838 HB3 LEU 97 3HB LEU 97 -1.054 14.773 -1.262 839 HG LEU 97 HG LEU 97 -0.540 12.632 -2.208 840 HD11 LEU 97 1HD1 LEU 97 0.590 10.809 -1.088 841 HD12 LEU 97 2HD1 LEU 97 0.850 11.808 0.344 842 HD13 LEU 97 3HD1 LEU 97 1.651 12.213 -1.176 843 HD21 LEU 97 3HD2 LEU 97 -2.590 12.734 -0.870 844 HD22 LEU 97 1HD2 LEU 97 -1.704 12.157 0.546 845 HD23 LEU 97 2HD2 LEU 97 -1.890 11.120 -0.872 846 H LYS 98 H LYS 98 1.090 16.641 0.697 847 HA LYS 98 HA LYS 98 0.025 18.848 -0.915 848 HB2 LYS 98 2HB LYS 98 0.618 18.879 2.083 849 HB3 LYS 98 3HB LYS 98 -0.378 20.026 1.183 850 HG2 LYS 98 2HG LYS 98 -0.996 17.101 1.713 851 HG3 LYS 98 3HG LYS 98 -1.813 18.493 2.426 852 HD2 LYS 98 2HD LYS 98 -2.852 19.068 0.327 853 HD3 LYS 98 3HD LYS 98 -1.817 17.957 -0.574 854 HE2 LYS 98 2HE LYS 98 -3.976 16.935 -0.417 855 HE3 LYS 98 3HE LYS 98 -2.920 16.051 0.680 856 HZ1 LYS 98 3HZ LYS 98 -4.919 18.117 1.423 857 HZ2 LYS 98 1HZ LYS 98 -3.874 17.360 2.511 858 HZ3 LYS 98 2HZ LYS 98 -5.044 16.453 1.695 859 H LYS 99 H LYS 99 2.924 17.970 0.872 860 HA LYS 99 HA LYS 99 4.372 20.363 0.821 861 HB2 LYS 99 2HB LYS 99 5.333 17.474 0.832 862 HB3 LYS 99 3HB LYS 99 6.427 18.843 1.000 863 HG2 LYS 99 2HG LYS 99 5.289 19.490 3.104 864 HG3 LYS 99 3HG LYS 99 4.207 18.095 2.943 865 HD2 LYS 99 2HD LYS 99 6.160 16.561 3.037 866 HD3 LYS 99 3HD LYS 99 7.250 17.943 3.158 867 HE2 LYS 99 2HE LYS 99 5.163 17.160 5.214 868 HE3 LYS 99 3HE LYS 99 6.891 16.853 5.343 869 HZ1 LYS 99 3HZ LYS 99 7.240 19.269 5.291 870 HZ2 LYS 99 1HZ LYS 99 6.308 18.777 6.612 871 HZ3 LYS 99 2HZ LYS 99 5.568 19.504 5.281 872 H LYS 100 H LYS 100 4.582 17.559 -1.397 873 HA LYS 100 HA LYS 100 5.429 19.187 -3.639 874 HB2 LYS 100 2HB LYS 100 7.529 18.865 -2.264 875 HB3 LYS 100 3HB LYS 100 7.371 17.127 -2.475 876 HG2 LYS 100 2HG LYS 100 9.022 17.980 -4.038 877 HG3 LYS 100 3HG LYS 100 7.606 17.435 -4.939 878 HD2 LYS 100 2HD LYS 100 8.449 19.557 -5.851 879 HD3 LYS 100 3HD LYS 100 6.837 19.777 -5.169 880 HE2 LYS 100 2HE LYS 100 7.870 20.755 -3.123 881 HE3 LYS 100 3HE LYS 100 9.464 20.556 -3.852 882 HZ1 LYS 100 3HZ LYS 100 7.275 22.242 -4.933 883 HZ2 LYS 100 1HZ LYS 100 8.808 22.046 -5.620 884 HZ3 LYS 100 2HZ LYS 100 8.646 22.796 -4.116 885 H GLY 101 H GLY 101 4.799 18.245 -5.489 886 HA2 GLY 101 2HA GLY 101 3.939 15.419 -5.574 887 HA3 GLY 101 3HA GLY 101 3.605 16.668 -6.767 888 H SER 102 H SER 102 6.244 17.672 -7.031 889 HA SER 102 HA SER 102 8.137 15.673 -7.763 890 HB2 SER 102 2HB SER 102 6.595 15.258 -9.646 891 HB3 SER 102 3HB SER 102 6.566 16.975 -10.042 892 HG SER 102 HG SER 102 8.747 15.172 -10.244 893 H LEU 103 H LEU 103 10.119 16.606 -7.862 894 HA LEU 103 HA LEU 103 10.494 19.454 -7.586 895 HB2 LEU 103 2HB LEU 103 12.501 17.187 -7.951 896 HB3 LEU 103 3HB LEU 103 12.936 18.847 -7.569 897 HG LEU 103 HG LEU 103 11.318 17.005 -5.758 898 HD11 LEU 103 1HD1 LEU 103 14.223 17.854 -5.523 899 HD12 LEU 103 2HD1 LEU 103 13.639 16.249 -5.966 900 HD13 LEU 103 3HD1 LEU 103 13.317 16.881 -4.354 901 HD21 LEU 103 3HD2 LEU 103 12.445 19.771 -5.203 902 HD22 LEU 103 1HD2 LEU 103 11.596 18.733 -4.051 903 HD23 LEU 103 2HD2 LEU 103 10.742 19.375 -5.449 904 H GLU 104 H GLU 104 11.357 16.985 -9.991 905 HA GLU 104 HA GLU 104 12.768 18.763 -11.718 906 HB2 GLU 104 2HB GLU 104 11.773 15.932 -12.271 907 HB3 GLU 104 3HB GLU 104 12.991 16.802 -13.203 908 HG2 GLU 104 2HG GLU 104 13.254 15.905 -10.313 909 HG3 GLU 104 3HG GLU 104 14.035 15.160 -11.708 910 H HIS 105 H HIS 105 9.448 17.672 -11.569 911 HA HIS 105 HA HIS 105 8.781 18.838 -14.190 912 HB2 HIS 105 2HB HIS 105 7.006 17.413 -12.147 913 HB3 HIS 105 3HB HIS 105 6.471 17.998 -13.718 914 HD1 HIS 105 HD1 HIS 105 6.131 16.002 -15.174 915 HD2 HIS 105 HD2 HIS 105 9.505 15.589 -12.786 916 HE1 HIS 105 HE1 HIS 105 7.185 13.833 -15.856 917 HE2 HIS 105 HE2 HIS 105 9.292 13.689 -14.501 918 H HIS 106 H HIS 106 9.075 21.009 -13.924 919 HA HIS 106 HA HIS 106 8.341 22.398 -11.483 920 HB2 HIS 106 2HB HIS 106 9.630 23.386 -14.065 921 HB3 HIS 106 3HB HIS 106 9.341 24.415 -12.664 922 HD1 HIS 106 HD1 HIS 106 10.902 24.170 -10.658 923 HD2 HIS 106 HD2 HIS 106 11.729 21.460 -13.697 924 HE1 HIS 106 HE1 HIS 106 13.078 23.087 -10.030 925 HE2 HIS 106 HE2 HIS 106 13.500 21.384 -11.826 926 H HIS 107 H HIS 107 6.075 21.927 -11.656 927 HA HIS 107 HA HIS 107 4.576 24.209 -12.519 928 HB2 HIS 107 2HB HIS 107 2.912 23.023 -13.936 929 HB3 HIS 107 3HB HIS 107 4.518 22.894 -14.655 930 HD1 HIS 107 HD1 HIS 107 1.744 20.876 -13.238 931 HD2 HIS 107 HD2 HIS 107 5.628 20.220 -14.541 932 HE1 HIS 107 HE1 HIS 107 1.998 18.386 -13.348 933 HE2 HIS 107 HE2 HIS 107 4.268 18.041 -14.375 934 H HIS 108 H HIS 108 3.347 24.535 -10.701 935 HA HIS 108 HA HIS 108 2.453 22.169 -9.146 936 HB2 HIS 108 2HB HIS 108 3.914 23.802 -7.895 937 HB3 HIS 108 3HB HIS 108 2.685 25.045 -8.137 938 HD1 HIS 108 HD1 HIS 108 1.405 25.310 -5.999 939 HD2 HIS 108 HD2 HIS 108 2.408 21.342 -6.695 940 HE1 HIS 108 HE1 HIS 108 0.392 24.009 -4.109 941 HE2 HIS 108 HE2 HIS 108 1.130 21.640 -4.484 942 H HIS 109 H HIS 109 1.362 25.416 -10.272 943 HA HIS 109 HA HIS 109 -1.417 24.517 -10.186 944 HB2 HIS 109 2HB HIS 109 -2.057 26.720 -10.994 945 HB3 HIS 109 3HB HIS 109 -0.895 26.916 -9.695 946 HD1 HIS 109 HD1 HIS 109 -1.489 27.660 -13.266 947 HD2 HIS 109 HD2 HIS 109 1.665 27.947 -10.573 948 HE1 HIS 109 HE1 HIS 109 0.176 29.200 -14.334 949 HE2 HIS 109 HE2 HIS 109 2.020 29.445 -12.639 950 H HIS 110 H HIS 110 -2.326 23.425 -11.782 951 HA HIS 110 HA HIS 110 -2.626 22.167 -13.612 952 HB2 HIS 110 2HB HIS 110 -2.961 24.285 -14.803 953 HB3 HIS 110 3HB HIS 110 -1.230 24.469 -15.037 954 HD1 HIS 110 HD1 HIS 110 -0.098 22.739 -16.708 955 HD2 HIS 110 HD2 HIS 110 -4.246 22.767 -16.741 956 HE1 HIS 110 HE1 HIS 110 -0.760 21.620 -18.854 957 HE2 HIS 110 HE2 HIS 110 -3.274 21.602 -18.815 Start of MODEL 17 1 H1 MET 1 1H MET 1 0.894 16.519 -13.216 2 H2 MET 1 2H MET 1 0.044 17.749 -14.002 3 H3 MET 1 3H MET 1 -0.768 16.682 -12.976 4 HA MET 1 HA MET 1 1.306 18.618 -12.170 5 HB2 MET 1 2HB MET 1 -1.699 18.654 -11.617 6 HB3 MET 1 3HB MET 1 -0.532 19.827 -11.014 7 HG2 MET 1 2HG MET 1 -1.729 20.794 -12.873 8 HG3 MET 1 3HG MET 1 -0.060 20.504 -13.373 9 HE1 MET 1 3HE MET 1 -2.466 21.061 -15.463 10 HE2 MET 1 1HE MET 1 -2.101 19.849 -16.692 11 HE3 MET 1 2HE MET 1 -0.794 20.775 -15.954 12 H GLY 2 H GLY 2 2.512 17.334 -10.830 13 HA2 GLY 2 2HA GLY 2 3.141 16.234 -8.939 14 HA3 GLY 2 3HA GLY 2 1.612 16.716 -8.229 15 H SER 3 H SER 3 2.628 14.485 -10.848 16 HA SER 3 HA SER 3 0.698 12.480 -10.237 17 HB2 SER 3 2HB SER 3 2.115 11.042 -11.802 18 HB3 SER 3 3HB SER 3 1.535 12.561 -12.492 19 HG SER 3 HG SER 3 4.062 12.432 -11.246 20 H LYS 4 H LYS 4 0.819 10.747 -8.908 21 HA LYS 4 HA LYS 4 3.223 9.695 -7.773 22 HB2 LYS 4 2HB LYS 4 3.151 11.762 -6.498 23 HB3 LYS 4 3HB LYS 4 1.465 11.520 -6.077 24 HG2 LYS 4 2HG LYS 4 1.960 9.954 -4.406 25 HG3 LYS 4 3HG LYS 4 3.482 9.475 -5.159 26 HD2 LYS 4 2HD LYS 4 3.724 10.798 -3.011 27 HD3 LYS 4 3HD LYS 4 4.597 11.452 -4.397 28 HE2 LYS 4 2HE LYS 4 2.684 13.074 -4.737 29 HE3 LYS 4 3HE LYS 4 1.986 12.474 -3.231 30 HZ1 LYS 4 3HZ LYS 4 3.989 13.164 -2.090 31 HZ2 LYS 4 1HZ LYS 4 3.251 14.464 -2.875 32 HZ3 LYS 4 2HZ LYS 4 4.634 13.757 -3.536 33 H ILE 5 H ILE 5 2.846 7.823 -6.626 34 HA ILE 5 HA ILE 5 0.128 7.039 -5.846 35 HB ILE 5 HB ILE 5 0.592 4.658 -6.447 36 HG12 ILE 5 2HG1 ILE 5 3.062 5.728 -7.897 37 HG13 ILE 5 3HG1 ILE 5 3.088 4.795 -6.407 38 HG21 ILE 5 1HG2 ILE 5 0.709 6.542 -8.828 39 HG22 ILE 5 2HG2 ILE 5 -0.746 5.979 -7.996 40 HG23 ILE 5 3HG2 ILE 5 0.249 4.834 -8.896 41 HD11 ILE 5 3HD1 ILE 5 3.667 3.456 -8.323 42 HD12 ILE 5 1HD1 ILE 5 2.110 3.802 -9.074 43 HD13 ILE 5 2HD1 ILE 5 2.184 2.879 -7.570 44 H ILE 6 H ILE 6 0.162 5.560 -4.084 45 HA ILE 6 HA ILE 6 2.686 5.457 -2.536 46 HB ILE 6 HB ILE 6 -0.154 5.693 -1.454 47 HG12 ILE 6 2HG1 ILE 6 0.659 7.857 -2.356 48 HG13 ILE 6 3HG1 ILE 6 0.514 7.924 -0.606 49 HG21 ILE 6 1HG2 ILE 6 0.847 5.783 0.774 50 HG22 ILE 6 2HG2 ILE 6 2.458 5.593 0.087 51 HG23 ILE 6 3HG2 ILE 6 1.288 4.278 -0.026 52 HD11 ILE 6 3HD1 ILE 6 2.480 9.079 -1.375 53 HD12 ILE 6 1HD1 ILE 6 3.074 7.623 -2.170 54 HD13 ILE 6 2HD1 ILE 6 2.946 7.680 -0.408 55 H VAL 7 H VAL 7 3.249 3.516 -1.775 56 HA VAL 7 HA VAL 7 1.475 1.175 -2.158 57 HB VAL 7 HB VAL 7 4.526 1.193 -2.221 58 HG11 VAL 7 1HG1 VAL 7 2.548 -1.061 -2.715 59 HG12 VAL 7 2HG1 VAL 7 3.624 -0.905 -1.325 60 HG13 VAL 7 3HG1 VAL 7 4.298 -1.179 -2.934 61 HG21 VAL 7 3HG2 VAL 7 2.578 0.850 -4.542 62 HG22 VAL 7 1HG2 VAL 7 4.335 0.689 -4.642 63 HG23 VAL 7 2HG2 VAL 7 3.612 2.254 -4.263 64 H ILE 8 H ILE 8 0.804 0.385 -0.235 65 HA ILE 8 HA ILE 8 2.267 1.119 2.214 66 HB ILE 8 HB ILE 8 -0.721 0.760 1.805 67 HG12 ILE 8 2HG1 ILE 8 0.992 3.208 2.436 68 HG13 ILE 8 3HG1 ILE 8 0.062 2.919 0.974 69 HG21 ILE 8 1HG2 ILE 8 -0.997 1.345 4.198 70 HG22 ILE 8 2HG2 ILE 8 0.758 1.337 4.395 71 HG23 ILE 8 3HG2 ILE 8 -0.091 -0.157 3.995 72 HD11 ILE 8 3HD1 ILE 8 -1.055 3.462 3.725 73 HD12 ILE 8 1HD1 ILE 8 -2.005 3.124 2.276 74 HD13 ILE 8 2HD1 ILE 8 -1.005 4.571 2.354 75 H ILE 9 H ILE 9 3.057 -0.407 3.317 76 HA ILE 9 HA ILE 9 2.550 -3.246 2.779 77 HB ILE 9 HB ILE 9 4.829 -1.874 4.295 78 HG12 ILE 9 2HG1 ILE 9 6.261 -2.978 2.434 79 HG13 ILE 9 3HG1 ILE 9 4.756 -3.278 1.582 80 HG21 ILE 9 1HG2 ILE 9 4.429 -4.856 3.848 81 HG22 ILE 9 2HG2 ILE 9 4.333 -4.012 5.394 82 HG23 ILE 9 3HG2 ILE 9 5.875 -4.115 4.544 83 HD11 ILE 9 3HD1 ILE 9 4.379 -0.863 1.417 84 HD12 ILE 9 1HD1 ILE 9 5.928 -1.335 0.717 85 HD13 ILE 9 2HD1 ILE 9 5.876 -0.568 2.306 86 H SER 10 H SER 10 0.740 -3.748 3.930 87 HA SER 10 HA SER 10 0.189 -2.497 6.514 88 HB2 SER 10 2HB SER 10 -1.593 -2.499 4.827 89 HB3 SER 10 3HB SER 10 -1.513 -4.258 4.707 90 HG SER 10 HG SER 10 -2.613 -2.650 6.697 91 H SER 11 H SER 11 1.242 -3.487 8.138 92 HA SER 11 HA SER 11 0.392 -6.201 8.845 93 HB2 SER 11 2HB SER 11 2.742 -6.589 9.819 94 HB3 SER 11 3HB SER 11 2.626 -6.623 8.065 95 HG SER 11 HG SER 11 3.099 -4.120 8.939 96 H ASP 12 H ASP 12 0.210 -6.534 11.077 97 HA ASP 12 HA ASP 12 -0.231 -6.165 13.237 98 HB2 ASP 12 2HB ASP 12 1.632 -3.781 12.943 99 HB3 ASP 12 3HB ASP 12 0.933 -4.267 14.481 100 H ASP 13 H ASP 13 -0.076 -2.746 12.161 101 HA ASP 13 HA ASP 13 -2.638 -2.195 13.426 102 HB2 ASP 13 2HB ASP 13 -0.749 -0.343 11.911 103 HB3 ASP 13 3HB ASP 13 -2.187 0.180 12.784 104 H THR 14 H THR 14 -4.536 -2.116 12.411 105 HA THR 14 HA THR 14 -4.838 -2.312 9.552 106 HB THR 14 HB THR 14 -6.504 -3.329 11.104 107 HG1 THR 14 HG1 THR 14 -7.031 -2.409 8.876 108 HG21 THR 14 3HG2 THR 14 -7.373 -0.483 11.723 109 HG22 THR 14 1HG2 THR 14 -6.567 -1.567 12.859 110 HG23 THR 14 2HG2 THR 14 -8.181 -1.956 12.259 111 H THR 15 H THR 15 -4.231 0.234 11.734 112 HA THR 15 HA THR 15 -5.469 2.493 10.797 113 HB THR 15 HB THR 15 -2.528 2.449 11.593 114 HG1 THR 15 HG1 THR 15 -3.111 2.132 13.635 115 HG21 THR 15 3HG2 THR 15 -4.704 4.535 12.067 116 HG22 THR 15 1HG2 THR 15 -3.411 4.670 10.870 117 HG23 THR 15 2HG2 THR 15 -3.025 4.658 12.592 118 H LEU 16 H LEU 16 -2.743 0.784 9.316 119 HA LEU 16 HA LEU 16 -1.962 2.813 7.457 120 HB2 LEU 16 2HB LEU 16 -1.491 -0.186 7.428 121 HB3 LEU 16 3HB LEU 16 -0.844 0.903 6.220 122 HG LEU 16 HG LEU 16 0.283 2.140 8.238 123 HD11 LEU 16 1HD1 LEU 16 0.847 0.720 10.155 124 HD12 LEU 16 2HD1 LEU 16 -0.237 -0.536 9.543 125 HD13 LEU 16 3HD1 LEU 16 -0.886 1.029 10.041 126 HD21 LEU 16 3HD2 LEU 16 1.540 0.950 6.506 127 HD22 LEU 16 1HD2 LEU 16 1.319 -0.574 7.372 128 HD23 LEU 16 2HD2 LEU 16 2.269 0.728 8.096 129 H GLU 17 H GLU 17 -4.253 0.150 7.376 130 HA GLU 17 HA GLU 17 -4.994 0.257 4.627 131 HB2 GLU 17 2HB GLU 17 -6.616 -0.705 7.021 132 HB3 GLU 17 3HB GLU 17 -6.916 -1.124 5.335 133 HG2 GLU 17 2HG GLU 17 -4.836 -2.402 5.248 134 HG3 GLU 17 3HG GLU 17 -4.410 -1.872 6.875 135 H GLU 18 H GLU 18 -6.147 1.796 7.604 136 HA GLU 18 HA GLU 18 -8.529 2.957 6.530 137 HB2 GLU 18 2HB GLU 18 -7.020 3.855 9.020 138 HB3 GLU 18 3HB GLU 18 -8.715 4.153 8.642 139 HG2 GLU 18 2HG GLU 18 -7.408 1.537 9.404 140 HG3 GLU 18 3HG GLU 18 -8.617 2.433 10.314 141 H LEU 19 H LEU 19 -5.338 4.322 7.350 142 HA LEU 19 HA LEU 19 -5.717 6.977 6.604 143 HB2 LEU 19 2HB LEU 19 -3.189 5.284 6.632 144 HB3 LEU 19 3HB LEU 19 -3.161 7.012 6.311 145 HG LEU 19 HG LEU 19 -4.192 5.779 8.902 146 HD11 LEU 19 1HD1 LEU 19 -1.492 7.058 8.397 147 HD12 LEU 19 2HD1 LEU 19 -1.798 5.342 8.692 148 HD13 LEU 19 3HD1 LEU 19 -2.119 6.522 9.961 149 HD21 LEU 19 3HD2 LEU 19 -3.583 8.674 8.213 150 HD22 LEU 19 1HD2 LEU 19 -4.071 8.063 9.798 151 HD23 LEU 19 2HD2 LEU 19 -5.186 7.967 8.439 152 H ALA 20 H ALA 20 -4.745 4.168 4.707 153 HA ALA 20 HA ALA 20 -3.806 5.162 2.337 154 HB1 ALA 20 3HB ALA 20 -4.522 3.042 1.320 155 HB2 ALA 20 1HB ALA 20 -5.602 2.737 2.682 156 HB3 ALA 20 2HB ALA 20 -3.855 2.774 2.931 157 H ARG 21 H ARG 21 -7.165 4.985 3.365 158 HA ARG 21 HA ARG 21 -8.472 5.538 0.936 159 HB2 ARG 21 2HB ARG 21 -9.687 4.630 2.848 160 HB3 ARG 21 3HB ARG 21 -9.303 6.043 3.821 161 HG2 ARG 21 2HG ARG 21 -11.623 6.118 3.078 162 HG3 ARG 21 3HG ARG 21 -10.710 7.446 2.361 163 HD2 ARG 21 2HD ARG 21 -10.476 6.031 0.268 164 HD3 ARG 21 3HD ARG 21 -11.591 4.873 1.007 165 HE ARG 21 HE ARG 21 -12.735 7.447 1.060 166 HH11 ARG 21 1HH1 ARG 21 -11.986 4.908 -1.242 167 HH12 ARG 21 2HH1 ARG 21 -13.232 5.374 -2.349 168 HH21 ARG 21 1HH2 ARG 21 -14.323 8.089 -0.425 169 HH22 ARG 21 2HH2 ARG 21 -14.562 7.190 -1.883 170 H LYS 22 H LYS 22 -7.408 7.738 3.584 171 HA LYS 22 HA LYS 22 -8.337 10.108 2.272 172 HB2 LYS 22 2HB LYS 22 -6.519 9.724 4.674 173 HB3 LYS 22 3HB LYS 22 -6.914 11.325 4.046 174 HG2 LYS 22 2HG LYS 22 -8.859 9.279 5.155 175 HG3 LYS 22 3HG LYS 22 -8.387 10.805 5.905 176 HD2 LYS 22 2HD LYS 22 -9.512 12.077 4.134 177 HD3 LYS 22 3HD LYS 22 -9.857 10.600 3.233 178 HE2 LYS 22 2HE LYS 22 -11.291 9.847 5.147 179 HE3 LYS 22 3HE LYS 22 -11.035 11.420 5.905 180 HZ1 LYS 22 3HZ LYS 22 -12.073 12.475 4.027 181 HZ2 LYS 22 1HZ LYS 22 -13.115 11.303 4.659 182 HZ3 LYS 22 2HZ LYS 22 -12.255 10.993 3.237 183 H ILE 23 H ILE 23 -5.249 8.378 2.200 184 HA ILE 23 HA ILE 23 -3.800 10.333 0.793 185 HB ILE 23 HB ILE 23 -3.578 7.307 0.823 186 HG12 ILE 23 2HG1 ILE 23 -1.249 7.898 1.741 187 HG13 ILE 23 3HG1 ILE 23 -1.779 9.569 1.809 188 HG21 ILE 23 1HG2 ILE 23 -2.969 7.973 -1.486 189 HG22 ILE 23 2HG2 ILE 23 -1.569 7.384 -0.595 190 HG23 ILE 23 3HG2 ILE 23 -1.786 9.114 -0.847 191 HD11 ILE 23 3HD1 ILE 23 -1.860 8.511 3.966 192 HD12 ILE 23 1HD1 ILE 23 -2.939 7.260 3.346 193 HD13 ILE 23 2HD1 ILE 23 -3.487 8.936 3.434 194 H LYS 24 H LYS 24 -5.699 7.547 -0.590 195 HA LYS 24 HA LYS 24 -5.296 8.426 -3.260 196 HB2 LYS 24 2HB LYS 24 -6.919 6.752 -3.975 197 HB3 LYS 24 3HB LYS 24 -5.722 6.096 -2.884 198 HG2 LYS 24 2HG LYS 24 -7.259 5.699 -1.176 199 HG3 LYS 24 3HG LYS 24 -8.401 6.911 -1.773 200 HD2 LYS 24 2HD LYS 24 -9.135 4.522 -2.142 201 HD3 LYS 24 3HD LYS 24 -9.069 5.499 -3.609 202 HE2 LYS 24 2HE LYS 24 -6.715 4.465 -3.984 203 HE3 LYS 24 3HE LYS 24 -7.156 3.312 -2.724 204 HZ1 LYS 24 3HZ LYS 24 -9.112 2.742 -4.084 205 HZ2 LYS 24 1HZ LYS 24 -7.645 2.409 -4.864 206 HZ3 LYS 24 2HZ LYS 24 -8.544 3.770 -5.289 207 H ASP 25 H ASP 25 -7.602 9.400 -0.916 208 HA ASP 25 HA ASP 25 -9.776 10.303 -2.400 209 HB2 ASP 25 2HB ASP 25 -9.663 10.207 0.095 210 HB3 ASP 25 3HB ASP 25 -8.548 11.568 0.102 211 H GLU 26 H GLU 26 -6.545 11.628 -2.178 212 HA GLU 26 HA GLU 26 -7.065 14.278 -3.085 213 HB2 GLU 26 2HB GLU 26 -4.493 12.653 -3.231 214 HB3 GLU 26 3HB GLU 26 -4.611 14.392 -3.463 215 HG2 GLU 26 2HG GLU 26 -5.190 12.876 -0.898 216 HG3 GLU 26 3HG GLU 26 -3.764 13.861 -1.229 217 H GLY 27 H GLY 27 -6.892 11.251 -4.766 218 HA2 GLY 27 2HA GLY 27 -8.112 11.395 -6.949 219 HA3 GLY 27 3HA GLY 27 -6.949 12.629 -7.415 220 H LEU 28 H LEU 28 -4.935 10.855 -5.840 221 HA LEU 28 HA LEU 28 -4.003 9.275 -8.102 222 HB2 LEU 28 2HB LEU 28 -1.995 8.867 -6.855 223 HB3 LEU 28 3HB LEU 28 -2.404 10.555 -6.646 224 HG LEU 28 HG LEU 28 -2.916 8.405 -4.535 225 HD11 LEU 28 1HD1 LEU 28 -0.987 9.273 -3.315 226 HD12 LEU 28 2HD1 LEU 28 -0.631 10.392 -4.635 227 HD13 LEU 28 3HD1 LEU 28 -0.503 8.651 -4.892 228 HD21 LEU 28 3HD2 LEU 28 -3.180 10.316 -2.989 229 HD22 LEU 28 1HD2 LEU 28 -4.394 10.304 -4.263 230 HD23 LEU 28 2HD2 LEU 28 -3.036 11.426 -4.356 231 H GLU 29 H GLU 29 -3.276 6.975 -7.761 232 HA GLU 29 HA GLU 29 -5.272 5.373 -6.316 233 HB2 GLU 29 2HB GLU 29 -4.903 4.919 -8.728 234 HB3 GLU 29 3HB GLU 29 -3.196 4.625 -8.434 235 HG2 GLU 29 2HG GLU 29 -4.425 2.523 -8.764 236 HG3 GLU 29 3HG GLU 29 -3.734 2.607 -7.143 237 H VAL 30 H VAL 30 -4.656 3.718 -4.857 238 HA VAL 30 HA VAL 30 -1.889 3.766 -3.789 239 HB VAL 30 HB VAL 30 -4.465 3.399 -2.181 240 HG11 VAL 30 1HG1 VAL 30 -1.568 3.341 -1.217 241 HG12 VAL 30 2HG1 VAL 30 -2.658 1.955 -1.280 242 HG13 VAL 30 3HG1 VAL 30 -2.993 3.287 -0.172 243 HG21 VAL 30 3HG2 VAL 30 -3.982 5.744 -2.826 244 HG22 VAL 30 1HG2 VAL 30 -2.393 5.615 -2.076 245 HG23 VAL 30 2HG2 VAL 30 -3.849 5.506 -1.082 246 H TYR 31 H TYR 31 -0.905 1.882 -3.642 247 HA TYR 31 HA TYR 31 -2.305 -0.641 -4.280 248 HB2 TYR 31 2HB TYR 31 0.703 -0.103 -4.339 249 HB3 TYR 31 3HB TYR 31 -0.124 -1.522 -4.961 250 HD1 TYR 31 HD2 TYR 31 -2.228 0.909 -6.208 251 HD2 TYR 31 HD1 TYR 31 1.822 -0.375 -6.659 252 HE1 TYR 31 HE2 TYR 31 -2.154 1.912 -8.431 253 HE2 TYR 31 HE1 TYR 31 1.879 0.622 -8.892 254 HH TYR 31 HH TYR 31 -0.512 2.779 -10.002 255 H ILE 32 H ILE 32 -2.410 -2.143 -2.586 256 HA ILE 32 HA ILE 32 -0.935 -1.504 -0.077 257 HB ILE 32 HB ILE 32 -3.469 -3.171 -0.380 258 HG12 ILE 32 2HG1 ILE 32 -3.914 -0.748 -0.862 259 HG13 ILE 32 3HG1 ILE 32 -4.743 -1.307 0.586 260 HG21 ILE 32 1HG2 ILE 32 -2.165 -3.872 1.566 261 HG22 ILE 32 2HG2 ILE 32 -3.619 -3.031 2.106 262 HG23 ILE 32 3HG2 ILE 32 -2.059 -2.205 2.135 263 HD11 ILE 32 3HD1 ILE 32 -2.205 0.316 0.521 264 HD12 ILE 32 1HD1 ILE 32 -3.058 -0.223 1.973 265 HD13 ILE 32 2HD1 ILE 32 -3.829 0.909 0.864 266 H LEU 33 H LEU 33 0.829 -2.834 0.179 267 HA LEU 33 HA LEU 33 0.807 -5.568 -0.840 268 HB2 LEU 33 2HB LEU 33 2.989 -3.999 0.578 269 HB3 LEU 33 3HB LEU 33 3.157 -5.658 0.008 270 HG LEU 33 HG LEU 33 2.829 -3.148 -1.664 271 HD11 LEU 33 1HD1 LEU 33 5.105 -3.614 -0.949 272 HD12 LEU 33 2HD1 LEU 33 4.934 -3.826 -2.689 273 HD13 LEU 33 3HD1 LEU 33 5.013 -5.240 -1.633 274 HD21 LEU 33 3HD2 LEU 33 2.631 -6.018 -2.641 275 HD22 LEU 33 1HD2 LEU 33 2.768 -4.589 -3.668 276 HD23 LEU 33 2HD2 LEU 33 1.349 -4.804 -2.657 277 H LEU 34 H LEU 34 -0.255 -6.936 0.318 278 HA LEU 34 HA LEU 34 -0.674 -6.559 3.177 279 HB2 LEU 34 2HB LEU 34 -2.420 -7.237 1.161 280 HB3 LEU 34 3HB LEU 34 -1.989 -8.837 1.726 281 HG LEU 34 HG LEU 34 -4.059 -8.024 2.787 282 HD11 LEU 34 1HD1 LEU 34 -3.531 -8.436 5.143 283 HD12 LEU 34 2HD1 LEU 34 -1.808 -8.248 4.805 284 HD13 LEU 34 3HD1 LEU 34 -2.711 -9.584 4.088 285 HD21 LEU 34 3HD2 LEU 34 -2.370 -5.769 3.931 286 HD22 LEU 34 1HD2 LEU 34 -4.059 -6.104 4.326 287 HD23 LEU 34 2HD2 LEU 34 -3.620 -5.613 2.693 288 H LYS 35 H LYS 35 0.473 -7.677 4.622 289 HA LYS 35 HA LYS 35 1.482 -10.370 3.975 290 HB2 LYS 35 2HB LYS 35 3.510 -9.901 5.387 291 HB3 LYS 35 3HB LYS 35 3.464 -8.997 3.881 292 HG2 LYS 35 2HG LYS 35 3.027 -6.942 4.974 293 HG3 LYS 35 3HG LYS 35 2.522 -7.738 6.465 294 HD2 LYS 35 2HD LYS 35 4.738 -6.706 6.732 295 HD3 LYS 35 3HD LYS 35 4.834 -8.460 6.900 296 HE2 LYS 35 2HE LYS 35 5.716 -8.632 4.594 297 HE3 LYS 35 3HE LYS 35 5.580 -6.879 4.413 298 HZ1 LYS 35 3HZ LYS 35 7.157 -6.643 6.270 299 HZ2 LYS 35 1HZ LYS 35 7.825 -7.476 4.955 300 HZ3 LYS 35 2HZ LYS 35 7.326 -8.328 6.324 301 H ASP 36 H ASP 36 0.561 -11.776 5.278 302 HA ASP 36 HA ASP 36 0.126 -11.189 8.129 303 HB2 ASP 36 2HB ASP 36 -2.063 -11.026 6.777 304 HB3 ASP 36 3HB ASP 36 -1.886 -12.743 6.425 305 H LYS 37 H LYS 37 0.060 -13.213 9.421 306 HA LYS 37 HA LYS 37 2.131 -15.017 8.471 307 HB2 LYS 37 2HB LYS 37 0.774 -15.077 11.192 308 HB3 LYS 37 3HB LYS 37 2.322 -15.790 10.750 309 HG2 LYS 37 2HG LYS 37 1.663 -12.845 11.094 310 HG3 LYS 37 3HG LYS 37 2.768 -13.823 12.058 311 HD2 LYS 37 2HD LYS 37 3.180 -13.004 9.147 312 HD3 LYS 37 3HD LYS 37 3.991 -12.296 10.543 313 HE2 LYS 37 2HE LYS 37 5.110 -14.450 10.999 314 HE3 LYS 37 3HE LYS 37 4.272 -15.185 9.629 315 HZ1 LYS 37 3HZ LYS 37 6.477 -14.564 8.990 316 HZ2 LYS 37 1HZ LYS 37 6.243 -12.972 9.509 317 HZ3 LYS 37 2HZ LYS 37 5.381 -13.561 8.182 318 H ASP 38 H ASP 38 -1.228 -15.018 8.358 319 HA ASP 38 HA ASP 38 -1.216 -17.876 7.568 320 HB2 ASP 38 2HB ASP 38 -2.633 -17.474 9.625 321 HB3 ASP 38 3HB ASP 38 -3.586 -16.312 8.711 322 H GLU 39 H GLU 39 -1.085 -17.807 5.443 323 HA GLU 39 HA GLU 39 -1.475 -15.753 3.693 324 HB2 GLU 39 2HB GLU 39 -1.310 -17.418 1.910 325 HB3 GLU 39 3HB GLU 39 -0.213 -17.829 3.224 326 HG2 GLU 39 2HG GLU 39 -1.910 -19.487 4.056 327 HG3 GLU 39 3HG GLU 39 -2.894 -19.133 2.637 328 H LYS 40 H LYS 40 -4.035 -17.867 4.919 329 HA LYS 40 HA LYS 40 -5.918 -17.255 2.815 330 HB2 LYS 40 2HB LYS 40 -5.974 -19.430 4.050 331 HB3 LYS 40 3HB LYS 40 -6.429 -18.583 5.518 332 HG2 LYS 40 2HG LYS 40 -8.157 -18.337 3.054 333 HG3 LYS 40 3HG LYS 40 -8.259 -19.799 4.034 334 HD2 LYS 40 2HD LYS 40 -9.009 -18.546 5.968 335 HD3 LYS 40 3HD LYS 40 -8.648 -17.004 5.193 336 HE2 LYS 40 2HE LYS 40 -11.048 -17.396 5.185 337 HE3 LYS 40 3HE LYS 40 -10.437 -17.436 3.532 338 HZ1 LYS 40 3HZ LYS 40 -12.017 -19.215 3.962 339 HZ2 LYS 40 1HZ LYS 40 -11.040 -19.819 5.206 340 HZ3 LYS 40 2HZ LYS 40 -10.489 -19.848 3.608 341 H ARG 41 H ARG 41 -5.338 -16.147 6.171 342 HA ARG 41 HA ARG 41 -7.608 -14.384 6.268 343 HB2 ARG 41 2HB ARG 41 -5.084 -14.000 7.925 344 HB3 ARG 41 3HB ARG 41 -6.732 -13.513 8.324 345 HG2 ARG 41 2HG ARG 41 -5.597 -16.314 8.274 346 HG3 ARG 41 3HG ARG 41 -6.123 -15.401 9.682 347 HD2 ARG 41 2HD ARG 41 -8.438 -15.618 9.054 348 HD3 ARG 41 3HD ARG 41 -8.011 -16.253 7.461 349 HE ARG 41 HE ARG 41 -7.043 -18.205 8.655 350 HH11 ARG 41 1HH1 ARG 41 -9.612 -16.385 10.236 351 HH12 ARG 41 2HH1 ARG 41 -10.122 -17.732 11.203 352 HH21 ARG 41 1HH2 ARG 41 -7.697 -19.930 9.937 353 HH22 ARG 41 2HH2 ARG 41 -9.029 -19.751 11.033 354 H LEU 42 H LEU 42 -4.244 -14.074 5.305 355 HA LEU 42 HA LEU 42 -4.089 -11.398 4.534 356 HB2 LEU 42 2HB LEU 42 -2.263 -13.202 4.655 357 HB3 LEU 42 3HB LEU 42 -2.847 -13.793 3.119 358 HG LEU 42 HG LEU 42 -1.658 -11.017 3.526 359 HD11 LEU 42 1HD1 LEU 42 0.045 -12.714 3.983 360 HD12 LEU 42 2HD1 LEU 42 0.393 -11.865 2.478 361 HD13 LEU 42 3HD1 LEU 42 -0.292 -13.496 2.434 362 HD21 LEU 42 3HD2 LEU 42 -1.391 -10.969 1.086 363 HD22 LEU 42 1HD2 LEU 42 -3.080 -11.075 1.575 364 HD23 LEU 42 2HD2 LEU 42 -2.251 -12.510 0.969 365 H GLU 43 H GLU 43 -5.183 -14.281 2.735 366 HA GLU 43 HA GLU 43 -5.451 -13.101 0.208 367 HB2 GLU 43 2HB GLU 43 -5.297 -15.610 0.871 368 HB3 GLU 43 3HB GLU 43 -7.028 -15.525 1.163 369 HG2 GLU 43 2HG GLU 43 -6.707 -16.440 -1.029 370 HG3 GLU 43 3HG GLU 43 -7.333 -14.801 -1.233 371 H GLU 44 H GLU 44 -7.851 -13.661 2.771 372 HA GLU 44 HA GLU 44 -10.080 -12.666 1.261 373 HB2 GLU 44 2HB GLU 44 -11.316 -12.735 3.417 374 HB3 GLU 44 3HB GLU 44 -10.531 -14.260 3.033 375 HG2 GLU 44 2HG GLU 44 -8.814 -13.887 4.669 376 HG3 GLU 44 3HG GLU 44 -9.344 -12.228 4.945 377 H LYS 45 H LYS 45 -7.807 -11.309 3.644 378 HA LYS 45 HA LYS 45 -8.971 -8.815 4.153 379 HB2 LYS 45 2HB LYS 45 -7.115 -9.606 5.488 380 HB3 LYS 45 3HB LYS 45 -6.067 -9.713 4.080 381 HG2 LYS 45 2HG LYS 45 -5.384 -7.806 5.335 382 HG3 LYS 45 3HG LYS 45 -6.165 -7.226 3.870 383 HD2 LYS 45 2HD LYS 45 -6.930 -5.809 5.607 384 HD3 LYS 45 3HD LYS 45 -8.279 -6.894 5.270 385 HE2 LYS 45 2HE LYS 45 -7.865 -8.156 7.273 386 HE3 LYS 45 3HE LYS 45 -6.293 -7.387 7.513 387 HZ1 LYS 45 3HZ LYS 45 -7.873 -6.425 8.994 388 HZ2 LYS 45 1HZ LYS 45 -8.945 -6.077 7.731 389 HZ3 LYS 45 2HZ LYS 45 -7.461 -5.269 7.827 390 H ILE 46 H ILE 46 -6.772 -9.832 1.570 391 HA ILE 46 HA ILE 46 -6.400 -7.519 0.108 392 HB ILE 46 HB ILE 46 -6.838 -10.347 -0.954 393 HG12 ILE 46 2HG1 ILE 46 -4.254 -8.807 -0.417 394 HG13 ILE 46 3HG1 ILE 46 -4.897 -10.110 0.574 395 HG21 ILE 46 1HG2 ILE 46 -5.684 -7.974 -2.476 396 HG22 ILE 46 2HG2 ILE 46 -7.241 -8.743 -2.785 397 HG23 ILE 46 3HG2 ILE 46 -5.752 -9.640 -3.058 398 HD11 ILE 46 3HD1 ILE 46 -3.853 -10.327 -2.241 399 HD12 ILE 46 1HD1 ILE 46 -4.623 -11.648 -1.351 400 HD13 ILE 46 2HD1 ILE 46 -3.118 -10.943 -0.758 401 H GLN 47 H GLN 47 -9.116 -9.828 -0.119 402 HA GLN 47 HA GLN 47 -10.537 -8.436 -2.169 403 HB2 GLN 47 2HB GLN 47 -11.469 -10.607 -0.236 404 HB3 GLN 47 3HB GLN 47 -12.388 -10.049 -1.633 405 HG2 GLN 47 2HG GLN 47 -9.680 -11.420 -1.718 406 HG3 GLN 47 3HG GLN 47 -11.233 -12.159 -2.110 407 HE21 GLN 47 1HE2 GLN 47 -8.757 -9.941 -3.198 408 HE22 GLN 47 2HE2 GLN 47 -9.320 -9.800 -4.822 409 H LYS 48 H LYS 48 -10.549 -8.196 1.360 410 HA LYS 48 HA LYS 48 -13.056 -6.860 1.696 411 HB2 LYS 48 2HB LYS 48 -10.607 -6.432 3.471 412 HB3 LYS 48 3HB LYS 48 -12.299 -6.219 3.911 413 HG2 LYS 48 2HG LYS 48 -10.891 -8.835 3.354 414 HG3 LYS 48 3HG LYS 48 -11.354 -8.217 4.934 415 HD2 LYS 48 2HD LYS 48 -13.734 -8.463 4.357 416 HD3 LYS 48 3HD LYS 48 -13.306 -8.974 2.720 417 HE2 LYS 48 2HE LYS 48 -13.888 -10.918 4.129 418 HE3 LYS 48 3HE LYS 48 -12.200 -10.990 3.625 419 HZ1 LYS 48 3HZ LYS 48 -13.217 -10.143 6.287 420 HZ2 LYS 48 1HZ LYS 48 -11.592 -10.090 5.820 421 HZ3 LYS 48 2HZ LYS 48 -12.391 -11.575 5.927 422 H LEU 49 H LEU 49 -9.715 -5.726 1.378 423 HA LEU 49 HA LEU 49 -10.279 -2.932 1.399 424 HB2 LEU 49 2HB LEU 49 -7.843 -4.539 0.583 425 HB3 LEU 49 3HB LEU 49 -7.864 -2.784 0.550 426 HG LEU 49 HG LEU 49 -8.334 -4.415 3.079 427 HD11 LEU 49 1HD1 LEU 49 -6.060 -4.835 2.266 428 HD12 LEU 49 2HD1 LEU 49 -6.043 -3.866 3.738 429 HD13 LEU 49 3HD1 LEU 49 -5.754 -3.098 2.173 430 HD21 LEU 49 3HD2 LEU 49 -7.926 -2.279 4.234 431 HD22 LEU 49 1HD2 LEU 49 -9.312 -2.171 3.151 432 HD23 LEU 49 2HD2 LEU 49 -7.767 -1.457 2.678 433 H LYS 50 H LYS 50 -9.806 -5.310 -1.243 434 HA LYS 50 HA LYS 50 -9.836 -3.383 -3.356 435 HB2 LYS 50 2HB LYS 50 -10.354 -6.382 -3.482 436 HB3 LYS 50 3HB LYS 50 -10.167 -5.331 -4.886 437 HG2 LYS 50 2HG LYS 50 -7.856 -4.741 -3.990 438 HG3 LYS 50 3HG LYS 50 -8.069 -6.030 -2.815 439 HD2 LYS 50 2HD LYS 50 -6.770 -6.902 -4.642 440 HD3 LYS 50 3HD LYS 50 -8.373 -7.639 -4.729 441 HE2 LYS 50 2HE LYS 50 -9.005 -6.021 -6.493 442 HE3 LYS 50 3HE LYS 50 -7.395 -5.297 -6.401 443 HZ1 LYS 50 3HZ LYS 50 -8.039 -8.073 -7.227 444 HZ2 LYS 50 1HZ LYS 50 -6.473 -7.460 -7.051 445 HZ3 LYS 50 2HZ LYS 50 -7.504 -6.820 -8.227 446 H SER 51 H SER 51 -12.382 -5.222 -1.695 447 HA SER 51 HA SER 51 -14.574 -4.487 -3.282 448 HB2 SER 51 2HB SER 51 -14.655 -6.176 -1.431 449 HB3 SER 51 3HB SER 51 -14.527 -4.867 -0.254 450 HG SER 51 HG SER 51 -16.610 -4.740 -0.412 451 H GLN 52 H GLN 52 -12.912 -2.773 -0.670 452 HA GLN 52 HA GLN 52 -14.588 -0.417 -0.694 453 HB2 GLN 52 2HB GLN 52 -11.775 -0.824 0.410 454 HB3 GLN 52 3HB GLN 52 -12.806 0.568 0.744 455 HG2 GLN 52 2HG GLN 52 -14.410 -0.873 1.903 456 HG3 GLN 52 3HG GLN 52 -13.447 -2.296 1.512 457 HE21 GLN 52 1HE2 GLN 52 -10.870 -1.023 2.065 458 HE22 GLN 52 2HE2 GLN 52 -10.783 -0.841 3.783 459 H GLY 53 H GLY 53 -11.900 -1.557 -2.539 460 HA2 GLY 53 2HA GLY 53 -11.263 -0.687 -4.641 461 HA3 GLY 53 3HA GLY 53 -11.771 0.922 -4.135 462 H PHE 54 H PHE 54 -9.309 -1.578 -3.707 463 HA PHE 54 HA PHE 54 -7.181 0.434 -3.560 464 HB2 PHE 54 2HB PHE 54 -7.534 -1.730 -1.407 465 HB3 PHE 54 3HB PHE 54 -6.023 -0.869 -1.670 466 HD1 PHE 54 HD2 PHE 54 -6.108 1.736 -1.468 467 HD2 PHE 54 HD1 PHE 54 -9.101 -0.861 0.158 468 HE1 PHE 54 HE2 PHE 54 -6.844 3.507 0.058 469 HE2 PHE 54 HE1 PHE 54 -9.824 0.924 1.680 470 HZ PHE 54 HZ PHE 54 -8.690 3.110 1.629 471 H GLU 55 H GLU 55 -5.339 -0.349 -4.665 472 HA GLU 55 HA GLU 55 -5.605 -2.882 -6.073 473 HB2 GLU 55 2HB GLU 55 -3.519 -0.672 -6.173 474 HB3 GLU 55 3HB GLU 55 -3.391 -2.148 -7.123 475 HG2 GLU 55 2HG GLU 55 -5.655 -0.127 -7.307 476 HG3 GLU 55 3HG GLU 55 -4.304 -0.268 -8.435 477 H VAL 56 H VAL 56 -5.580 -4.203 -4.164 478 HA VAL 56 HA VAL 56 -3.176 -4.332 -2.525 479 HB VAL 56 HB VAL 56 -5.612 -6.141 -2.287 480 HG11 VAL 56 1HG1 VAL 56 -3.518 -5.286 -0.250 481 HG12 VAL 56 2HG1 VAL 56 -3.616 -6.867 -1.026 482 HG13 VAL 56 3HG1 VAL 56 -4.890 -6.348 0.080 483 HG21 VAL 56 3HG2 VAL 56 -5.219 -3.438 -0.971 484 HG22 VAL 56 1HG2 VAL 56 -6.535 -4.567 -0.648 485 HG23 VAL 56 2HG2 VAL 56 -6.393 -3.809 -2.234 486 H ARG 57 H ARG 57 -1.626 -5.798 -2.756 487 HA ARG 57 HA ARG 57 -2.019 -8.254 -4.370 488 HB2 ARG 57 2HB ARG 57 0.454 -6.468 -4.298 489 HB3 ARG 57 3HB ARG 57 0.382 -8.039 -5.090 490 HG2 ARG 57 2HG ARG 57 -1.232 -5.582 -5.861 491 HG3 ARG 57 3HG ARG 57 0.184 -6.206 -6.708 492 HD2 ARG 57 2HD ARG 57 -1.081 -8.311 -7.186 493 HD3 ARG 57 3HD ARG 57 -2.502 -7.591 -6.414 494 HE ARG 57 HE ARG 57 -1.407 -5.961 -8.518 495 HH11 ARG 57 1HH1 ARG 57 -3.571 -8.693 -7.924 496 HH12 ARG 57 2HH1 ARG 57 -4.453 -8.452 -9.394 497 HH21 ARG 57 1HH2 ARG 57 -2.581 -5.686 -10.438 498 HH22 ARG 57 2HH2 ARG 57 -3.890 -6.753 -10.812 499 H LYS 58 H LYS 58 -0.823 -10.066 -3.693 500 HA LYS 58 HA LYS 58 -0.144 -10.153 -0.843 501 HB2 LYS 58 2HB LYS 58 -1.644 -11.884 -1.692 502 HB3 LYS 58 3HB LYS 58 -0.498 -12.324 -2.952 503 HG2 LYS 58 2HG LYS 58 1.047 -13.238 -1.301 504 HG3 LYS 58 3HG LYS 58 0.036 -12.654 0.022 505 HD2 LYS 58 2HD LYS 58 -0.266 -15.084 -0.360 506 HD3 LYS 58 3HD LYS 58 -1.765 -14.189 -0.622 507 HE2 LYS 58 2HE LYS 58 -1.440 -14.317 -3.055 508 HE3 LYS 58 3HE LYS 58 0.117 -15.112 -2.827 509 HZ1 LYS 58 3HZ LYS 58 -0.960 -16.992 -1.899 510 HZ2 LYS 58 1HZ LYS 58 -1.702 -16.626 -3.371 511 HZ3 LYS 58 2HZ LYS 58 -2.471 -16.224 -1.923 512 H VAL 59 H VAL 59 1.928 -10.102 -0.172 513 HA VAL 59 HA VAL 59 4.143 -10.740 -2.055 514 HB VAL 59 HB VAL 59 5.573 -9.209 -0.596 515 HG11 VAL 59 1HG1 VAL 59 4.781 -8.427 -2.777 516 HG12 VAL 59 2HG1 VAL 59 4.801 -7.096 -1.621 517 HG13 VAL 59 3HG1 VAL 59 3.270 -7.859 -2.060 518 HG21 VAL 59 3HG2 VAL 59 4.432 -7.518 0.817 519 HG22 VAL 59 1HG2 VAL 59 4.137 -9.152 1.417 520 HG23 VAL 59 2HG2 VAL 59 2.877 -8.300 0.518 521 H LYS 60 H LYS 60 6.181 -11.270 -0.692 522 HA LYS 60 HA LYS 60 5.610 -13.355 1.284 523 HB2 LYS 60 2HB LYS 60 8.257 -12.474 0.031 524 HB3 LYS 60 3HB LYS 60 8.051 -13.854 1.106 525 HG2 LYS 60 2HG LYS 60 6.635 -14.968 -0.562 526 HG3 LYS 60 3HG LYS 60 6.777 -13.572 -1.637 527 HD2 LYS 60 2HD LYS 60 9.212 -13.959 -1.840 528 HD3 LYS 60 3HD LYS 60 9.111 -15.314 -0.714 529 HE2 LYS 60 2HE LYS 60 7.738 -16.567 -2.304 530 HE3 LYS 60 3HE LYS 60 7.718 -15.195 -3.413 531 HZ1 LYS 60 3HZ LYS 60 9.326 -16.830 -4.104 532 HZ2 LYS 60 1HZ LYS 60 10.106 -16.760 -2.605 533 HZ3 LYS 60 2HZ LYS 60 10.123 -15.417 -3.629 534 H ASP 61 H ASP 61 8.030 -10.692 1.067 535 HA ASP 61 HA ASP 61 7.429 -9.554 3.609 536 HB2 ASP 61 2HB ASP 61 8.501 -11.860 4.192 537 HB3 ASP 61 3HB ASP 61 10.008 -11.195 3.574 538 H ASP 62 H ASP 62 10.132 -8.456 4.152 539 HA ASP 62 HA ASP 62 9.716 -6.151 2.580 540 HB2 ASP 62 2HB ASP 62 11.619 -5.170 3.718 541 HB3 ASP 62 3HB ASP 62 10.676 -6.104 4.869 542 H ASP 63 H ASP 63 11.708 -8.875 2.054 543 HA ASP 63 HA ASP 63 13.688 -7.885 0.303 544 HB2 ASP 63 2HB ASP 63 13.895 -10.077 1.376 545 HB3 ASP 63 3HB ASP 63 12.483 -10.679 0.510 546 H ASP 64 H ASP 64 10.620 -9.622 -0.488 547 HA ASP 64 HA ASP 64 11.009 -9.234 -3.335 548 HB2 ASP 64 2HB ASP 64 9.251 -10.738 -3.678 549 HB3 ASP 64 3HB ASP 64 9.792 -11.255 -2.102 550 H ILE 65 H ILE 65 9.313 -7.658 -0.746 551 HA ILE 65 HA ILE 65 7.546 -5.954 -2.098 552 HB ILE 65 HB ILE 65 9.095 -5.661 0.500 553 HG12 ILE 65 2HG1 ILE 65 6.119 -6.071 -0.032 554 HG13 ILE 65 3HG1 ILE 65 7.253 -7.349 0.383 555 HG21 ILE 65 1HG2 ILE 65 7.066 -3.651 -0.533 556 HG22 ILE 65 2HG2 ILE 65 8.788 -3.361 -0.295 557 HG23 ILE 65 3HG2 ILE 65 7.747 -3.666 1.095 558 HD11 ILE 65 3HD1 ILE 65 5.928 -6.718 2.289 559 HD12 ILE 65 1HD1 ILE 65 6.453 -5.041 2.148 560 HD13 ILE 65 2HD1 ILE 65 7.619 -6.299 2.566 561 H ASP 66 H ASP 66 10.989 -5.356 -1.205 562 HA ASP 66 HA ASP 66 11.229 -2.824 -2.378 563 HB2 ASP 66 2HB ASP 66 12.850 -3.847 -0.739 564 HB3 ASP 66 3HB ASP 66 13.475 -4.869 -2.031 565 H LYS 67 H LYS 67 11.462 -6.023 -3.832 566 HA LYS 67 HA LYS 67 12.341 -5.030 -6.430 567 HB2 LYS 67 2HB LYS 67 11.847 -7.772 -5.323 568 HB3 LYS 67 3HB LYS 67 11.563 -7.581 -7.046 569 HG2 LYS 67 2HG LYS 67 13.795 -8.310 -6.894 570 HG3 LYS 67 3HG LYS 67 13.892 -6.582 -7.215 571 HD2 LYS 67 2HD LYS 67 15.553 -7.067 -5.556 572 HD3 LYS 67 3HD LYS 67 14.245 -6.228 -4.713 573 HE2 LYS 67 2HE LYS 67 13.397 -8.381 -3.869 574 HE3 LYS 67 3HE LYS 67 14.644 -9.241 -4.775 575 HZ1 LYS 67 3HZ LYS 67 15.113 -7.324 -2.565 576 HZ2 LYS 67 1HZ LYS 67 16.313 -8.105 -3.459 577 HZ3 LYS 67 2HZ LYS 67 15.268 -9.006 -2.488 578 H TRP 68 H TRP 68 9.340 -5.620 -4.803 579 HA TRP 68 HA TRP 68 7.643 -5.857 -7.080 580 HB2 TRP 68 2HB TRP 68 7.041 -6.507 -4.666 581 HB3 TRP 68 3HB TRP 68 6.834 -4.792 -4.330 582 HD1 TRP 68 HD1 TRP 68 5.167 -7.728 -6.091 583 HE1 TRP 68 HE1 TRP 68 2.780 -7.069 -6.755 584 HE3 TRP 68 HE3 TRP 68 5.339 -2.742 -4.975 585 HZ2 TRP 68 HZ2 TRP 68 1.186 -4.749 -6.821 586 HZ3 TRP 68 HZ3 TRP 68 3.329 -1.377 -5.352 587 HH2 TRP 68 HH2 TRP 68 1.291 -2.371 -6.258 588 H ILE 69 H ILE 69 8.723 -3.130 -5.069 589 HA ILE 69 HA ILE 69 7.320 -1.135 -6.592 590 HB ILE 69 HB ILE 69 9.389 -1.007 -4.376 591 HG12 ILE 69 2HG1 ILE 69 7.474 0.370 -3.286 592 HG13 ILE 69 3HG1 ILE 69 6.474 -0.150 -4.633 593 HG21 ILE 69 1HG2 ILE 69 8.414 1.402 -5.929 594 HG22 ILE 69 2HG2 ILE 69 10.075 0.822 -5.826 595 HG23 ILE 69 3HG2 ILE 69 9.283 1.484 -4.393 596 HD11 ILE 69 3HD1 ILE 69 6.801 -2.482 -3.941 597 HD12 ILE 69 1HD1 ILE 69 6.081 -1.494 -2.671 598 HD13 ILE 69 2HD1 ILE 69 7.787 -1.925 -2.587 599 H ASP 70 H ASP 70 10.580 -2.551 -6.670 600 HA ASP 70 HA ASP 70 11.884 -0.843 -8.450 601 HB2 ASP 70 2HB ASP 70 13.132 -2.623 -7.365 602 HB3 ASP 70 3HB ASP 70 12.127 -3.861 -8.109 603 H LYS 71 H LYS 71 9.730 -3.600 -9.195 604 HA LYS 71 HA LYS 71 9.932 -3.215 -12.041 605 HB2 LYS 71 2HB LYS 71 8.295 -5.010 -12.269 606 HB3 LYS 71 3HB LYS 71 9.600 -5.470 -11.184 607 HG2 LYS 71 2HG LYS 71 8.135 -5.095 -9.235 608 HG3 LYS 71 3HG LYS 71 6.824 -4.588 -10.304 609 HD2 LYS 71 2HD LYS 71 6.586 -6.939 -9.491 610 HD3 LYS 71 3HD LYS 71 6.653 -6.823 -11.251 611 HE2 LYS 71 2HE LYS 71 7.990 -8.723 -10.318 612 HE3 LYS 71 3HE LYS 71 8.967 -7.595 -11.256 613 HZ1 LYS 71 3HZ LYS 71 8.764 -7.579 -8.294 614 HZ2 LYS 71 1HZ LYS 71 9.798 -6.635 -9.243 615 HZ3 LYS 71 2HZ LYS 71 10.010 -8.309 -9.169 616 H ILE 72 H ILE 72 7.607 -2.218 -9.523 617 HA ILE 72 HA ILE 72 5.510 -1.413 -11.256 618 HB ILE 72 HB ILE 72 6.224 -0.697 -8.405 619 HG12 ILE 72 2HG1 ILE 72 5.186 -2.899 -8.841 620 HG13 ILE 72 3HG1 ILE 72 4.123 -1.883 -7.881 621 HG21 ILE 72 1HG2 ILE 72 5.278 1.404 -9.226 622 HG22 ILE 72 2HG2 ILE 72 4.125 0.616 -8.146 623 HG23 ILE 72 3HG2 ILE 72 3.886 0.546 -9.892 624 HD11 ILE 72 3HD1 ILE 72 2.875 -3.124 -9.513 625 HD12 ILE 72 1HD1 ILE 72 3.845 -2.460 -10.826 626 HD13 ILE 72 2HD1 ILE 72 2.786 -1.404 -9.885 627 H LYS 73 H LYS 73 8.347 0.328 -10.042 628 HA LYS 73 HA LYS 73 7.777 2.836 -11.281 629 HB2 LYS 73 2HB LYS 73 10.453 1.637 -10.449 630 HB3 LYS 73 3HB LYS 73 10.197 3.324 -10.898 631 HG2 LYS 73 2HG LYS 73 8.684 3.604 -8.960 632 HG3 LYS 73 3HG LYS 73 8.949 1.919 -8.507 633 HD2 LYS 73 2HD LYS 73 11.064 4.107 -8.601 634 HD3 LYS 73 3HD LYS 73 10.327 3.444 -7.142 635 HE2 LYS 73 2HE LYS 73 11.347 1.255 -7.587 636 HE3 LYS 73 3HE LYS 73 12.011 1.846 -9.113 637 HZ1 LYS 73 3HZ LYS 73 13.350 3.424 -7.887 638 HZ2 LYS 73 1HZ LYS 73 13.665 1.848 -7.363 639 HZ3 LYS 73 2HZ LYS 73 12.713 2.878 -6.421 640 H LYS 74 H LYS 74 9.099 -0.170 -12.402 641 HA LYS 74 HA LYS 74 10.485 0.872 -14.708 642 HB2 LYS 74 2HB LYS 74 11.134 -1.121 -13.237 643 HB3 LYS 74 3HB LYS 74 9.837 -2.014 -14.015 644 HG2 LYS 74 2HG LYS 74 10.972 -1.827 -16.185 645 HG3 LYS 74 3HG LYS 74 12.228 -0.820 -15.453 646 HD2 LYS 74 2HD LYS 74 11.671 -3.759 -14.885 647 HD3 LYS 74 3HD LYS 74 13.101 -3.078 -15.662 648 HE2 LYS 74 2HE LYS 74 13.671 -1.926 -13.504 649 HE3 LYS 74 3HE LYS 74 12.282 -2.709 -12.749 650 HZ1 LYS 74 3HZ LYS 74 14.157 -3.969 -12.212 651 HZ2 LYS 74 1HZ LYS 74 14.727 -3.998 -13.808 652 HZ3 LYS 74 2HZ LYS 74 13.332 -4.857 -13.385 653 H GLU 75 H GLU 75 7.354 -0.597 -14.010 654 HA GLU 75 HA GLU 75 6.604 -0.880 -16.828 655 HB2 GLU 75 2HB GLU 75 4.831 -1.240 -14.368 656 HB3 GLU 75 3HB GLU 75 4.489 -1.794 -16.004 657 HG2 GLU 75 2HG GLU 75 6.561 -2.883 -14.082 658 HG3 GLU 75 3HG GLU 75 5.101 -3.683 -14.641 659 H ARG 76 H ARG 76 5.969 1.152 -14.038 660 HA ARG 76 HA ARG 76 4.309 3.048 -15.617 661 HB2 ARG 76 2HB ARG 76 3.907 2.333 -12.663 662 HB3 ARG 76 3HB ARG 76 2.868 3.355 -13.656 663 HG2 ARG 76 2HG ARG 76 2.122 1.444 -14.957 664 HG3 ARG 76 3HG ARG 76 3.299 0.390 -14.171 665 HD2 ARG 76 2HD ARG 76 2.102 0.808 -11.989 666 HD3 ARG 76 3HD ARG 76 0.852 1.671 -12.901 667 HE ARG 76 HE ARG 76 1.210 -0.827 -14.111 668 HH11 ARG 76 1HH1 ARG 76 -0.011 0.382 -11.065 669 HH12 ARG 76 2HH1 ARG 76 -1.081 -0.961 -10.818 670 HH21 ARG 76 1HH2 ARG 76 -0.165 -2.580 -13.767 671 HH22 ARG 76 2HH2 ARG 76 -1.166 -2.641 -12.351 672 HA PRO 77 HA PRO 77 7.985 5.136 -13.605 673 HB2 PRO 77 2HB PRO 77 9.265 6.079 -15.786 674 HB3 PRO 77 3HB PRO 77 9.270 4.343 -15.407 675 HG2 PRO 77 2HG PRO 77 7.670 5.812 -17.470 676 HG3 PRO 77 3HG PRO 77 8.422 4.202 -17.556 677 HD2 PRO 77 2HD PRO 77 5.701 4.724 -16.944 678 HD3 PRO 77 3HD PRO 77 6.546 3.180 -16.712 679 H GLN 78 H GLN 78 5.206 6.417 -14.899 680 HA GLN 78 HA GLN 78 6.174 9.155 -15.363 681 HB2 GLN 78 2HB GLN 78 3.346 8.081 -15.680 682 HB3 GLN 78 3HB GLN 78 3.965 9.611 -16.293 683 HG2 GLN 78 2HG GLN 78 4.656 6.821 -17.251 684 HG3 GLN 78 3HG GLN 78 3.794 8.078 -18.129 685 HE21 GLN 78 1HE2 GLN 78 5.707 10.214 -17.363 686 HE22 GLN 78 2HE2 GLN 78 7.131 9.907 -18.278 687 H LEU 79 H LEU 79 5.748 7.808 -12.570 688 HA LEU 79 HA LEU 79 4.581 10.119 -11.240 689 HB2 LEU 79 2HB LEU 79 3.073 8.391 -9.872 690 HB3 LEU 79 3HB LEU 79 2.514 9.121 -11.364 691 HG LEU 79 HG LEU 79 3.286 7.000 -12.577 692 HD11 LEU 79 1HD1 LEU 79 4.806 6.079 -10.935 693 HD12 LEU 79 2HD1 LEU 79 3.522 4.928 -11.296 694 HD13 LEU 79 3HD1 LEU 79 3.484 5.850 -9.790 695 HD21 LEU 79 3HD2 LEU 79 0.942 7.432 -12.201 696 HD22 LEU 79 1HD2 LEU 79 1.033 6.764 -10.573 697 HD23 LEU 79 2HD2 LEU 79 1.268 5.718 -11.971 698 H GLU 80 H GLU 80 4.804 10.004 -8.850 699 HA GLU 80 HA GLU 80 7.344 8.893 -8.018 700 HB2 GLU 80 2HB GLU 80 5.257 10.092 -6.155 701 HB3 GLU 80 3HB GLU 80 7.002 10.036 -5.932 702 HG2 GLU 80 2HG GLU 80 5.445 11.787 -7.852 703 HG3 GLU 80 3HG GLU 80 6.297 12.302 -6.403 704 H VAL 81 H VAL 81 7.595 7.300 -6.315 705 HA VAL 81 HA VAL 81 5.240 5.663 -5.583 706 HB VAL 81 HB VAL 81 7.869 4.390 -6.504 707 HG11 VAL 81 1HG1 VAL 81 5.190 3.125 -5.811 708 HG12 VAL 81 2HG1 VAL 81 6.649 3.066 -4.819 709 HG13 VAL 81 3HG1 VAL 81 6.617 2.253 -6.386 710 HG21 VAL 81 3HG2 VAL 81 5.246 4.526 -8.043 711 HG22 VAL 81 1HG2 VAL 81 6.665 3.592 -8.523 712 HG23 VAL 81 2HG2 VAL 81 6.740 5.355 -8.476 713 H ARG 82 H ARG 82 5.221 5.400 -3.424 714 HA ARG 82 HA ARG 82 7.709 5.754 -1.825 715 HB2 ARG 82 2HB ARG 82 6.108 7.644 -1.624 716 HB3 ARG 82 3HB ARG 82 4.827 6.528 -1.177 717 HG2 ARG 82 2HG ARG 82 5.594 7.657 0.801 718 HG3 ARG 82 3HG ARG 82 6.083 5.968 0.910 719 HD2 ARG 82 2HD ARG 82 7.844 7.575 1.674 720 HD3 ARG 82 3HD ARG 82 8.373 6.540 0.348 721 HE ARG 82 HE ARG 82 8.592 8.374 -0.986 722 HH11 ARG 82 1HH1 ARG 82 6.782 9.422 1.857 723 HH12 ARG 82 2HH1 ARG 82 6.885 11.097 1.429 724 HH21 ARG 82 1HH2 ARG 82 8.685 10.569 -1.514 725 HH22 ARG 82 2HH2 ARG 82 7.954 11.745 -0.468 726 H LYS 83 H LYS 83 8.220 4.070 -0.479 727 HA LYS 83 HA LYS 83 6.320 1.853 -0.087 728 HB2 LYS 83 2HB LYS 83 9.243 2.070 0.756 729 HB3 LYS 83 3HB LYS 83 8.206 0.674 1.045 730 HG2 LYS 83 2HG LYS 83 7.914 0.689 -1.567 731 HG3 LYS 83 3HG LYS 83 9.386 1.661 -1.550 732 HD2 LYS 83 2HD LYS 83 9.034 -1.158 -0.447 733 HD3 LYS 83 3HD LYS 83 9.935 -0.700 -1.891 734 HE2 LYS 83 2HE LYS 83 10.659 0.064 0.963 735 HE3 LYS 83 3HE LYS 83 11.440 -1.187 -0.004 736 HZ1 LYS 83 3HZ LYS 83 12.713 0.847 -0.012 737 HZ2 LYS 83 1HZ LYS 83 11.400 1.713 -0.633 738 HZ3 LYS 83 2HZ LYS 83 12.141 0.516 -1.568 739 H VAL 84 H VAL 84 5.062 1.880 1.612 740 HA VAL 84 HA VAL 84 5.752 3.415 4.033 741 HB VAL 84 HB VAL 84 3.084 2.528 2.853 742 HG11 VAL 84 1HG1 VAL 84 2.914 2.280 5.293 743 HG12 VAL 84 2HG1 VAL 84 1.940 3.642 4.737 744 HG13 VAL 84 3HG1 VAL 84 3.497 3.933 5.515 745 HG21 VAL 84 3HG2 VAL 84 4.121 4.520 1.805 746 HG22 VAL 84 1HG2 VAL 84 4.179 5.314 3.384 747 HG23 VAL 84 2HG2 VAL 84 2.622 4.926 2.643 748 H THR 85 H THR 85 7.093 1.826 4.890 749 HA THR 85 HA THR 85 6.076 -0.870 5.427 750 HB THR 85 HB THR 85 8.364 -1.212 6.439 751 HG1 THR 85 HG1 THR 85 8.974 0.787 7.127 752 HG21 THR 85 3HG2 THR 85 8.407 -0.018 3.637 753 HG22 THR 85 1HG2 THR 85 8.016 -1.695 4.028 754 HG23 THR 85 2HG2 THR 85 9.644 -1.076 4.321 755 H ASP 86 H ASP 86 6.234 2.180 6.944 756 HA ASP 86 HA ASP 86 5.561 1.104 9.632 757 HB2 ASP 86 2HB ASP 86 6.836 3.801 8.916 758 HB3 ASP 86 3HB ASP 86 6.434 3.267 10.548 759 H GLU 87 H GLU 87 3.778 2.006 10.686 760 HA GLU 87 HA GLU 87 1.678 3.356 9.436 761 HB2 GLU 87 2HB GLU 87 1.537 2.135 11.589 762 HB3 GLU 87 3HB GLU 87 2.516 3.375 12.363 763 HG2 GLU 87 2HG GLU 87 0.667 5.029 11.813 764 HG3 GLU 87 3HG GLU 87 -0.310 3.652 11.293 765 H ASP 88 H ASP 88 4.521 4.616 11.135 766 HA ASP 88 HA ASP 88 4.066 7.356 11.161 767 HB2 ASP 88 2HB ASP 88 5.934 6.374 12.355 768 HB3 ASP 88 3HB ASP 88 6.643 5.764 10.863 769 H GLN 89 H GLN 89 5.400 5.328 8.554 770 HA GLN 89 HA GLN 89 5.908 7.373 6.662 771 HB2 GLN 89 2HB GLN 89 5.209 4.436 6.246 772 HB3 GLN 89 3HB GLN 89 5.729 5.507 4.952 773 HG2 GLN 89 2HG GLN 89 7.430 4.891 7.386 774 HG3 GLN 89 3HG GLN 89 7.499 3.966 5.888 775 HE21 GLN 89 1HE2 GLN 89 8.359 4.944 4.018 776 HE22 GLN 89 2HE2 GLN 89 9.345 6.361 4.109 777 H ALA 90 H ALA 90 3.031 5.400 7.376 778 HA ALA 90 HA ALA 90 1.376 6.279 5.255 779 HB1 ALA 90 3HB ALA 90 -0.469 5.239 6.502 780 HB2 ALA 90 1HB ALA 90 0.553 5.130 7.938 781 HB3 ALA 90 2HB ALA 90 0.956 4.197 6.495 782 H LYS 91 H LYS 91 2.061 7.651 8.385 783 HA LYS 91 HA LYS 91 0.003 9.696 8.240 784 HB2 LYS 91 2HB LYS 91 2.314 9.285 10.166 785 HB3 LYS 91 3HB LYS 91 1.121 10.576 10.323 786 HG2 LYS 91 2HG LYS 91 -0.666 8.988 10.665 787 HG3 LYS 91 3HG LYS 91 0.395 7.627 10.280 788 HD2 LYS 91 2HD LYS 91 1.731 8.097 12.312 789 HD3 LYS 91 3HD LYS 91 0.685 9.467 12.694 790 HE2 LYS 91 2HE LYS 91 -1.203 7.991 13.061 791 HE3 LYS 91 3HE LYS 91 -0.292 6.602 12.470 792 HZ1 LYS 91 3HZ LYS 91 1.239 6.930 14.360 793 HZ2 LYS 91 1HZ LYS 91 -0.335 6.536 14.833 794 HZ3 LYS 91 2HZ LYS 91 0.216 8.131 14.960 795 H GLN 92 H GLN 92 3.480 9.490 7.516 796 HA GLN 92 HA GLN 92 3.920 12.317 7.307 797 HB2 GLN 92 2HB GLN 92 5.775 10.745 7.751 798 HB3 GLN 92 3HB GLN 92 5.541 10.008 6.171 799 HG2 GLN 92 2HG GLN 92 7.481 11.509 6.148 800 HG3 GLN 92 3HG GLN 92 6.230 12.102 5.062 801 HE21 GLN 92 1HE2 GLN 92 5.146 14.045 5.579 802 HE22 GLN 92 2HE2 GLN 92 5.706 15.119 6.808 803 H ILE 93 H ILE 93 3.290 9.752 4.925 804 HA ILE 93 HA ILE 93 3.490 11.198 2.583 805 HB ILE 93 HB ILE 93 1.970 9.527 1.508 806 HG12 ILE 93 2HG1 ILE 93 1.672 8.524 4.374 807 HG13 ILE 93 3HG1 ILE 93 0.389 9.161 3.351 808 HG21 ILE 93 1HG2 ILE 93 3.462 7.598 1.863 809 HG22 ILE 93 2HG2 ILE 93 4.122 8.356 3.313 810 HG23 ILE 93 3HG2 ILE 93 4.382 9.098 1.731 811 HD11 ILE 93 3HD1 ILE 93 0.258 6.770 3.533 812 HD12 ILE 93 1HD1 ILE 93 1.899 6.598 2.918 813 HD13 ILE 93 2HD1 ILE 93 0.625 7.235 1.875 814 H LEU 94 H LEU 94 0.733 11.116 4.795 815 HA LEU 94 HA LEU 94 -1.218 12.493 3.433 816 HB2 LEU 94 2HB LEU 94 -0.296 12.985 6.289 817 HB3 LEU 94 3HB LEU 94 -1.799 13.614 5.628 818 HG LEU 94 HG LEU 94 -1.180 10.634 5.796 819 HD11 LEU 94 1HD1 LEU 94 -2.777 12.292 7.764 820 HD12 LEU 94 2HD1 LEU 94 -1.194 11.563 8.054 821 HD13 LEU 94 3HD1 LEU 94 -2.596 10.533 7.777 822 HD21 LEU 94 3HD2 LEU 94 -3.602 10.342 5.479 823 HD22 LEU 94 1HD2 LEU 94 -2.887 11.215 4.125 824 HD23 LEU 94 2HD2 LEU 94 -3.811 12.092 5.348 825 H GLU 95 H GLU 95 1.615 13.968 5.058 826 HA GLU 95 HA GLU 95 1.079 16.680 4.177 827 HB2 GLU 95 2HB GLU 95 3.593 15.461 5.394 828 HB3 GLU 95 3HB GLU 95 3.333 17.187 5.132 829 HG2 GLU 95 2HG GLU 95 1.404 17.111 6.695 830 HG3 GLU 95 3HG GLU 95 1.731 15.401 6.997 831 H ASP 96 H ASP 96 3.003 14.012 3.105 832 HA ASP 96 HA ASP 96 4.775 15.271 1.274 833 HB2 ASP 96 2HB ASP 96 5.131 12.986 2.161 834 HB3 ASP 96 3HB ASP 96 3.710 12.420 1.298 835 H LEU 97 H LEU 97 1.474 14.118 0.996 836 HA LEU 97 HA LEU 97 1.209 14.554 -1.843 837 HB2 LEU 97 2HB LEU 97 -0.625 13.729 0.389 838 HB3 LEU 97 3HB LEU 97 -1.364 14.399 -1.050 839 HG LEU 97 HG LEU 97 -0.386 12.612 -2.437 840 HD11 LEU 97 1HD1 LEU 97 0.754 10.678 -1.516 841 HD12 LEU 97 2HD1 LEU 97 0.704 11.385 0.103 842 HD13 LEU 97 3HD1 LEU 97 1.672 12.143 -1.164 843 HD21 LEU 97 3HD2 LEU 97 -1.887 11.561 -0.036 844 HD22 LEU 97 1HD2 LEU 97 -1.749 10.771 -1.611 845 HD23 LEU 97 2HD2 LEU 97 -2.594 12.308 -1.472 846 H LYS 98 H LYS 98 0.630 16.448 1.098 847 HA LYS 98 HA LYS 98 -1.094 18.397 -0.166 848 HB2 LYS 98 2HB LYS 98 0.402 18.777 2.453 849 HB3 LYS 98 3HB LYS 98 -1.000 19.686 1.899 850 HG2 LYS 98 2HG LYS 98 -0.912 16.792 2.759 851 HG3 LYS 98 3HG LYS 98 -1.664 18.124 3.615 852 HD2 LYS 98 2HD LYS 98 -2.617 17.211 0.874 853 HD3 LYS 98 3HD LYS 98 -3.202 16.478 2.363 854 HE2 LYS 98 2HE LYS 98 -4.823 18.110 1.719 855 HE3 LYS 98 3HE LYS 98 -3.953 18.784 3.093 856 HZ1 LYS 98 3HZ LYS 98 -3.439 19.462 0.247 857 HZ2 LYS 98 1HZ LYS 98 -2.677 20.153 1.590 858 HZ3 LYS 98 2HZ LYS 98 -4.326 20.401 1.335 859 H LYS 99 H LYS 99 2.342 18.184 0.458 860 HA LYS 99 HA LYS 99 3.025 20.895 -0.059 861 HB2 LYS 99 2HB LYS 99 5.346 20.132 -0.043 862 HB3 LYS 99 3HB LYS 99 4.443 19.405 1.281 863 HG2 LYS 99 2HG LYS 99 4.250 17.296 -0.017 864 HG3 LYS 99 3HG LYS 99 5.178 18.023 -1.328 865 HD2 LYS 99 2HD LYS 99 6.180 17.469 1.493 866 HD3 LYS 99 3HD LYS 99 6.590 16.552 0.042 867 HE2 LYS 99 2HE LYS 99 7.340 19.446 0.616 868 HE3 LYS 99 3HE LYS 99 8.422 18.054 0.606 869 HZ1 LYS 99 3HZ LYS 99 7.966 17.774 -1.759 870 HZ2 LYS 99 1HZ LYS 99 8.612 19.302 -1.430 871 HZ3 LYS 99 2HZ LYS 99 6.959 19.132 -1.743 872 H LYS 100 H LYS 100 1.869 18.714 -2.309 873 HA LYS 100 HA LYS 100 3.504 19.311 -4.580 874 HB2 LYS 100 2HB LYS 100 1.818 18.220 -5.919 875 HB3 LYS 100 3HB LYS 100 1.981 17.302 -4.428 876 HG2 LYS 100 2HG LYS 100 -0.083 18.377 -3.552 877 HG3 LYS 100 3HG LYS 100 -0.246 19.277 -5.061 878 HD2 LYS 100 2HD LYS 100 -0.271 16.236 -4.871 879 HD3 LYS 100 3HD LYS 100 -1.722 17.238 -4.908 880 HE2 LYS 100 2HE LYS 100 -1.135 18.054 -7.146 881 HE3 LYS 100 3HE LYS 100 0.370 17.137 -7.112 882 HZ1 LYS 100 3HZ LYS 100 -2.373 16.001 -7.081 883 HZ2 LYS 100 1HZ LYS 100 -0.944 15.099 -6.986 884 HZ3 LYS 100 2HZ LYS 100 -1.293 15.986 -8.383 885 H GLY 101 H GLY 101 0.872 20.947 -2.973 886 HA2 GLY 101 2HA GLY 101 -0.055 22.592 -5.122 887 HA3 GLY 101 3HA GLY 101 -0.405 22.800 -3.413 888 H SER 102 H SER 102 1.819 23.575 -6.001 889 HA SER 102 HA SER 102 2.901 25.866 -4.475 890 HB2 SER 102 2HB SER 102 4.549 23.991 -4.362 891 HB3 SER 102 3HB SER 102 4.584 23.905 -6.123 892 HG SER 102 HG SER 102 6.131 25.338 -4.643 893 H LEU 103 H LEU 103 3.908 27.481 -5.866 894 HA LEU 103 HA LEU 103 2.445 28.034 -8.286 895 HB2 LEU 103 2HB LEU 103 3.339 29.725 -6.522 896 HB3 LEU 103 3HB LEU 103 4.901 29.527 -7.282 897 HG LEU 103 HG LEU 103 2.433 30.589 -8.740 898 HD11 LEU 103 1HD1 LEU 103 4.696 32.178 -7.493 899 HD12 LEU 103 2HD1 LEU 103 3.018 32.131 -6.947 900 HD13 LEU 103 3HD1 LEU 103 3.411 32.839 -8.512 901 HD21 LEU 103 3HD2 LEU 103 5.361 30.657 -9.567 902 HD22 LEU 103 1HD2 LEU 103 4.031 31.429 -10.442 903 HD23 LEU 103 2HD2 LEU 103 4.093 29.674 -10.300 904 H GLU 104 H GLU 104 5.928 27.528 -7.562 905 HA GLU 104 HA GLU 104 6.557 27.263 -10.385 906 HB2 GLU 104 2HB GLU 104 8.028 28.566 -8.905 907 HB3 GLU 104 3HB GLU 104 8.329 27.143 -7.918 908 HG2 GLU 104 2HG GLU 104 10.211 27.701 -9.458 909 HG3 GLU 104 3HG GLU 104 9.568 26.076 -9.696 910 H HIS 105 H HIS 105 6.810 25.442 -11.459 911 HA HIS 105 HA HIS 105 7.574 22.914 -10.185 912 HB2 HIS 105 2HB HIS 105 5.059 23.270 -11.879 913 HB3 HIS 105 3HB HIS 105 5.828 21.701 -11.665 914 HD1 HIS 105 HD1 HIS 105 3.433 23.978 -10.096 915 HD2 HIS 105 HD2 HIS 105 5.823 20.800 -8.890 916 HE1 HIS 105 HE1 HIS 105 2.476 23.197 -7.915 917 HE2 HIS 105 HE2 HIS 105 3.998 21.348 -7.153 918 H HIS 106 H HIS 106 9.571 23.204 -11.148 919 HA HIS 106 HA HIS 106 10.072 23.727 -13.890 920 HB2 HIS 106 2HB HIS 106 11.808 22.382 -11.774 921 HB3 HIS 106 3HB HIS 106 12.381 22.757 -13.394 922 HD1 HIS 106 HD1 HIS 106 12.877 25.210 -13.950 923 HD2 HIS 106 HD2 HIS 106 11.539 24.586 -10.070 924 HE1 HIS 106 HE1 HIS 106 13.314 27.359 -12.733 925 HE2 HIS 106 HE2 HIS 106 12.600 26.912 -10.358 926 H HIS 107 H HIS 107 9.297 22.480 -15.436 927 HA HIS 107 HA HIS 107 8.780 19.656 -15.166 928 HB2 HIS 107 2HB HIS 107 8.522 21.546 -17.546 929 HB3 HIS 107 3HB HIS 107 7.993 19.863 -17.554 930 HD1 HIS 107 HD1 HIS 107 6.707 23.158 -16.960 931 HD2 HIS 107 HD2 HIS 107 6.045 19.400 -15.348 932 HE1 HIS 107 HE1 HIS 107 4.518 23.320 -15.744 933 HE2 HIS 107 HE2 HIS 107 4.066 20.983 -14.933 934 H HIS 108 H HIS 108 10.801 18.794 -14.764 935 HA HIS 108 HA HIS 108 13.025 18.951 -16.581 936 HB2 HIS 108 2HB HIS 108 12.467 16.949 -14.341 937 HB3 HIS 108 3HB HIS 108 14.016 17.180 -15.148 938 HD1 HIS 108 HD1 HIS 108 12.317 18.101 -12.157 939 HD2 HIS 108 HD2 HIS 108 14.951 20.032 -14.728 940 HE1 HIS 108 HE1 HIS 108 13.251 20.028 -10.846 941 HE2 HIS 108 HE2 HIS 108 14.968 21.063 -12.368 942 H HIS 109 H HIS 109 12.189 18.373 -18.607 943 HA HIS 109 HA HIS 109 11.573 15.495 -18.995 944 HB2 HIS 109 2HB HIS 109 9.968 16.053 -20.768 945 HB3 HIS 109 3HB HIS 109 9.480 16.834 -19.269 946 HD1 HIS 109 HD1 HIS 109 10.935 17.618 -22.666 947 HD2 HIS 109 HD2 HIS 109 9.349 19.623 -19.391 948 HE1 HIS 109 HE1 HIS 109 10.588 19.983 -23.425 949 HE2 HIS 109 HE2 HIS 109 9.825 21.209 -21.365 950 H HIS 110 H HIS 110 12.408 14.567 -20.880 951 HA HIS 110 HA HIS 110 14.543 16.035 -22.281 952 HB2 HIS 110 2HB HIS 110 13.763 13.080 -22.345 953 HB3 HIS 110 3HB HIS 110 15.108 13.781 -23.237 954 HD1 HIS 110 HD1 HIS 110 14.625 11.860 -20.366 955 HD2 HIS 110 HD2 HIS 110 16.843 15.291 -21.115 956 HE1 HIS 110 HE1 HIS 110 16.396 11.921 -18.594 957 HE2 HIS 110 HE2 HIS 110 17.643 14.070 -18.988 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.439 16.871 -13.501 2 H2 MET 1 2H MET 1 -1.998 17.719 -13.264 3 H3 MET 1 3H MET 1 -2.640 16.783 -12.013 4 HA MET 1 HA MET 1 -2.281 14.777 -13.220 5 HB2 MET 1 2HB MET 1 -1.168 14.746 -15.397 6 HB3 MET 1 3HB MET 1 -2.611 15.739 -15.497 7 HG2 MET 1 2HG MET 1 -1.183 17.771 -15.318 8 HG3 MET 1 3HG MET 1 0.241 16.730 -15.315 9 HE1 MET 1 3HE MET 1 -2.769 18.147 -17.418 10 HE2 MET 1 1HE MET 1 -3.129 16.418 -17.453 11 HE3 MET 1 2HE MET 1 -2.615 17.246 -18.923 12 H GLY 2 H GLY 2 0.177 13.985 -13.900 13 HA2 GLY 2 2HA GLY 2 2.275 13.617 -12.993 14 HA3 GLY 2 3HA GLY 2 2.221 15.226 -12.274 15 H SER 3 H SER 3 -0.148 12.675 -11.923 16 HA SER 3 HA SER 3 -0.155 12.815 -9.056 17 HB2 SER 3 2HB SER 3 -1.629 10.889 -10.918 18 HB3 SER 3 3HB SER 3 -2.027 11.237 -9.230 19 HG SER 3 HG SER 3 -2.237 13.495 -10.003 20 H LYS 4 H LYS 4 0.908 11.476 -7.679 21 HA LYS 4 HA LYS 4 2.675 9.390 -8.732 22 HB2 LYS 4 2HB LYS 4 3.720 9.399 -6.552 23 HB3 LYS 4 3HB LYS 4 3.530 11.061 -7.087 24 HG2 LYS 4 2HG LYS 4 1.564 11.310 -5.586 25 HG3 LYS 4 3HG LYS 4 1.793 9.643 -5.042 26 HD2 LYS 4 2HD LYS 4 2.788 11.211 -3.421 27 HD3 LYS 4 3HD LYS 4 4.036 10.225 -4.169 28 HE2 LYS 4 2HE LYS 4 4.607 12.098 -5.677 29 HE3 LYS 4 3HE LYS 4 3.353 13.086 -4.929 30 HZ1 LYS 4 3HZ LYS 4 5.619 13.516 -4.083 31 HZ2 LYS 4 1HZ LYS 4 5.679 11.949 -3.467 32 HZ3 LYS 4 2HZ LYS 4 4.543 13.047 -2.866 33 H ILE 5 H ILE 5 2.789 7.347 -7.315 34 HA ILE 5 HA ILE 5 0.160 6.603 -6.201 35 HB ILE 5 HB ILE 5 0.534 4.262 -6.884 36 HG12 ILE 5 2HG1 ILE 5 2.984 5.314 -8.385 37 HG13 ILE 5 3HG1 ILE 5 3.013 4.255 -6.979 38 HG21 ILE 5 1HG2 ILE 5 0.620 6.219 -9.210 39 HG22 ILE 5 2HG2 ILE 5 -0.822 5.691 -8.335 40 HG23 ILE 5 3HG2 ILE 5 0.086 4.533 -9.311 41 HD11 ILE 5 3HD1 ILE 5 3.430 3.029 -9.013 42 HD12 ILE 5 1HD1 ILE 5 1.886 3.550 -9.686 43 HD13 ILE 5 2HD1 ILE 5 1.925 2.497 -8.267 44 H ILE 6 H ILE 6 0.197 5.399 -4.388 45 HA ILE 6 HA ILE 6 2.726 5.334 -2.852 46 HB ILE 6 HB ILE 6 -0.138 5.758 -1.894 47 HG12 ILE 6 2HG1 ILE 6 0.833 7.797 -2.922 48 HG13 ILE 6 3HG1 ILE 6 0.579 8.012 -1.198 49 HG21 ILE 6 1HG2 ILE 6 2.382 5.611 -0.216 50 HG22 ILE 6 2HG2 ILE 6 1.103 4.397 -0.275 51 HG23 ILE 6 3HG2 ILE 6 0.764 6.001 0.374 52 HD11 ILE 6 3HD1 ILE 6 2.635 9.034 -1.906 53 HD12 ILE 6 1HD1 ILE 6 3.214 7.506 -2.565 54 HD13 ILE 6 2HD1 ILE 6 2.986 7.688 -0.822 55 H VAL 7 H VAL 7 3.157 3.419 -1.819 56 HA VAL 7 HA VAL 7 1.293 1.157 -2.182 57 HB VAL 7 HB VAL 7 4.338 0.952 -2.341 58 HG11 VAL 7 1HG1 VAL 7 3.898 -1.419 -2.967 59 HG12 VAL 7 2HG1 VAL 7 2.178 -1.166 -2.661 60 HG13 VAL 7 3HG1 VAL 7 3.339 -1.044 -1.336 61 HG21 VAL 7 3HG2 VAL 7 2.288 0.653 -4.575 62 HG22 VAL 7 1HG2 VAL 7 4.025 0.371 -4.727 63 HG23 VAL 7 2HG2 VAL 7 3.419 1.995 -4.390 64 H ILE 8 H ILE 8 0.615 0.445 -0.253 65 HA ILE 8 HA ILE 8 2.189 1.143 2.163 66 HB ILE 8 HB ILE 8 -0.837 0.737 1.947 67 HG12 ILE 8 2HG1 ILE 8 0.815 3.271 2.376 68 HG13 ILE 8 3HG1 ILE 8 -0.117 2.876 0.939 69 HG21 ILE 8 1HG2 ILE 8 0.838 1.525 4.361 70 HG22 ILE 8 2HG2 ILE 8 0.037 -0.029 4.129 71 HG23 ILE 8 3HG2 ILE 8 -0.925 1.437 4.319 72 HD11 ILE 8 3HD1 ILE 8 -1.251 4.529 2.260 73 HD12 ILE 8 1HD1 ILE 8 -1.228 3.481 3.679 74 HD13 ILE 8 2HD1 ILE 8 -2.179 3.033 2.259 75 H ILE 9 H ILE 9 2.778 -0.445 3.462 76 HA ILE 9 HA ILE 9 2.346 -3.239 2.636 77 HB ILE 9 HB ILE 9 4.535 -2.024 4.414 78 HG12 ILE 9 2HG1 ILE 9 6.086 -2.947 2.570 79 HG13 ILE 9 3HG1 ILE 9 4.650 -3.197 1.595 80 HG21 ILE 9 1HG2 ILE 9 4.153 -4.940 3.616 81 HG22 ILE 9 2HG2 ILE 9 3.918 -4.272 5.232 82 HG23 ILE 9 3HG2 ILE 9 5.529 -4.294 4.516 83 HD11 ILE 9 3HD1 ILE 9 4.249 -0.791 1.559 84 HD12 ILE 9 1HD1 ILE 9 5.860 -1.184 0.960 85 HD13 ILE 9 2HD1 ILE 9 5.660 -0.532 2.587 86 H SER 10 H SER 10 0.434 -3.778 3.646 87 HA SER 10 HA SER 10 -0.046 -2.891 6.432 88 HB2 SER 10 2HB SER 10 -2.036 -3.794 4.310 89 HB3 SER 10 3HB SER 10 -2.443 -3.190 5.918 90 HG SER 10 HG SER 10 -0.877 -1.644 4.158 91 H SER 11 H SER 11 -0.223 -4.302 7.980 92 HA SER 11 HA SER 11 -1.085 -7.085 7.482 93 HB2 SER 11 2HB SER 11 0.589 -7.827 9.300 94 HB3 SER 11 3HB SER 11 1.269 -7.399 7.731 95 HG SER 11 HG SER 11 1.064 -5.458 9.766 96 H ASP 12 H ASP 12 -3.125 -6.619 8.243 97 HA ASP 12 HA ASP 12 -4.788 -6.881 9.724 98 HB2 ASP 12 2HB ASP 12 -3.257 -8.260 11.119 99 HB3 ASP 12 3HB ASP 12 -2.724 -6.807 11.952 100 H ASP 13 H ASP 13 -2.472 -4.437 10.881 101 HA ASP 13 HA ASP 13 -4.102 -2.915 12.526 102 HB2 ASP 13 2HB ASP 13 -1.780 -1.948 10.807 103 HB3 ASP 13 3HB ASP 13 -2.465 -1.063 12.171 104 H THR 14 H THR 14 -5.878 -1.792 12.165 105 HA THR 14 HA THR 14 -6.901 -1.422 9.530 106 HB THR 14 HB THR 14 -8.242 -2.140 11.561 107 HG1 THR 14 HG1 THR 14 -9.221 -1.506 9.585 108 HG21 THR 14 3HG2 THR 14 -7.535 -0.382 13.161 109 HG22 THR 14 1HG2 THR 14 -9.293 -0.403 12.953 110 HG23 THR 14 2HG2 THR 14 -8.324 0.840 12.162 111 H THR 15 H THR 15 -5.224 0.678 11.732 112 HA THR 15 HA THR 15 -5.924 3.199 10.840 113 HB THR 15 HB THR 15 -3.075 2.383 11.584 114 HG1 THR 15 HG1 THR 15 -5.336 2.825 13.267 115 HG21 THR 15 3HG2 THR 15 -4.659 4.928 12.136 116 HG22 THR 15 1HG2 THR 15 -3.403 4.761 10.902 117 HG23 THR 15 2HG2 THR 15 -2.986 4.624 12.609 118 H LEU 16 H LEU 16 -3.728 0.839 9.335 119 HA LEU 16 HA LEU 16 -2.695 2.707 7.362 120 HB2 LEU 16 2HB LEU 16 -2.369 -0.319 7.558 121 HB3 LEU 16 3HB LEU 16 -1.642 0.667 6.299 122 HG LEU 16 HG LEU 16 -0.441 1.961 8.197 123 HD11 LEU 16 1HD1 LEU 16 -1.242 -0.463 9.819 124 HD12 LEU 16 2HD1 LEU 16 -1.803 1.192 10.069 125 HD13 LEU 16 3HD1 LEU 16 -0.102 0.797 10.312 126 HD21 LEU 16 3HD2 LEU 16 0.323 -0.936 7.737 127 HD22 LEU 16 1HD2 LEU 16 1.389 0.337 8.342 128 HD23 LEU 16 2HD2 LEU 16 0.746 0.430 6.704 129 H GLU 17 H GLU 17 -5.374 0.532 7.630 130 HA GLU 17 HA GLU 17 -6.029 0.228 4.855 131 HB2 GLU 17 2HB GLU 17 -7.830 -0.071 7.299 132 HB3 GLU 17 3HB GLU 17 -8.185 -0.657 5.676 133 HG2 GLU 17 2HG GLU 17 -6.203 -2.179 5.845 134 HG3 GLU 17 3HG GLU 17 -5.988 -1.645 7.514 135 H GLU 18 H GLU 18 -7.263 2.325 7.480 136 HA GLU 18 HA GLU 18 -9.138 3.704 5.823 137 HB2 GLU 18 2HB GLU 18 -9.462 5.235 7.706 138 HB3 GLU 18 3HB GLU 18 -9.520 3.557 8.230 139 HG2 GLU 18 2HG GLU 18 -7.329 3.714 9.235 140 HG3 GLU 18 3HG GLU 18 -7.066 5.315 8.542 141 H LEU 19 H LEU 19 -5.824 4.406 6.916 142 HA LEU 19 HA LEU 19 -5.635 7.019 5.846 143 HB2 LEU 19 2HB LEU 19 -3.498 4.978 6.570 144 HB3 LEU 19 3HB LEU 19 -3.080 6.551 5.908 145 HG LEU 19 HG LEU 19 -4.622 6.122 8.506 146 HD11 LEU 19 1HD1 LEU 19 -2.301 5.380 8.738 147 HD12 LEU 19 2HD1 LEU 19 -2.594 6.845 9.671 148 HD13 LEU 19 3HD1 LEU 19 -1.723 6.936 8.137 149 HD21 LEU 19 3HD2 LEU 19 -4.280 8.527 8.885 150 HD22 LEU 19 1HD2 LEU 19 -5.237 8.231 7.436 151 HD23 LEU 19 2HD2 LEU 19 -3.537 8.685 7.291 152 H ALA 20 H ALA 20 -5.066 3.823 4.419 153 HA ALA 20 HA ALA 20 -3.940 4.484 1.962 154 HB1 ALA 20 3HB ALA 20 -6.001 2.309 2.512 155 HB2 ALA 20 1HB ALA 20 -4.258 2.164 2.751 156 HB3 ALA 20 2HB ALA 20 -4.910 2.375 1.125 157 H ARG 21 H ARG 21 -7.342 4.571 2.956 158 HA ARG 21 HA ARG 21 -8.440 5.331 0.438 159 HB2 ARG 21 2HB ARG 21 -9.731 4.226 2.305 160 HB3 ARG 21 3HB ARG 21 -9.635 5.726 3.217 161 HG2 ARG 21 2HG ARG 21 -11.823 5.559 2.173 162 HG3 ARG 21 3HG ARG 21 -10.922 6.875 1.414 163 HD2 ARG 21 2HD ARG 21 -10.365 5.383 -0.489 164 HD3 ARG 21 3HD ARG 21 -11.281 4.075 0.264 165 HE ARG 21 HE ARG 21 -12.487 6.628 -0.644 166 HH11 ARG 21 1HH1 ARG 21 -12.685 3.124 -0.339 167 HH12 ARG 21 2HH1 ARG 21 -14.248 3.039 -1.090 168 HH21 ARG 21 1HH2 ARG 21 -14.501 6.504 -1.626 169 HH22 ARG 21 2HH2 ARG 21 -15.280 4.962 -1.823 170 H LYS 22 H LYS 22 -7.123 7.116 3.185 171 HA LYS 22 HA LYS 22 -8.151 9.678 2.492 172 HB2 LYS 22 2HB LYS 22 -7.437 8.914 4.820 173 HB3 LYS 22 3HB LYS 22 -5.765 9.078 4.290 174 HG2 LYS 22 2HG LYS 22 -6.435 11.059 5.532 175 HG3 LYS 22 3HG LYS 22 -6.162 11.487 3.839 176 HD2 LYS 22 2HD LYS 22 -8.650 11.317 3.457 177 HD3 LYS 22 3HD LYS 22 -8.861 11.047 5.188 178 HE2 LYS 22 2HE LYS 22 -7.665 13.524 3.913 179 HE3 LYS 22 3HE LYS 22 -9.301 13.381 4.552 180 HZ1 LYS 22 3HZ LYS 22 -8.403 13.034 6.745 181 HZ2 LYS 22 1HZ LYS 22 -7.785 14.472 6.104 182 HZ3 LYS 22 2HZ LYS 22 -6.822 13.084 6.158 183 H ILE 23 H ILE 23 -5.051 8.021 1.922 184 HA ILE 23 HA ILE 23 -3.750 10.183 0.627 185 HB ILE 23 HB ILE 23 -3.198 7.205 0.737 186 HG12 ILE 23 2HG1 ILE 23 -0.918 8.109 1.586 187 HG13 ILE 23 3HG1 ILE 23 -1.686 9.684 1.661 188 HG21 ILE 23 1HG2 ILE 23 -1.201 7.472 -0.673 189 HG22 ILE 23 2HG2 ILE 23 -1.658 9.140 -1.019 190 HG23 ILE 23 3HG2 ILE 23 -2.671 7.812 -1.584 191 HD11 ILE 23 3HD1 ILE 23 -1.568 8.614 3.823 192 HD12 ILE 23 1HD1 ILE 23 -2.485 7.237 3.214 193 HD13 ILE 23 2HD1 ILE 23 -3.247 8.826 3.323 194 H LYS 24 H LYS 24 -5.772 7.461 -0.655 195 HA LYS 24 HA LYS 24 -5.422 8.353 -3.364 196 HB2 LYS 24 2HB LYS 24 -7.027 6.746 -4.080 197 HB3 LYS 24 3HB LYS 24 -5.942 6.003 -2.923 198 HG2 LYS 24 2HG LYS 24 -7.599 5.682 -1.337 199 HG3 LYS 24 3HG LYS 24 -8.579 7.033 -1.919 200 HD2 LYS 24 2HD LYS 24 -9.585 4.779 -2.405 201 HD3 LYS 24 3HD LYS 24 -9.317 5.757 -3.848 202 HE2 LYS 24 2HE LYS 24 -7.121 4.449 -4.139 203 HE3 LYS 24 3HE LYS 24 -7.727 3.358 -2.893 204 HZ1 LYS 24 3HZ LYS 24 -9.018 3.943 -5.504 205 HZ2 LYS 24 1HZ LYS 24 -9.684 2.962 -4.297 206 HZ3 LYS 24 2HZ LYS 24 -8.248 2.508 -5.058 207 H ASP 25 H ASP 25 -7.488 9.312 -0.819 208 HA ASP 25 HA ASP 25 -9.588 10.568 -2.239 209 HB2 ASP 25 2HB ASP 25 -9.672 10.093 0.186 210 HB3 ASP 25 3HB ASP 25 -8.395 11.262 0.481 211 H GLU 26 H GLU 26 -6.257 11.437 -1.807 212 HA GLU 26 HA GLU 26 -6.383 14.221 -2.419 213 HB2 GLU 26 2HB GLU 26 -4.126 12.223 -2.858 214 HB3 GLU 26 3HB GLU 26 -3.953 13.973 -2.886 215 HG2 GLU 26 2HG GLU 26 -4.796 12.360 -0.463 216 HG3 GLU 26 3HG GLU 26 -3.170 12.919 -0.774 217 H GLY 27 H GLY 27 -6.846 11.415 -4.338 218 HA2 GLY 27 2HA GLY 27 -7.861 11.577 -6.485 219 HA3 GLY 27 3HA GLY 27 -6.971 13.058 -6.799 220 H LEU 28 H LEU 28 -5.250 10.415 -5.375 221 HA LEU 28 HA LEU 28 -4.150 9.585 -7.995 222 HB2 LEU 28 2HB LEU 28 -1.941 9.362 -6.922 223 HB3 LEU 28 3HB LEU 28 -2.522 11.010 -6.985 224 HG LEU 28 HG LEU 28 -3.300 10.432 -4.453 225 HD11 LEU 28 1HD1 LEU 28 -0.895 8.619 -4.829 226 HD12 LEU 28 2HD1 LEU 28 -2.541 8.110 -4.447 227 HD13 LEU 28 3HD1 LEU 28 -1.624 9.062 -3.283 228 HD21 LEU 28 3HD2 LEU 28 -1.893 12.306 -5.069 229 HD22 LEU 28 1HD2 LEU 28 -0.493 11.243 -5.249 230 HD23 LEU 28 2HD2 LEU 28 -1.226 11.486 -3.663 231 H GLU 29 H GLU 29 -2.906 7.379 -7.702 232 HA GLU 29 HA GLU 29 -4.917 5.611 -6.517 233 HB2 GLU 29 2HB GLU 29 -4.239 5.435 -8.925 234 HB3 GLU 29 3HB GLU 29 -2.636 4.926 -8.405 235 HG2 GLU 29 2HG GLU 29 -3.967 3.003 -9.055 236 HG3 GLU 29 3HG GLU 29 -3.611 2.942 -7.328 237 H VAL 30 H VAL 30 -4.449 3.866 -5.141 238 HA VAL 30 HA VAL 30 -1.768 3.763 -3.872 239 HB VAL 30 HB VAL 30 -4.411 3.329 -2.383 240 HG11 VAL 30 1HG1 VAL 30 -1.561 3.493 -1.321 241 HG12 VAL 30 2HG1 VAL 30 -2.523 2.020 -1.456 242 HG13 VAL 30 3HG1 VAL 30 -3.020 3.298 -0.344 243 HG21 VAL 30 3HG2 VAL 30 -3.967 5.457 -1.231 244 HG22 VAL 30 1HG2 VAL 30 -4.134 5.707 -2.972 245 HG23 VAL 30 2HG2 VAL 30 -2.532 5.709 -2.230 246 H TYR 31 H TYR 31 -0.921 1.816 -3.704 247 HA TYR 31 HA TYR 31 -2.420 -0.636 -4.430 248 HB2 TYR 31 2HB TYR 31 0.558 0.016 -4.748 249 HB3 TYR 31 3HB TYR 31 -0.167 -1.554 -5.086 250 HD1 TYR 31 HD2 TYR 31 -0.126 2.020 -6.199 251 HD2 TYR 31 HD1 TYR 31 -1.226 -1.990 -7.195 252 HE1 TYR 31 HE2 TYR 31 -0.615 2.728 -8.500 253 HE2 TYR 31 HE1 TYR 31 -1.710 -1.275 -9.500 254 HH TYR 31 HH TYR 31 -2.306 0.777 -10.716 255 H ILE 32 H ILE 32 -2.393 -2.252 -2.865 256 HA ILE 32 HA ILE 32 -0.903 -1.664 -0.360 257 HB ILE 32 HB ILE 32 -3.502 -3.257 -0.579 258 HG12 ILE 32 2HG1 ILE 32 -3.904 -0.857 -1.209 259 HG13 ILE 32 3HG1 ILE 32 -4.718 -1.305 0.286 260 HG21 ILE 32 1HG2 ILE 32 -3.608 -2.961 1.875 261 HG22 ILE 32 2HG2 ILE 32 -2.062 -2.110 1.845 262 HG23 ILE 32 3HG2 ILE 32 -2.141 -3.812 1.389 263 HD11 ILE 32 3HD1 ILE 32 -3.733 0.907 0.397 264 HD12 ILE 32 1HD1 ILE 32 -2.134 0.235 0.090 265 HD13 ILE 32 2HD1 ILE 32 -2.997 -0.174 1.579 266 H LEU 33 H LEU 33 0.658 -3.126 0.123 267 HA LEU 33 HA LEU 33 0.557 -5.826 -1.079 268 HB2 LEU 33 2HB LEU 33 2.937 -4.290 0.052 269 HB3 LEU 33 3HB LEU 33 3.000 -5.939 -0.553 270 HG LEU 33 HG LEU 33 2.489 -3.412 -2.152 271 HD11 LEU 33 1HD1 LEU 33 4.674 -5.493 -2.384 272 HD12 LEU 33 2HD1 LEU 33 4.834 -3.877 -1.690 273 HD13 LEU 33 3HD1 LEU 33 4.476 -4.063 -3.404 274 HD21 LEU 33 3HD2 LEU 33 2.236 -6.264 -3.150 275 HD22 LEU 33 1HD2 LEU 33 2.224 -4.812 -4.157 276 HD23 LEU 33 2HD2 LEU 33 0.933 -5.082 -2.991 277 H LEU 34 H LEU 34 -0.203 -7.278 0.194 278 HA LEU 34 HA LEU 34 -0.244 -6.935 3.100 279 HB2 LEU 34 2HB LEU 34 -2.122 -7.964 1.102 280 HB3 LEU 34 3HB LEU 34 -1.824 -9.201 2.299 281 HG LEU 34 HG LEU 34 -3.835 -7.796 2.791 282 HD11 LEU 34 1HD1 LEU 34 -1.626 -7.650 4.867 283 HD12 LEU 34 2HD1 LEU 34 -2.822 -8.930 4.664 284 HD13 LEU 34 3HD1 LEU 34 -3.334 -7.332 5.189 285 HD21 LEU 34 3HD2 LEU 34 -1.846 -5.552 3.225 286 HD22 LEU 34 1HD2 LEU 34 -3.580 -5.494 3.563 287 HD23 LEU 34 2HD2 LEU 34 -3.011 -5.666 1.904 288 H LYS 35 H LYS 35 1.057 -8.124 4.364 289 HA LYS 35 HA LYS 35 1.807 -10.854 3.587 290 HB2 LYS 35 2HB LYS 35 4.157 -10.517 4.328 291 HB3 LYS 35 3HB LYS 35 3.757 -9.515 2.940 292 HG2 LYS 35 2HG LYS 35 3.469 -7.567 4.463 293 HG3 LYS 35 3HG LYS 35 3.977 -8.570 5.821 294 HD2 LYS 35 2HD LYS 35 5.628 -7.755 3.408 295 HD3 LYS 35 3HD LYS 35 5.846 -7.232 5.076 296 HE2 LYS 35 2HE LYS 35 6.290 -10.037 4.000 297 HE3 LYS 35 3HE LYS 35 7.535 -8.886 4.475 298 HZ1 LYS 35 3HZ LYS 35 6.789 -9.021 6.739 299 HZ2 LYS 35 1HZ LYS 35 7.111 -10.577 6.167 300 HZ3 LYS 35 2HZ LYS 35 5.515 -10.043 6.313 301 H ASP 36 H ASP 36 1.212 -12.163 5.155 302 HA ASP 36 HA ASP 36 1.288 -11.348 7.999 303 HB2 ASP 36 2HB ASP 36 -1.074 -11.228 6.903 304 HB3 ASP 36 3HB ASP 36 -0.996 -12.977 6.783 305 H LYS 37 H LYS 37 1.056 -13.408 9.396 306 HA LYS 37 HA LYS 37 2.988 -15.374 8.576 307 HB2 LYS 37 2HB LYS 37 2.825 -14.607 10.925 308 HB3 LYS 37 3HB LYS 37 1.196 -15.260 11.047 309 HG2 LYS 37 2HG LYS 37 2.853 -16.711 12.159 310 HG3 LYS 37 3HG LYS 37 2.044 -17.538 10.829 311 HD2 LYS 37 2HD LYS 37 4.050 -17.090 9.389 312 HD3 LYS 37 3HD LYS 37 4.860 -16.365 10.782 313 HE2 LYS 37 2HE LYS 37 4.799 -18.501 11.968 314 HE3 LYS 37 3HE LYS 37 3.853 -19.225 10.662 315 HZ1 LYS 37 3HZ LYS 37 5.706 -18.922 9.170 316 HZ2 LYS 37 1HZ LYS 37 6.194 -19.814 10.518 317 HZ3 LYS 37 2HZ LYS 37 6.623 -18.183 10.384 318 H ASP 38 H ASP 38 -0.506 -15.207 8.543 319 HA ASP 38 HA ASP 38 -0.717 -18.038 7.675 320 HB2 ASP 38 2HB ASP 38 -1.773 -17.594 9.938 321 HB3 ASP 38 3HB ASP 38 -2.857 -16.437 9.167 322 H GLU 39 H GLU 39 -0.861 -17.871 5.535 323 HA GLU 39 HA GLU 39 -1.629 -15.710 4.017 324 HB2 GLU 39 2HB GLU 39 -1.586 -17.190 2.062 325 HB3 GLU 39 3HB GLU 39 -0.219 -17.470 3.134 326 HG2 GLU 39 2HG GLU 39 -1.342 -19.486 4.039 327 HG3 GLU 39 3HG GLU 39 -2.697 -19.209 2.937 328 H LYS 40 H LYS 40 -3.851 -17.934 5.503 329 HA LYS 40 HA LYS 40 -5.981 -17.518 3.600 330 HB2 LYS 40 2HB LYS 40 -6.058 -18.640 6.430 331 HB3 LYS 40 3HB LYS 40 -7.471 -18.536 5.374 332 HG2 LYS 40 2HG LYS 40 -6.300 -19.943 3.700 333 HG3 LYS 40 3HG LYS 40 -4.938 -20.106 4.812 334 HD2 LYS 40 2HD LYS 40 -6.416 -21.217 6.453 335 HD3 LYS 40 3HD LYS 40 -7.785 -21.037 5.349 336 HE2 LYS 40 2HE LYS 40 -5.275 -22.667 4.826 337 HE3 LYS 40 3HE LYS 40 -6.862 -23.309 5.253 338 HZ1 LYS 40 3HZ LYS 40 -7.719 -22.294 3.181 339 HZ2 LYS 40 1HZ LYS 40 -6.555 -23.491 2.909 340 HZ3 LYS 40 2HZ LYS 40 -6.141 -21.860 2.767 341 H ARG 41 H ARG 41 -5.472 -16.319 6.960 342 HA ARG 41 HA ARG 41 -7.627 -14.433 6.868 343 HB2 ARG 41 2HB ARG 41 -5.229 -14.638 8.745 344 HB3 ARG 41 3HB ARG 41 -6.464 -13.397 8.916 345 HG2 ARG 41 2HG ARG 41 -6.947 -15.160 10.488 346 HG3 ARG 41 3HG ARG 41 -8.181 -15.189 9.229 347 HD2 ARG 41 2HD ARG 41 -7.052 -17.089 8.152 348 HD3 ARG 41 3HD ARG 41 -5.776 -17.040 9.369 349 HE ARG 41 HE ARG 41 -8.335 -17.386 10.572 350 HH11 ARG 41 1HH1 ARG 41 -5.853 -19.152 8.771 351 HH12 ARG 41 2HH1 ARG 41 -6.304 -20.690 9.442 352 HH21 ARG 41 1HH2 ARG 41 -8.901 -19.417 11.431 353 HH22 ARG 41 2HH2 ARG 41 -8.029 -20.838 10.946 354 H LEU 42 H LEU 42 -4.247 -14.319 6.046 355 HA LEU 42 HA LEU 42 -3.745 -11.674 5.479 356 HB2 LEU 42 2HB LEU 42 -2.081 -13.451 5.408 357 HB3 LEU 42 3HB LEU 42 -2.918 -14.239 4.091 358 HG LEU 42 HG LEU 42 -2.238 -12.493 2.525 359 HD11 LEU 42 1HD1 LEU 42 -0.958 -11.141 4.901 360 HD12 LEU 42 2HD1 LEU 42 -2.364 -10.574 3.999 361 HD13 LEU 42 3HD1 LEU 42 -0.794 -10.656 3.215 362 HD21 LEU 42 3HD2 LEU 42 0.204 -12.834 2.566 363 HD22 LEU 42 1HD2 LEU 42 -0.662 -14.335 2.895 364 HD23 LEU 42 2HD2 LEU 42 0.098 -13.448 4.220 365 H GLU 43 H GLU 43 -5.028 -14.153 3.225 366 HA GLU 43 HA GLU 43 -5.502 -12.161 1.179 367 HB2 GLU 43 2HB GLU 43 -5.897 -15.173 1.178 368 HB3 GLU 43 3HB GLU 43 -6.289 -14.142 -0.202 369 HG2 GLU 43 2HG GLU 43 -3.918 -13.344 -0.242 370 HG3 GLU 43 3HG GLU 43 -3.554 -14.452 1.078 371 H GLU 44 H GLU 44 -7.393 -13.530 3.712 372 HA GLU 44 HA GLU 44 -9.966 -12.796 2.724 373 HB2 GLU 44 2HB GLU 44 -8.867 -13.083 5.561 374 HB3 GLU 44 3HB GLU 44 -10.539 -12.640 5.239 375 HG2 GLU 44 2HG GLU 44 -9.215 -15.217 4.363 376 HG3 GLU 44 3HG GLU 44 -10.275 -15.036 5.758 377 H LYS 45 H LYS 45 -7.491 -11.142 4.679 378 HA LYS 45 HA LYS 45 -8.734 -8.648 5.014 379 HB2 LYS 45 2HB LYS 45 -6.780 -9.297 6.334 380 HB3 LYS 45 3HB LYS 45 -5.785 -9.418 4.891 381 HG2 LYS 45 2HG LYS 45 -5.245 -7.390 6.156 382 HG3 LYS 45 3HG LYS 45 -5.908 -6.981 4.573 383 HD2 LYS 45 2HD LYS 45 -6.816 -5.487 6.274 384 HD3 LYS 45 3HD LYS 45 -8.107 -6.505 5.634 385 HE2 LYS 45 2HE LYS 45 -7.889 -7.971 7.640 386 HE3 LYS 45 3HE LYS 45 -6.650 -6.884 8.275 387 HZ1 LYS 45 3HZ LYS 45 -8.789 -6.409 9.240 388 HZ2 LYS 45 1HZ LYS 45 -9.474 -6.165 7.716 389 HZ3 LYS 45 2HZ LYS 45 -8.291 -5.108 8.287 390 H ILE 46 H ILE 46 -6.783 -9.973 2.384 391 HA ILE 46 HA ILE 46 -6.473 -7.674 0.786 392 HB ILE 46 HB ILE 46 -6.547 -10.636 0.066 393 HG12 ILE 46 2HG1 ILE 46 -4.266 -8.644 0.407 394 HG13 ILE 46 3HG1 ILE 46 -4.647 -9.990 1.467 395 HG21 ILE 46 1HG2 ILE 46 -5.806 -8.356 -1.794 396 HG22 ILE 46 2HG2 ILE 46 -7.214 -9.406 -1.949 397 HG23 ILE 46 3HG2 ILE 46 -5.593 -10.073 -2.143 398 HD11 ILE 46 3HD1 ILE 46 -4.053 -11.539 -0.353 399 HD12 ILE 46 1HD1 ILE 46 -2.726 -10.495 0.150 400 HD13 ILE 46 2HD1 ILE 46 -3.590 -10.153 -1.347 401 H GLN 47 H GLN 47 -9.088 -10.142 0.929 402 HA GLN 47 HA GLN 47 -10.579 -9.128 -1.288 403 HB2 GLN 47 2HB GLN 47 -11.673 -10.760 1.045 404 HB3 GLN 47 3HB GLN 47 -12.439 -10.535 -0.522 405 HG2 GLN 47 2HG GLN 47 -9.993 -12.154 0.144 406 HG3 GLN 47 3HG GLN 47 -11.514 -12.720 -0.522 407 HE21 GLN 47 1HE2 GLN 47 -8.408 -11.383 -1.218 408 HE22 GLN 47 2HE2 GLN 47 -8.527 -11.424 -2.940 409 H LYS 48 H LYS 48 -10.621 -8.445 2.192 410 HA LYS 48 HA LYS 48 -13.009 -6.908 2.301 411 HB2 LYS 48 2HB LYS 48 -10.565 -6.602 4.105 412 HB3 LYS 48 3HB LYS 48 -12.197 -6.053 4.464 413 HG2 LYS 48 2HG LYS 48 -11.200 -8.900 4.312 414 HG3 LYS 48 3HG LYS 48 -11.748 -8.036 5.745 415 HD2 LYS 48 2HD LYS 48 -14.059 -7.975 4.781 416 HD3 LYS 48 3HD LYS 48 -13.481 -8.903 3.392 417 HE2 LYS 48 2HE LYS 48 -13.593 -9.820 6.288 418 HE3 LYS 48 3HE LYS 48 -14.558 -10.427 4.943 419 HZ1 LYS 48 3HZ LYS 48 -12.844 -11.983 5.344 420 HZ2 LYS 48 1HZ LYS 48 -11.645 -10.783 5.373 421 HZ3 LYS 48 2HZ LYS 48 -12.416 -11.169 3.925 422 H LEU 49 H LEU 49 -9.620 -6.074 1.795 423 HA LEU 49 HA LEU 49 -9.942 -3.245 1.658 424 HB2 LEU 49 2HB LEU 49 -7.710 -5.159 0.958 425 HB3 LEU 49 3HB LEU 49 -7.556 -3.448 0.608 426 HG LEU 49 HG LEU 49 -8.099 -4.495 3.410 427 HD11 LEU 49 1HD1 LEU 49 -5.716 -4.215 3.882 428 HD12 LEU 49 2HD1 LEU 49 -5.407 -3.811 2.190 429 HD13 LEU 49 3HD1 LEU 49 -5.972 -5.426 2.626 430 HD21 LEU 49 3HD2 LEU 49 -7.299 -2.273 4.098 431 HD22 LEU 49 1HD2 LEU 49 -8.708 -2.150 3.047 432 HD23 LEU 49 2HD2 LEU 49 -7.098 -1.806 2.407 433 H LYS 50 H LYS 50 -9.794 -5.825 -0.866 434 HA LYS 50 HA LYS 50 -9.760 -4.041 -3.075 435 HB2 LYS 50 2HB LYS 50 -10.595 -6.968 -2.875 436 HB3 LYS 50 3HB LYS 50 -10.523 -6.082 -4.396 437 HG2 LYS 50 2HG LYS 50 -8.091 -5.669 -4.025 438 HG3 LYS 50 3HG LYS 50 -8.178 -6.613 -2.536 439 HD2 LYS 50 2HD LYS 50 -7.269 -8.001 -4.330 440 HD3 LYS 50 3HD LYS 50 -8.859 -8.611 -3.863 441 HE2 LYS 50 2HE LYS 50 -9.844 -7.417 -5.830 442 HE3 LYS 50 3HE LYS 50 -8.221 -6.915 -6.305 443 HZ1 LYS 50 3HZ LYS 50 -9.257 -9.696 -6.173 444 HZ2 LYS 50 1HZ LYS 50 -7.635 -9.296 -6.451 445 HZ3 LYS 50 2HZ LYS 50 -8.826 -8.823 -7.554 446 H SER 51 H SER 51 -12.405 -5.551 -1.211 447 HA SER 51 HA SER 51 -14.562 -4.474 -2.685 448 HB2 SER 51 2HB SER 51 -14.417 -5.181 0.275 449 HB3 SER 51 3HB SER 51 -15.901 -4.927 -0.648 450 HG SER 51 HG SER 51 -14.532 -7.166 -0.387 451 H GLN 52 H GLN 52 -12.582 -3.111 -0.051 452 HA GLN 52 HA GLN 52 -13.976 -0.618 0.171 453 HB2 GLN 52 2HB GLN 52 -11.151 -1.437 0.955 454 HB3 GLN 52 3HB GLN 52 -11.806 0.163 1.279 455 HG2 GLN 52 2HG GLN 52 -13.543 -0.813 2.711 456 HG3 GLN 52 3HG GLN 52 -12.930 -2.434 2.372 457 HE21 GLN 52 1HE2 GLN 52 -10.945 -3.064 3.301 458 HE22 GLN 52 2HE2 GLN 52 -10.225 -2.213 4.621 459 H GLY 53 H GLY 53 -11.986 -1.907 -2.259 460 HA2 GLY 53 2HA GLY 53 -11.766 -1.013 -4.400 461 HA3 GLY 53 3HA GLY 53 -12.072 0.599 -3.766 462 H PHE 54 H PHE 54 -9.664 -2.030 -3.418 463 HA PHE 54 HA PHE 54 -7.474 -0.128 -3.988 464 HB2 PHE 54 2HB PHE 54 -7.517 -2.062 -1.603 465 HB3 PHE 54 3HB PHE 54 -6.100 -1.162 -2.127 466 HD1 PHE 54 HD2 PHE 54 -6.265 1.431 -2.101 467 HD2 PHE 54 HD1 PHE 54 -8.984 -1.114 0.007 468 HE1 PHE 54 HE2 PHE 54 -6.937 3.303 -0.660 469 HE2 PHE 54 HE1 PHE 54 -9.645 0.773 1.439 470 HZ PHE 54 HZ PHE 54 -8.615 2.973 1.104 471 H GLU 55 H GLU 55 -5.959 -1.071 -5.376 472 HA GLU 55 HA GLU 55 -6.165 -3.861 -6.116 473 HB2 GLU 55 2HB GLU 55 -5.425 -2.272 -7.840 474 HB3 GLU 55 3HB GLU 55 -4.048 -1.794 -6.855 475 HG2 GLU 55 2HG GLU 55 -3.355 -3.281 -8.685 476 HG3 GLU 55 3HG GLU 55 -3.052 -4.033 -7.120 477 H VAL 56 H VAL 56 -5.742 -5.154 -4.444 478 HA VAL 56 HA VAL 56 -3.322 -4.763 -2.799 479 HB VAL 56 HB VAL 56 -5.709 -6.537 -2.098 480 HG11 VAL 56 1HG1 VAL 56 -4.812 -6.372 0.207 481 HG12 VAL 56 2HG1 VAL 56 -3.473 -5.386 -0.385 482 HG13 VAL 56 3HG1 VAL 56 -3.625 -7.068 -0.900 483 HG21 VAL 56 3HG2 VAL 56 -6.492 -4.213 -2.350 484 HG22 VAL 56 1HG2 VAL 56 -5.247 -3.669 -1.223 485 HG23 VAL 56 2HG2 VAL 56 -6.537 -4.733 -0.667 486 H ARG 57 H ARG 57 -1.854 -6.380 -2.683 487 HA ARG 57 HA ARG 57 -2.214 -8.823 -4.328 488 HB2 ARG 57 2HB ARG 57 0.298 -7.075 -4.287 489 HB3 ARG 57 3HB ARG 57 0.107 -8.579 -5.172 490 HG2 ARG 57 2HG ARG 57 -1.317 -5.961 -5.720 491 HG3 ARG 57 3HG ARG 57 -0.037 -6.689 -6.686 492 HD2 ARG 57 2HD ARG 57 -2.826 -7.816 -6.281 493 HD3 ARG 57 3HD ARG 57 -2.234 -7.003 -7.729 494 HE ARG 57 HE ARG 57 -0.497 -8.967 -7.642 495 HH11 ARG 57 1HH1 ARG 57 -3.952 -9.201 -7.008 496 HH12 ARG 57 2HH1 ARG 57 -4.059 -10.842 -7.554 497 HH21 ARG 57 1HH2 ARG 57 -0.670 -11.125 -8.379 498 HH22 ARG 57 2HH2 ARG 57 -2.209 -11.928 -8.326 499 H LYS 58 H LYS 58 -1.207 -10.657 -3.475 500 HA LYS 58 HA LYS 58 -0.242 -10.517 -0.721 501 HB2 LYS 58 2HB LYS 58 -1.859 -12.328 -1.573 502 HB3 LYS 58 3HB LYS 58 -0.522 -13.004 -2.486 503 HG2 LYS 58 2HG LYS 58 -0.225 -12.606 0.489 504 HG3 LYS 58 3HG LYS 58 -1.178 -13.961 -0.096 505 HD2 LYS 58 2HD LYS 58 1.704 -13.491 -0.953 506 HD3 LYS 58 3HD LYS 58 1.268 -14.440 0.470 507 HE2 LYS 58 2HE LYS 58 0.348 -15.055 -2.360 508 HE3 LYS 58 3HE LYS 58 1.679 -15.858 -1.527 509 HZ1 LYS 58 3HZ LYS 58 -1.170 -15.882 -0.669 510 HZ2 LYS 58 1HZ LYS 58 0.110 -16.631 0.152 511 HZ3 LYS 58 2HZ LYS 58 -0.335 -17.160 -1.387 512 H VAL 59 H VAL 59 1.879 -10.622 -0.213 513 HA VAL 59 HA VAL 59 3.869 -11.053 -2.366 514 HB VAL 59 HB VAL 59 5.367 -9.409 -1.108 515 HG11 VAL 59 1HG1 VAL 59 2.824 -8.257 -2.318 516 HG12 VAL 59 2HG1 VAL 59 4.248 -8.789 -3.216 517 HG13 VAL 59 3HG1 VAL 59 4.360 -7.405 -2.127 518 HG21 VAL 59 3HG2 VAL 59 2.758 -8.682 0.280 519 HG22 VAL 59 1HG2 VAL 59 4.253 -7.746 0.370 520 HG23 VAL 59 2HG2 VAL 59 4.191 -9.375 1.045 521 H LYS 60 H LYS 60 5.949 -11.751 -1.606 522 HA LYS 60 HA LYS 60 5.618 -14.055 0.105 523 HB2 LYS 60 2HB LYS 60 8.143 -13.081 -1.297 524 HB3 LYS 60 3HB LYS 60 7.802 -14.719 -0.736 525 HG2 LYS 60 2HG LYS 60 6.047 -14.971 -2.427 526 HG3 LYS 60 3HG LYS 60 6.275 -13.296 -2.946 527 HD2 LYS 60 2HD LYS 60 8.667 -13.921 -3.567 528 HD3 LYS 60 3HD LYS 60 8.238 -15.604 -3.238 529 HE2 LYS 60 2HE LYS 60 6.477 -15.483 -4.975 530 HE3 LYS 60 3HE LYS 60 6.931 -13.810 -5.308 531 HZ1 LYS 60 3HZ LYS 60 8.590 -16.233 -5.733 532 HZ2 LYS 60 1HZ LYS 60 9.174 -14.653 -5.895 533 HZ3 LYS 60 2HZ LYS 60 7.950 -15.214 -6.914 534 H ASP 61 H ASP 61 7.528 -11.087 0.097 535 HA ASP 61 HA ASP 61 7.850 -10.933 2.936 536 HB2 ASP 61 2HB ASP 61 9.543 -12.735 2.282 537 HB3 ASP 61 3HB ASP 61 10.367 -11.538 1.295 538 H ASP 62 H ASP 62 9.604 -8.996 3.351 539 HA ASP 62 HA ASP 62 8.727 -6.757 1.751 540 HB2 ASP 62 2HB ASP 62 10.091 -5.365 3.231 541 HB3 ASP 62 3HB ASP 62 9.146 -6.505 4.179 542 H ASP 63 H ASP 63 11.567 -8.783 1.906 543 HA ASP 63 HA ASP 63 13.292 -7.778 0.017 544 HB2 ASP 63 2HB ASP 63 13.721 -9.930 1.103 545 HB3 ASP 63 3HB ASP 63 12.292 -10.650 0.367 546 H ASP 64 H ASP 64 10.343 -9.665 -0.610 547 HA ASP 64 HA ASP 64 10.386 -9.557 -3.445 548 HB2 ASP 64 2HB ASP 64 9.158 -11.276 -2.064 549 HB3 ASP 64 3HB ASP 64 7.998 -10.040 -1.599 550 H ILE 65 H ILE 65 9.025 -7.560 -0.945 551 HA ILE 65 HA ILE 65 7.244 -5.950 -2.472 552 HB ILE 65 HB ILE 65 8.552 -5.533 0.232 553 HG12 ILE 65 2HG1 ILE 65 5.673 -6.087 -0.591 554 HG13 ILE 65 3HG1 ILE 65 6.807 -7.291 0.007 555 HG21 ILE 65 1HG2 ILE 65 8.239 -3.267 -0.654 556 HG22 ILE 65 2HG2 ILE 65 7.092 -3.582 0.647 557 HG23 ILE 65 3HG2 ILE 65 6.553 -3.631 -1.031 558 HD11 ILE 65 3HD1 ILE 65 5.255 -6.652 1.721 559 HD12 ILE 65 1HD1 ILE 65 5.703 -4.958 1.551 560 HD13 ILE 65 2HD1 ILE 65 6.879 -6.123 2.159 561 H ASP 66 H ASP 66 10.639 -5.260 -1.446 562 HA ASP 66 HA ASP 66 10.779 -2.685 -2.606 563 HB2 ASP 66 2HB ASP 66 12.368 -3.501 -0.893 564 HB3 ASP 66 3HB ASP 66 13.045 -4.648 -2.043 565 H LYS 67 H LYS 67 11.358 -5.874 -3.921 566 HA LYS 67 HA LYS 67 12.386 -5.003 -6.479 567 HB2 LYS 67 2HB LYS 67 11.337 -7.706 -5.560 568 HB3 LYS 67 3HB LYS 67 12.111 -7.411 -7.115 569 HG2 LYS 67 2HG LYS 67 14.190 -6.737 -5.945 570 HG3 LYS 67 3HG LYS 67 13.417 -7.074 -4.394 571 HD2 LYS 67 2HD LYS 67 14.018 -9.099 -6.590 572 HD3 LYS 67 3HD LYS 67 14.850 -8.955 -5.040 573 HE2 LYS 67 2HE LYS 67 12.648 -9.474 -3.906 574 HE3 LYS 67 3HE LYS 67 11.971 -9.803 -5.502 575 HZ1 LYS 67 3HZ LYS 67 12.628 -11.861 -4.612 576 HZ2 LYS 67 1HZ LYS 67 14.121 -11.273 -4.098 577 HZ3 LYS 67 2HZ LYS 67 13.819 -11.477 -5.747 578 H TRP 68 H TRP 68 9.255 -5.796 -5.119 579 HA TRP 68 HA TRP 68 7.677 -5.918 -7.464 580 HB2 TRP 68 2HB TRP 68 7.021 -6.596 -5.047 581 HB3 TRP 68 3HB TRP 68 6.722 -4.894 -4.740 582 HD1 TRP 68 HD1 TRP 68 5.209 -7.975 -6.356 583 HE1 TRP 68 HE1 TRP 68 2.796 -7.454 -7.083 584 HE3 TRP 68 HE3 TRP 68 5.176 -2.895 -5.645 585 HZ2 TRP 68 HZ2 TRP 68 1.097 -5.220 -7.310 586 HZ3 TRP 68 HZ3 TRP 68 3.112 -1.641 -6.126 587 HH2 TRP 68 HH2 TRP 68 1.109 -2.786 -6.946 588 H ILE 69 H ILE 69 8.605 -3.256 -5.308 589 HA ILE 69 HA ILE 69 7.202 -1.200 -6.751 590 HB ILE 69 HB ILE 69 9.084 -1.246 -4.387 591 HG12 ILE 69 2HG1 ILE 69 7.164 0.197 -3.420 592 HG13 ILE 69 3HG1 ILE 69 6.286 -0.162 -4.898 593 HG21 ILE 69 1HG2 ILE 69 10.036 0.610 -5.661 594 HG22 ILE 69 2HG2 ILE 69 9.179 1.217 -4.242 595 HG23 ILE 69 3HG2 ILE 69 8.435 1.333 -5.838 596 HD11 ILE 69 3HD1 ILE 69 5.606 -1.583 -3.057 597 HD12 ILE 69 1HD1 ILE 69 7.256 -2.174 -2.882 598 HD13 ILE 69 2HD1 ILE 69 6.340 -2.537 -4.345 599 H ASP 70 H ASP 70 10.437 -2.585 -6.813 600 HA ASP 70 HA ASP 70 11.884 -0.713 -8.286 601 HB2 ASP 70 2HB ASP 70 12.852 -2.780 -7.234 602 HB3 ASP 70 3HB ASP 70 12.104 -3.757 -8.492 603 H LYS 71 H LYS 71 9.862 -3.410 -9.465 604 HA LYS 71 HA LYS 71 10.364 -2.763 -12.212 605 HB2 LYS 71 2HB LYS 71 8.794 -4.600 -12.758 606 HB3 LYS 71 3HB LYS 71 10.089 -5.077 -11.680 607 HG2 LYS 71 2HG LYS 71 8.243 -6.217 -10.831 608 HG3 LYS 71 3HG LYS 71 8.366 -4.817 -9.770 609 HD2 LYS 71 2HD LYS 71 6.019 -5.365 -10.423 610 HD3 LYS 71 3HD LYS 71 6.505 -3.733 -10.892 611 HE2 LYS 71 2HE LYS 71 5.182 -4.911 -12.651 612 HE3 LYS 71 3HE LYS 71 6.787 -4.442 -13.214 613 HZ1 LYS 71 3HZ LYS 71 5.971 -7.150 -12.311 614 HZ2 LYS 71 1HZ LYS 71 7.522 -6.726 -12.829 615 HZ3 LYS 71 2HZ LYS 71 6.228 -6.671 -13.909 616 H ILE 72 H ILE 72 7.838 -1.903 -9.894 617 HA ILE 72 HA ILE 72 5.906 -0.918 -11.734 618 HB ILE 72 HB ILE 72 6.452 -0.080 -8.845 619 HG12 ILE 72 2HG1 ILE 72 5.705 -2.444 -9.111 620 HG13 ILE 72 3HG1 ILE 72 4.529 -1.478 -8.240 621 HG21 ILE 72 1HG2 ILE 72 4.053 0.642 -10.566 622 HG22 ILE 72 2HG2 ILE 72 5.284 1.754 -9.963 623 HG23 ILE 72 3HG2 ILE 72 4.197 0.949 -8.832 624 HD11 ILE 72 3HD1 ILE 72 3.133 -1.368 -10.244 625 HD12 ILE 72 1HD1 ILE 72 3.466 -3.027 -9.752 626 HD13 ILE 72 2HD1 ILE 72 4.322 -2.332 -11.128 627 H LYS 73 H LYS 73 8.685 0.632 -10.122 628 HA LYS 73 HA LYS 73 8.341 3.250 -11.175 629 HB2 LYS 73 2HB LYS 73 10.885 1.878 -10.203 630 HB3 LYS 73 3HB LYS 73 10.717 3.609 -10.495 631 HG2 LYS 73 2HG LYS 73 9.001 3.728 -8.712 632 HG3 LYS 73 3HG LYS 73 9.221 2.006 -8.397 633 HD2 LYS 73 2HD LYS 73 11.328 4.177 -8.058 634 HD3 LYS 73 3HD LYS 73 10.455 3.364 -6.759 635 HE2 LYS 73 2HE LYS 73 11.507 1.216 -7.386 636 HE3 LYS 73 3HE LYS 73 12.370 2.022 -8.702 637 HZ1 LYS 73 3HZ LYS 73 13.392 3.471 -6.962 638 HZ2 LYS 73 1HZ LYS 73 13.843 1.846 -6.874 639 HZ3 LYS 73 2HZ LYS 73 12.709 2.466 -5.788 640 H LYS 74 H LYS 74 9.837 0.336 -12.394 641 HA LYS 74 HA LYS 74 11.371 1.503 -14.515 642 HB2 LYS 74 2HB LYS 74 11.911 -0.678 -13.412 643 HB3 LYS 74 3HB LYS 74 10.451 -1.374 -14.105 644 HG2 LYS 74 2HG LYS 74 11.384 -0.974 -16.385 645 HG3 LYS 74 3HG LYS 74 12.861 -0.351 -15.649 646 HD2 LYS 74 2HD LYS 74 11.772 -3.180 -15.422 647 HD3 LYS 74 3HD LYS 74 13.193 -2.672 -16.333 648 HE2 LYS 74 2HE LYS 74 14.306 -2.028 -14.211 649 HE3 LYS 74 3HE LYS 74 12.882 -2.567 -13.314 650 HZ1 LYS 74 3HZ LYS 74 14.721 -4.241 -14.934 651 HZ2 LYS 74 1HZ LYS 74 13.253 -4.799 -14.307 652 HZ3 LYS 74 2HZ LYS 74 14.478 -4.296 -13.263 653 H GLU 75 H GLU 75 8.208 -0.103 -14.257 654 HA GLU 75 HA GLU 75 7.522 -0.015 -17.033 655 HB2 GLU 75 2HB GLU 75 5.730 -0.276 -14.570 656 HB3 GLU 75 3HB GLU 75 5.191 -0.512 -16.227 657 HG2 GLU 75 2HG GLU 75 7.267 -2.208 -14.818 658 HG3 GLU 75 3HG GLU 75 5.571 -2.632 -14.999 659 H ARG 76 H ARG 76 6.953 2.066 -14.237 660 HA ARG 76 HA ARG 76 5.664 4.154 -15.894 661 HB2 ARG 76 2HB ARG 76 4.715 3.244 -13.134 662 HB3 ARG 76 3HB ARG 76 4.004 4.524 -14.111 663 HG2 ARG 76 2HG ARG 76 3.317 2.870 -15.805 664 HG3 ARG 76 3HG ARG 76 4.064 1.583 -14.857 665 HD2 ARG 76 2HD ARG 76 1.680 1.549 -14.482 666 HD3 ARG 76 3HD ARG 76 2.476 2.088 -12.999 667 HE ARG 76 HE ARG 76 1.705 4.317 -14.599 668 HH11 ARG 76 1HH1 ARG 76 0.363 1.901 -12.415 669 HH12 ARG 76 2HH1 ARG 76 -0.977 2.896 -11.947 670 HH21 ARG 76 1HH2 ARG 76 -0.054 5.615 -13.989 671 HH22 ARG 76 2HH2 ARG 76 -1.219 5.015 -12.842 672 HA PRO 77 HA PRO 77 8.798 6.314 -13.249 673 HB2 PRO 77 2HB PRO 77 10.188 7.602 -15.161 674 HB3 PRO 77 3HB PRO 77 10.435 5.863 -14.887 675 HG2 PRO 77 2HG PRO 77 8.799 7.206 -17.017 676 HG3 PRO 77 3HG PRO 77 9.924 5.839 -17.164 677 HD2 PRO 77 2HD PRO 77 7.167 5.555 -16.935 678 HD3 PRO 77 3HD PRO 77 8.341 4.294 -16.495 679 H GLN 78 H GLN 78 6.122 7.204 -15.153 680 HA GLN 78 HA GLN 78 6.406 10.066 -15.132 681 HB2 GLN 78 2HB GLN 78 3.811 8.494 -15.425 682 HB3 GLN 78 3HB GLN 78 4.087 10.165 -15.897 683 HG2 GLN 78 2HG GLN 78 5.818 9.259 -17.551 684 HG3 GLN 78 3HG GLN 78 5.166 7.661 -17.194 685 HE21 GLN 78 1HE2 GLN 78 2.928 7.245 -17.767 686 HE22 GLN 78 2HE2 GLN 78 2.173 8.139 -19.035 687 H LEU 79 H LEU 79 6.051 8.108 -12.548 688 HA LEU 79 HA LEU 79 4.702 10.099 -10.886 689 HB2 LEU 79 2HB LEU 79 3.449 8.101 -9.793 690 HB3 LEU 79 3HB LEU 79 2.838 8.778 -11.290 691 HG LEU 79 HG LEU 79 4.023 6.839 -12.514 692 HD11 LEU 79 1HD1 LEU 79 5.557 6.122 -10.762 693 HD12 LEU 79 2HD1 LEU 79 4.494 4.801 -11.242 694 HD13 LEU 79 3HD1 LEU 79 4.197 5.665 -9.730 695 HD21 LEU 79 3HD2 LEU 79 1.604 6.905 -12.210 696 HD22 LEU 79 1HD2 LEU 79 1.764 6.149 -10.625 697 HD23 LEU 79 2HD2 LEU 79 2.209 5.256 -12.079 698 H GLU 80 H GLU 80 5.092 9.704 -8.548 699 HA GLU 80 HA GLU 80 7.616 8.413 -7.921 700 HB2 GLU 80 2HB GLU 80 7.038 10.591 -6.889 701 HB3 GLU 80 3HB GLU 80 5.576 9.893 -6.202 702 HG2 GLU 80 2HG GLU 80 7.077 8.289 -4.935 703 HG3 GLU 80 3HG GLU 80 8.430 9.271 -5.465 704 H VAL 81 H VAL 81 7.756 6.451 -6.748 705 HA VAL 81 HA VAL 81 5.232 5.159 -5.836 706 HB VAL 81 HB VAL 81 7.729 3.624 -6.708 707 HG11 VAL 81 1HG1 VAL 81 4.884 2.678 -6.182 708 HG12 VAL 81 2HG1 VAL 81 6.272 2.421 -5.122 709 HG13 VAL 81 3HG1 VAL 81 6.228 1.662 -6.713 710 HG21 VAL 81 3HG2 VAL 81 6.557 3.043 -8.794 711 HG22 VAL 81 1HG2 VAL 81 6.813 4.787 -8.676 712 HG23 VAL 81 2HG2 VAL 81 5.218 4.105 -8.349 713 H ARG 82 H ARG 82 5.152 5.148 -3.689 714 HA ARG 82 HA ARG 82 7.633 5.483 -2.084 715 HB2 ARG 82 2HB ARG 82 6.075 7.444 -2.121 716 HB3 ARG 82 3HB ARG 82 4.778 6.411 -1.538 717 HG2 ARG 82 2HG ARG 82 5.479 7.571 0.376 718 HG3 ARG 82 3HG ARG 82 6.260 5.997 0.538 719 HD2 ARG 82 2HD ARG 82 7.808 7.790 1.129 720 HD3 ARG 82 3HD ARG 82 8.366 6.981 -0.337 721 HE ARG 82 HE ARG 82 7.490 8.870 -1.616 722 HH11 ARG 82 1HH1 ARG 82 7.911 9.452 1.837 723 HH12 ARG 82 2HH1 ARG 82 8.008 11.175 1.643 724 HH21 ARG 82 1HH2 ARG 82 7.614 11.111 -1.847 725 HH22 ARG 82 2HH2 ARG 82 7.839 12.123 -0.449 726 H LYS 83 H LYS 83 8.100 3.518 -1.096 727 HA LYS 83 HA LYS 83 6.072 1.641 -0.260 728 HB2 LYS 83 2HB LYS 83 8.999 1.715 0.600 729 HB3 LYS 83 3HB LYS 83 7.879 0.369 0.804 730 HG2 LYS 83 2HG LYS 83 7.709 0.346 -1.761 731 HG3 LYS 83 3HG LYS 83 9.122 1.403 -1.750 732 HD2 LYS 83 2HD LYS 83 8.921 -1.432 -0.676 733 HD3 LYS 83 3HD LYS 83 9.868 -0.877 -2.056 734 HE2 LYS 83 2HE LYS 83 10.380 -0.231 0.870 735 HE3 LYS 83 3HE LYS 83 11.344 -1.274 -0.175 736 HZ1 LYS 83 3HZ LYS 83 12.323 0.916 0.121 737 HZ2 LYS 83 1HZ LYS 83 10.972 1.645 -0.577 738 HZ3 LYS 83 2HZ LYS 83 11.952 0.617 -1.499 739 H VAL 84 H VAL 84 4.910 1.818 1.493 740 HA VAL 84 HA VAL 84 5.731 3.514 3.782 741 HB VAL 84 HB VAL 84 2.962 2.921 2.629 742 HG11 VAL 84 1HG1 VAL 84 2.778 2.940 5.084 743 HG12 VAL 84 2HG1 VAL 84 1.995 4.354 4.382 744 HG13 VAL 84 3HG1 VAL 84 3.576 4.514 5.147 745 HG21 VAL 84 3HG2 VAL 84 4.262 4.625 1.404 746 HG22 VAL 84 1HG2 VAL 84 4.458 5.553 2.895 747 HG23 VAL 84 2HG2 VAL 84 2.852 5.330 2.196 748 H THR 85 H THR 85 6.761 1.879 4.914 749 HA THR 85 HA THR 85 5.450 -0.675 5.417 750 HB THR 85 HB THR 85 7.542 -1.176 6.744 751 HG1 THR 85 HG1 THR 85 8.333 0.745 7.416 752 HG21 THR 85 3HG2 THR 85 9.076 -1.285 4.811 753 HG22 THR 85 1HG2 THR 85 8.053 -0.152 3.926 754 HG23 THR 85 2HG2 THR 85 7.442 -1.757 4.332 755 H ASP 86 H ASP 86 6.233 2.277 7.166 756 HA ASP 86 HA ASP 86 4.899 1.348 9.627 757 HB2 ASP 86 2HB ASP 86 6.528 3.872 9.058 758 HB3 ASP 86 3HB ASP 86 5.796 3.488 10.612 759 H GLU 87 H GLU 87 3.069 2.287 10.412 760 HA GLU 87 HA GLU 87 1.175 3.734 8.968 761 HB2 GLU 87 2HB GLU 87 0.484 2.539 10.915 762 HB3 GLU 87 3HB GLU 87 1.697 3.289 11.926 763 HG2 GLU 87 2HG GLU 87 -0.276 5.220 10.863 764 HG3 GLU 87 3HG GLU 87 -1.004 3.958 11.853 765 H ASP 88 H ASP 88 3.793 4.831 11.067 766 HA ASP 88 HA ASP 88 3.414 7.559 11.228 767 HB2 ASP 88 2HB ASP 88 6.037 6.044 10.832 768 HB3 ASP 88 3HB ASP 88 5.930 7.713 11.378 769 H GLN 89 H GLN 89 4.910 5.692 8.589 770 HA GLN 89 HA GLN 89 5.671 7.866 6.931 771 HB2 GLN 89 2HB GLN 89 5.084 4.987 6.094 772 HB3 GLN 89 3HB GLN 89 5.960 6.182 5.139 773 HG2 GLN 89 2HG GLN 89 7.723 6.262 6.852 774 HG3 GLN 89 3HG GLN 89 6.852 5.058 7.802 775 HE21 GLN 89 1HE2 GLN 89 8.590 3.603 7.695 776 HE22 GLN 89 2HE2 GLN 89 8.992 2.752 6.246 777 H ALA 90 H ALA 90 2.724 5.921 7.147 778 HA ALA 90 HA ALA 90 1.384 6.888 4.861 779 HB1 ALA 90 3HB ALA 90 -0.680 6.022 5.901 780 HB2 ALA 90 1HB ALA 90 0.173 5.832 7.438 781 HB3 ALA 90 2HB ALA 90 0.645 4.865 6.041 782 H LYS 91 H LYS 91 1.696 8.169 8.112 783 HA LYS 91 HA LYS 91 -0.081 10.420 7.655 784 HB2 LYS 91 2HB LYS 91 1.879 9.799 9.892 785 HB3 LYS 91 3HB LYS 91 0.844 11.226 9.873 786 HG2 LYS 91 2HG LYS 91 -1.161 9.823 9.907 787 HG3 LYS 91 3HG LYS 91 -0.171 8.361 9.822 788 HD2 LYS 91 2HD LYS 91 0.808 8.878 12.030 789 HD3 LYS 91 3HD LYS 91 -0.122 10.378 12.108 790 HE2 LYS 91 2HE LYS 91 -2.201 9.163 12.247 791 HE3 LYS 91 3HE LYS 91 -1.392 7.630 11.907 792 HZ1 LYS 91 3HZ LYS 91 -0.863 9.287 14.318 793 HZ2 LYS 91 1HZ LYS 91 -0.274 7.733 13.996 794 HZ3 LYS 91 2HZ LYS 91 -1.923 7.974 14.275 795 H GLN 92 H GLN 92 3.418 9.862 7.355 796 HA GLN 92 HA GLN 92 4.191 12.610 7.227 797 HB2 GLN 92 2HB GLN 92 5.630 10.154 6.117 798 HB3 GLN 92 3HB GLN 92 6.329 11.764 6.216 799 HG2 GLN 92 2HG GLN 92 5.522 9.998 8.535 800 HG3 GLN 92 3HG GLN 92 7.159 10.386 8.027 801 HE21 GLN 92 1HE2 GLN 92 6.696 13.236 7.627 802 HE22 GLN 92 2HE2 GLN 92 6.474 13.924 9.197 803 H ILE 93 H ILE 93 3.502 10.179 4.689 804 HA ILE 93 HA ILE 93 3.867 11.858 2.478 805 HB ILE 93 HB ILE 93 2.583 10.189 1.162 806 HG12 ILE 93 2HG1 ILE 93 1.984 9.000 3.904 807 HG13 ILE 93 3HG1 ILE 93 0.816 9.631 2.748 808 HG21 ILE 93 1HG2 ILE 93 4.554 8.958 3.130 809 HG22 ILE 93 2HG2 ILE 93 4.976 9.817 1.647 810 HG23 ILE 93 3HG2 ILE 93 4.106 8.285 1.560 811 HD11 ILE 93 3HD1 ILE 93 0.770 7.237 2.794 812 HD12 ILE 93 1HD1 ILE 93 2.490 7.153 2.419 813 HD13 ILE 93 2HD1 ILE 93 1.354 7.793 1.228 814 H LEU 94 H LEU 94 0.987 11.441 4.527 815 HA LEU 94 HA LEU 94 -0.872 12.927 3.094 816 HB2 LEU 94 2HB LEU 94 -0.350 12.895 6.095 817 HB3 LEU 94 3HB LEU 94 -1.713 13.756 5.402 818 HG LEU 94 HG LEU 94 -1.267 10.752 5.158 819 HD11 LEU 94 1HD1 LEU 94 -3.076 10.490 6.781 820 HD12 LEU 94 2HD1 LEU 94 -3.184 12.242 6.978 821 HD13 LEU 94 3HD1 LEU 94 -1.728 11.382 7.482 822 HD21 LEU 94 3HD2 LEU 94 -2.546 11.651 3.277 823 HD22 LEU 94 1HD2 LEU 94 -3.664 12.451 4.386 824 HD23 LEU 94 2HD2 LEU 94 -3.583 10.688 4.322 825 H GLU 95 H GLU 95 1.784 14.076 5.144 826 HA GLU 95 HA GLU 95 1.322 16.878 4.676 827 HB2 GLU 95 2HB GLU 95 3.795 15.547 5.858 828 HB3 GLU 95 3HB GLU 95 3.305 17.226 6.044 829 HG2 GLU 95 2HG GLU 95 1.963 14.784 7.228 830 HG3 GLU 95 3HG GLU 95 2.835 16.048 8.093 831 H ASP 96 H ASP 96 3.142 14.368 3.146 832 HA ASP 96 HA ASP 96 5.222 15.878 1.854 833 HB2 ASP 96 2HB ASP 96 5.338 13.394 2.087 834 HB3 ASP 96 3HB ASP 96 3.958 13.216 1.017 835 H LEU 97 H LEU 97 2.004 14.807 0.920 836 HA LEU 97 HA LEU 97 2.005 15.799 -1.749 837 HB2 LEU 97 2HB LEU 97 -0.088 14.709 0.140 838 HB3 LEU 97 3HB LEU 97 -0.598 15.450 -1.364 839 HG LEU 97 HG LEU 97 0.497 13.747 -2.697 840 HD11 LEU 97 1HD1 LEU 97 2.553 13.419 -1.379 841 HD12 LEU 97 2HD1 LEU 97 1.786 11.899 -1.837 842 HD13 LEU 97 3HD1 LEU 97 1.617 12.509 -0.186 843 HD21 LEU 97 3HD2 LEU 97 -0.923 12.424 -0.384 844 HD22 LEU 97 1HD2 LEU 97 -0.663 11.722 -1.984 845 HD23 LEU 97 2HD2 LEU 97 -1.683 13.146 -1.804 846 H LYS 98 H LYS 98 1.366 17.236 1.364 847 HA LYS 98 HA LYS 98 -0.075 19.546 0.351 848 HB2 LYS 98 2HB LYS 98 1.127 19.065 3.121 849 HB3 LYS 98 3HB LYS 98 0.063 20.398 2.682 850 HG2 LYS 98 2HG LYS 98 -0.667 17.460 2.719 851 HG3 LYS 98 3HG LYS 98 -1.169 18.672 3.897 852 HD2 LYS 98 2HD LYS 98 -2.463 19.844 2.145 853 HD3 LYS 98 3HD LYS 98 -1.928 18.664 0.945 854 HE2 LYS 98 2HE LYS 98 -3.678 18.101 3.365 855 HE3 LYS 98 3HE LYS 98 -4.202 18.145 1.680 856 HZ1 LYS 98 3HZ LYS 98 -2.734 16.252 1.235 857 HZ2 LYS 98 1HZ LYS 98 -3.897 15.887 2.406 858 HZ3 LYS 98 2HZ LYS 98 -2.302 16.192 2.871 859 H LYS 99 H LYS 99 3.204 18.761 1.413 860 HA LYS 99 HA LYS 99 4.388 21.325 1.125 861 HB2 LYS 99 2HB LYS 99 5.666 18.564 0.847 862 HB3 LYS 99 3HB LYS 99 6.566 20.075 0.995 863 HG2 LYS 99 2HG LYS 99 5.656 20.438 3.237 864 HG3 LYS 99 3HG LYS 99 4.656 18.995 3.090 865 HD2 LYS 99 2HD LYS 99 6.792 17.648 2.856 866 HD3 LYS 99 3HD LYS 99 7.691 19.119 3.250 867 HE2 LYS 99 2HE LYS 99 5.645 17.735 5.021 868 HE3 LYS 99 3HE LYS 99 7.394 17.711 5.242 869 HZ1 LYS 99 3HZ LYS 99 7.358 20.080 5.638 870 HZ2 LYS 99 1HZ LYS 99 6.300 19.309 6.704 871 HZ3 LYS 99 2HZ LYS 99 5.691 20.144 5.365 872 H LYS 100 H LYS 100 4.152 18.561 -1.091 873 HA LYS 100 HA LYS 100 4.130 18.286 -3.305 874 HB2 LYS 100 2HB LYS 100 2.201 19.886 -3.020 875 HB3 LYS 100 3HB LYS 100 3.265 21.205 -3.455 876 HG2 LYS 100 2HG LYS 100 2.775 18.889 -5.347 877 HG3 LYS 100 3HG LYS 100 1.664 20.256 -5.250 878 HD2 LYS 100 2HD LYS 100 3.689 21.761 -5.735 879 HD3 LYS 100 3HD LYS 100 4.578 20.282 -6.115 880 HE2 LYS 100 2HE LYS 100 3.759 21.230 -8.168 881 HE3 LYS 100 3HE LYS 100 2.835 19.765 -7.844 882 HZ1 LYS 100 3HZ LYS 100 1.470 21.671 -8.594 883 HZ2 LYS 100 1HZ LYS 100 1.899 22.510 -7.190 884 HZ3 LYS 100 2HZ LYS 100 0.999 21.083 -7.081 885 H GLY 101 H GLY 101 6.167 17.830 -3.917 886 HA2 GLY 101 2HA GLY 101 8.260 19.804 -4.231 887 HA3 GLY 101 3HA GLY 101 8.342 18.096 -4.641 888 H SER 102 H SER 102 9.460 20.043 -6.268 889 HA SER 102 HA SER 102 7.890 20.877 -8.449 890 HB2 SER 102 2HB SER 102 10.874 20.253 -8.373 891 HB3 SER 102 3HB SER 102 10.051 21.198 -9.620 892 HG SER 102 HG SER 102 10.913 22.627 -8.169 893 H LEU 103 H LEU 103 7.020 19.769 -10.080 894 HA LEU 103 HA LEU 103 8.019 17.057 -10.751 895 HB2 LEU 103 2HB LEU 103 5.873 16.454 -11.592 896 HB3 LEU 103 3HB LEU 103 5.631 17.122 -9.995 897 HG LEU 103 HG LEU 103 5.089 18.720 -12.541 898 HD11 LEU 103 1HD1 LEU 103 2.702 18.182 -12.254 899 HD12 LEU 103 2HD1 LEU 103 3.100 17.084 -10.930 900 HD13 LEU 103 3HD1 LEU 103 3.656 16.734 -12.568 901 HD21 LEU 103 3HD2 LEU 103 4.156 19.145 -9.685 902 HD22 LEU 103 1HD2 LEU 103 3.668 20.110 -11.083 903 HD23 LEU 103 2HD2 LEU 103 5.344 20.117 -10.553 904 H GLU 104 H GLU 104 8.628 20.016 -11.677 905 HA GLU 104 HA GLU 104 8.255 19.898 -14.532 906 HB2 GLU 104 2HB GLU 104 9.592 21.962 -14.605 907 HB3 GLU 104 3HB GLU 104 8.376 22.077 -13.343 908 HG2 GLU 104 2HG GLU 104 10.119 21.563 -11.637 909 HG3 GLU 104 3HG GLU 104 11.327 21.508 -12.921 910 H HIS 105 H HIS 105 9.582 19.045 -16.011 911 HA HIS 105 HA HIS 105 12.326 18.164 -15.284 912 HB2 HIS 105 2HB HIS 105 10.331 16.904 -17.229 913 HB3 HIS 105 3HB HIS 105 12.033 16.451 -17.149 914 HD1 HIS 105 HD1 HIS 105 12.302 14.326 -15.904 915 HD2 HIS 105 HD2 HIS 105 9.160 16.565 -14.367 916 HE1 HIS 105 HE1 HIS 105 11.362 12.969 -14.018 917 HE2 HIS 105 HE2 HIS 105 9.580 14.420 -13.009 918 H HIS 106 H HIS 106 13.961 18.726 -16.712 919 HA HIS 106 HA HIS 106 13.335 20.674 -18.837 920 HB2 HIS 106 2HB HIS 106 15.783 21.115 -18.865 921 HB3 HIS 106 3HB HIS 106 15.120 21.296 -17.248 922 HD1 HIS 106 HD1 HIS 106 17.589 19.374 -19.223 923 HD2 HIS 106 HD2 HIS 106 16.002 19.323 -15.385 924 HE1 HIS 106 HE1 HIS 106 19.096 17.880 -17.886 925 HE2 HIS 106 HE2 HIS 106 18.249 18.064 -15.525 926 H HIS 107 H HIS 107 12.508 18.023 -19.222 927 HA HIS 107 HA HIS 107 13.986 17.143 -21.615 928 HB2 HIS 107 2HB HIS 107 14.521 15.670 -19.612 929 HB3 HIS 107 3HB HIS 107 12.808 15.311 -19.452 930 HD1 HIS 107 HD1 HIS 107 15.859 14.186 -21.092 931 HD2 HIS 107 HD2 HIS 107 11.770 13.728 -21.696 932 HE1 HIS 107 HE1 HIS 107 15.615 12.203 -22.604 933 HE2 HIS 107 HE2 HIS 107 13.137 11.831 -22.779 934 H HIS 108 H HIS 108 12.529 17.603 -23.193 935 HA HIS 108 HA HIS 108 9.810 18.154 -22.632 936 HB2 HIS 108 2HB HIS 108 9.560 18.557 -25.073 937 HB3 HIS 108 3HB HIS 108 10.938 19.394 -24.382 938 HD1 HIS 108 HD1 HIS 108 10.499 15.989 -26.099 939 HD2 HIS 108 HD2 HIS 108 12.965 19.338 -26.171 940 HE1 HIS 108 HE1 HIS 108 12.177 15.554 -27.903 941 HE2 HIS 108 HE2 HIS 108 13.703 17.551 -27.870 942 H HIS 109 H HIS 109 7.957 17.109 -23.104 943 HA HIS 109 HA HIS 109 7.991 14.379 -24.240 944 HB2 HIS 109 2HB HIS 109 6.542 15.268 -21.701 945 HB3 HIS 109 3HB HIS 109 6.193 13.763 -22.543 946 HD1 HIS 109 HD1 HIS 109 7.920 14.857 -19.714 947 HD2 HIS 109 HD2 HIS 109 8.867 12.229 -22.785 948 HE1 HIS 109 HE1 HIS 109 9.706 13.359 -18.791 949 HE2 HIS 109 HE2 HIS 109 10.080 11.648 -20.591 950 H HIS 110 H HIS 110 6.375 14.002 -25.667 951 HA HIS 110 HA HIS 110 4.067 15.877 -25.820 952 HB2 HIS 110 2HB HIS 110 5.527 14.505 -28.134 953 HB3 HIS 110 3HB HIS 110 3.989 15.347 -28.295 954 HD1 HIS 110 HD1 HIS 110 6.576 16.181 -29.833 955 HD2 HIS 110 HD2 HIS 110 5.236 17.963 -26.325 956 HE1 HIS 110 HE1 HIS 110 7.567 18.485 -29.817 957 HE2 HIS 110 HE2 HIS 110 6.944 19.428 -27.575 Start of MODEL 19 1 H1 MET 1 1H MET 1 1.446 13.863 -15.265 2 H2 MET 1 2H MET 1 2.098 15.339 -14.767 3 H3 MET 1 3H MET 1 1.350 15.216 -16.281 4 HA MET 1 HA MET 1 -0.083 16.342 -14.706 5 HB2 MET 1 2HB MET 1 -2.094 15.020 -15.078 6 HB3 MET 1 3HB MET 1 -1.073 14.866 -16.497 7 HG2 MET 1 2HG MET 1 -0.416 12.625 -15.862 8 HG3 MET 1 3HG MET 1 -1.220 12.783 -14.299 9 HE1 MET 1 3HE MET 1 -3.535 10.153 -16.000 10 HE2 MET 1 1HE MET 1 -2.632 10.574 -14.545 11 HE3 MET 1 2HE MET 1 -1.775 10.244 -16.052 12 H GLY 2 H GLY 2 -1.951 15.203 -12.999 13 HA2 GLY 2 2HA GLY 2 -0.641 14.726 -10.525 14 HA3 GLY 2 3HA GLY 2 -2.342 14.467 -10.870 15 H SER 3 H SER 3 0.837 13.023 -10.964 16 HA SER 3 HA SER 3 -0.291 10.301 -10.853 17 HB2 SER 3 2HB SER 3 2.002 11.161 -12.683 18 HB3 SER 3 3HB SER 3 1.475 9.494 -12.430 19 HG SER 3 HG SER 3 -0.699 10.627 -13.092 20 H LYS 4 H LYS 4 0.201 10.168 -8.656 21 HA LYS 4 HA LYS 4 2.922 9.169 -8.308 22 HB2 LYS 4 2HB LYS 4 3.113 10.010 -5.982 23 HB3 LYS 4 3HB LYS 4 3.111 11.315 -7.154 24 HG2 LYS 4 2HG LYS 4 1.057 12.129 -6.451 25 HG3 LYS 4 3HG LYS 4 0.543 10.583 -5.789 26 HD2 LYS 4 2HD LYS 4 1.012 12.318 -4.040 27 HD3 LYS 4 3HD LYS 4 1.983 10.861 -3.850 28 HE2 LYS 4 2HE LYS 4 3.928 11.997 -4.783 29 HE3 LYS 4 3HE LYS 4 2.962 13.433 -5.140 30 HZ1 LYS 4 3HZ LYS 4 3.369 12.357 -2.400 31 HZ2 LYS 4 1HZ LYS 4 2.656 13.834 -2.823 32 HZ3 LYS 4 2HZ LYS 4 4.310 13.585 -3.076 33 H ILE 5 H ILE 5 2.911 7.237 -7.329 34 HA ILE 5 HA ILE 5 0.363 6.207 -6.261 35 HB ILE 5 HB ILE 5 1.216 3.962 -6.670 36 HG12 ILE 5 2HG1 ILE 5 3.760 5.208 -7.834 37 HG13 ILE 5 3HG1 ILE 5 3.668 4.497 -6.227 38 HG21 ILE 5 1HG2 ILE 5 1.583 5.730 -9.123 39 HG22 ILE 5 2HG2 ILE 5 0.054 5.073 -8.529 40 HG23 ILE 5 3HG2 ILE 5 1.297 3.986 -9.146 41 HD11 ILE 5 3HD1 ILE 5 4.673 2.968 -7.790 42 HD12 ILE 5 1HD1 ILE 5 3.250 3.039 -8.829 43 HD13 ILE 5 2HD1 ILE 5 3.133 2.331 -7.217 44 H ILE 6 H ILE 6 0.268 5.415 -4.223 45 HA ILE 6 HA ILE 6 2.715 5.474 -2.545 46 HB ILE 6 HB ILE 6 -0.175 5.781 -1.596 47 HG12 ILE 6 2HG1 ILE 6 0.507 7.824 -2.810 48 HG13 ILE 6 3HG1 ILE 6 0.387 8.152 -1.090 49 HG21 ILE 6 1HG2 ILE 6 0.851 6.311 0.585 50 HG22 ILE 6 2HG2 ILE 6 2.446 5.970 -0.081 51 HG23 ILE 6 3HG2 ILE 6 1.247 4.680 0.047 52 HD11 ILE 6 3HD1 ILE 6 2.275 9.278 -2.123 53 HD12 ILE 6 1HD1 ILE 6 2.947 7.727 -2.623 54 HD13 ILE 6 2HD1 ILE 6 2.817 8.121 -0.904 55 H VAL 7 H VAL 7 3.391 3.504 -2.053 56 HA VAL 7 HA VAL 7 1.558 1.190 -2.340 57 HB VAL 7 HB VAL 7 4.620 1.153 -2.356 58 HG11 VAL 7 1HG1 VAL 7 2.575 -0.996 -3.034 59 HG12 VAL 7 2HG1 VAL 7 3.630 -0.957 -1.617 60 HG13 VAL 7 3HG1 VAL 7 4.322 -1.151 -3.226 61 HG21 VAL 7 3HG2 VAL 7 3.790 2.385 -4.334 62 HG22 VAL 7 1HG2 VAL 7 2.729 1.035 -4.748 63 HG23 VAL 7 2HG2 VAL 7 4.481 0.833 -4.805 64 H ILE 8 H ILE 8 0.799 0.515 -0.434 65 HA ILE 8 HA ILE 8 2.248 1.167 2.044 66 HB ILE 8 HB ILE 8 -0.723 0.694 1.580 67 HG12 ILE 8 2HG1 ILE 8 0.946 3.169 2.182 68 HG13 ILE 8 3HG1 ILE 8 -0.067 2.873 0.780 69 HG21 ILE 8 1HG2 ILE 8 -1.068 1.229 3.971 70 HG22 ILE 8 2HG2 ILE 8 0.677 1.287 4.213 71 HG23 ILE 8 3HG2 ILE 8 -0.099 -0.234 3.774 72 HD11 ILE 8 3HD1 ILE 8 -2.048 3.041 2.209 73 HD12 ILE 8 1HD1 ILE 8 -1.062 4.500 2.216 74 HD13 ILE 8 2HD1 ILE 8 -1.007 3.397 3.589 75 H ILE 9 H ILE 9 3.122 -0.368 3.123 76 HA ILE 9 HA ILE 9 2.697 -3.206 2.527 77 HB ILE 9 HB ILE 9 4.825 -1.841 4.272 78 HG12 ILE 9 2HG1 ILE 9 6.451 -2.716 2.463 79 HG13 ILE 9 3HG1 ILE 9 5.045 -3.051 1.471 80 HG21 ILE 9 1HG2 ILE 9 4.581 -4.789 3.561 81 HG22 ILE 9 2HG2 ILE 9 4.314 -4.077 5.153 82 HG23 ILE 9 3HG2 ILE 9 5.927 -4.056 4.440 83 HD11 ILE 9 3HD1 ILE 9 5.964 -0.331 2.408 84 HD12 ILE 9 1HD1 ILE 9 4.540 -0.643 1.412 85 HD13 ILE 9 2HD1 ILE 9 6.149 -1.007 0.790 86 H SER 10 H SER 10 0.713 -3.585 3.510 87 HA SER 10 HA SER 10 0.161 -2.578 6.198 88 HB2 SER 10 2HB SER 10 -1.598 -2.329 4.480 89 HB3 SER 10 3HB SER 10 -1.635 -4.078 4.254 90 HG SER 10 HG SER 10 -3.128 -2.793 5.871 91 H SER 11 H SER 11 1.221 -3.775 7.641 92 HA SER 11 HA SER 11 1.118 -6.705 7.617 93 HB2 SER 11 2HB SER 11 2.720 -6.479 9.582 94 HB3 SER 11 3HB SER 11 3.318 -5.798 8.069 95 HG SER 11 HG SER 11 2.304 -4.438 10.340 96 H ASP 12 H ASP 12 -1.254 -6.489 7.892 97 HA ASP 12 HA ASP 12 -3.045 -7.161 9.083 98 HB2 ASP 12 2HB ASP 12 -1.680 -8.528 10.523 99 HB3 ASP 12 3HB ASP 12 -1.143 -7.134 11.445 100 H ASP 13 H ASP 13 -1.415 -4.239 10.154 101 HA ASP 13 HA ASP 13 -3.421 -3.461 12.077 102 HB2 ASP 13 2HB ASP 13 -0.942 -2.945 12.263 103 HB3 ASP 13 3HB ASP 13 -1.139 -1.772 10.965 104 H THR 14 H THR 14 -4.978 -1.894 11.923 105 HA THR 14 HA THR 14 -6.056 -1.611 9.254 106 HB THR 14 HB THR 14 -7.383 -0.873 11.893 107 HG1 THR 14 HG1 THR 14 -7.036 -3.315 10.526 108 HG21 THR 14 3HG2 THR 14 -8.567 -1.525 9.160 109 HG22 THR 14 1HG2 THR 14 -8.565 0.063 9.935 110 HG23 THR 14 2HG2 THR 14 -9.500 -1.259 10.634 111 H THR 15 H THR 15 -4.525 0.552 11.577 112 HA THR 15 HA THR 15 -5.532 3.008 10.747 113 HB THR 15 HB THR 15 -2.594 2.658 11.470 114 HG1 THR 15 HG1 THR 15 -3.202 1.816 13.282 115 HG21 THR 15 3HG2 THR 15 -3.399 4.966 10.931 116 HG22 THR 15 1HG2 THR 15 -2.887 4.808 12.616 117 HG23 THR 15 2HG2 THR 15 -4.603 4.824 12.211 118 H LEU 16 H LEU 16 -3.137 0.933 9.217 119 HA LEU 16 HA LEU 16 -2.126 2.853 7.318 120 HB2 LEU 16 2HB LEU 16 -1.957 -0.198 7.324 121 HB3 LEU 16 3HB LEU 16 -1.166 0.828 6.142 122 HG LEU 16 HG LEU 16 0.099 1.914 8.101 123 HD11 LEU 16 1HD1 LEU 16 -0.905 -0.501 9.621 124 HD12 LEU 16 2HD1 LEU 16 -1.317 1.186 9.935 125 HD13 LEU 16 3HD1 LEU 16 0.340 0.631 10.165 126 HD21 LEU 16 3HD2 LEU 16 1.814 0.168 8.178 127 HD22 LEU 16 1HD2 LEU 16 1.184 0.371 6.544 128 HD23 LEU 16 2HD2 LEU 16 0.672 -1.007 7.520 129 H GLU 17 H GLU 17 -4.821 0.701 7.449 130 HA GLU 17 HA GLU 17 -5.439 0.548 4.640 131 HB2 GLU 17 2HB GLU 17 -7.157 -0.063 7.078 132 HB3 GLU 17 3HB GLU 17 -7.488 -0.575 5.427 133 HG2 GLU 17 2HG GLU 17 -5.567 -2.052 5.432 134 HG3 GLU 17 3HG GLU 17 -5.047 -1.426 6.999 135 H GLU 18 H GLU 18 -6.761 2.341 7.437 136 HA GLU 18 HA GLU 18 -8.762 3.746 5.917 137 HB2 GLU 18 2HB GLU 18 -9.096 5.077 8.010 138 HB3 GLU 18 3HB GLU 18 -9.187 3.337 8.264 139 HG2 GLU 18 2HG GLU 18 -6.910 3.329 9.169 140 HG3 GLU 18 3HG GLU 18 -6.776 5.061 8.886 141 H LEU 19 H LEU 19 -5.471 4.485 7.018 142 HA LEU 19 HA LEU 19 -5.405 7.208 6.198 143 HB2 LEU 19 2HB LEU 19 -3.208 5.175 6.712 144 HB3 LEU 19 3HB LEU 19 -2.833 6.804 6.170 145 HG LEU 19 HG LEU 19 -4.349 6.155 8.735 146 HD11 LEU 19 1HD1 LEU 19 -2.316 6.759 9.961 147 HD12 LEU 19 2HD1 LEU 19 -1.438 6.961 8.443 148 HD13 LEU 19 3HD1 LEU 19 -2.039 5.369 8.912 149 HD21 LEU 19 3HD2 LEU 19 -3.993 8.524 9.303 150 HD22 LEU 19 1HD2 LEU 19 -4.960 8.338 7.841 151 HD23 LEU 19 2HD2 LEU 19 -3.260 8.803 7.722 152 H ALA 20 H ALA 20 -4.670 4.163 4.555 153 HA ALA 20 HA ALA 20 -3.721 5.040 2.099 154 HB1 ALA 20 3HB ALA 20 -5.583 2.700 2.629 155 HB2 ALA 20 1HB ALA 20 -3.828 2.675 2.787 156 HB3 ALA 20 2HB ALA 20 -4.566 2.912 1.201 157 H ARG 21 H ARG 21 -7.055 4.803 3.260 158 HA ARG 21 HA ARG 21 -8.383 5.515 0.852 159 HB2 ARG 21 2HB ARG 21 -9.515 4.314 2.671 160 HB3 ARG 21 3HB ARG 21 -9.294 5.679 3.758 161 HG2 ARG 21 2HG ARG 21 -10.825 7.035 2.416 162 HG3 ARG 21 3HG ARG 21 -10.990 5.732 1.239 163 HD2 ARG 21 2HD ARG 21 -12.154 4.341 2.809 164 HD3 ARG 21 3HD ARG 21 -11.753 5.411 4.158 165 HE ARG 21 HE ARG 21 -13.345 6.582 2.021 166 HH11 ARG 21 1HH1 ARG 21 -13.429 5.034 5.196 167 HH12 ARG 21 2HH1 ARG 21 -15.013 5.647 5.575 168 HH21 ARG 21 1HH2 ARG 21 -15.392 7.392 2.537 169 HH22 ARG 21 2HH2 ARG 21 -16.123 6.985 4.060 170 H LYS 22 H LYS 22 -7.170 7.413 3.619 171 HA LYS 22 HA LYS 22 -8.287 9.930 3.014 172 HB2 LYS 22 2HB LYS 22 -5.500 9.531 4.190 173 HB3 LYS 22 3HB LYS 22 -6.544 10.925 4.405 174 HG2 LYS 22 2HG LYS 22 -6.995 8.164 5.551 175 HG3 LYS 22 3HG LYS 22 -6.380 9.560 6.430 176 HD2 LYS 22 2HD LYS 22 -8.559 10.716 6.033 177 HD3 LYS 22 3HD LYS 22 -9.159 9.257 5.236 178 HE2 LYS 22 2HE LYS 22 -8.794 7.984 7.342 179 HE3 LYS 22 3HE LYS 22 -8.259 9.470 8.133 180 HZ1 LYS 22 3HZ LYS 22 -10.420 10.418 7.835 181 HZ2 LYS 22 1HZ LYS 22 -10.610 8.902 8.553 182 HZ3 LYS 22 2HZ LYS 22 -10.936 9.107 6.905 183 H ILE 23 H ILE 23 -5.243 8.430 2.027 184 HA ILE 23 HA ILE 23 -4.223 10.653 0.605 185 HB ILE 23 HB ILE 23 -3.377 7.769 0.885 186 HG12 ILE 23 2HG1 ILE 23 -1.206 8.945 1.610 187 HG13 ILE 23 3HG1 ILE 23 -2.096 10.456 1.512 188 HG21 ILE 23 1HG2 ILE 23 -2.077 9.654 -1.102 189 HG22 ILE 23 2HG2 ILE 23 -2.954 8.174 -1.491 190 HG23 ILE 23 3HG2 ILE 23 -1.437 8.088 -0.598 191 HD11 ILE 23 3HD1 ILE 23 -1.954 9.677 3.778 192 HD12 ILE 23 1HD1 ILE 23 -2.682 8.134 3.332 193 HD13 ILE 23 2HD1 ILE 23 -3.634 9.622 3.237 194 H LYS 24 H LYS 24 -5.724 7.561 -0.590 195 HA LYS 24 HA LYS 24 -5.332 8.310 -3.326 196 HB2 LYS 24 2HB LYS 24 -6.561 6.344 -3.996 197 HB3 LYS 24 3HB LYS 24 -5.387 5.951 -2.755 198 HG2 LYS 24 2HG LYS 24 -7.008 5.386 -1.187 199 HG3 LYS 24 3HG LYS 24 -8.235 6.431 -1.912 200 HD2 LYS 24 2HD LYS 24 -8.644 3.948 -2.222 201 HD3 LYS 24 3HD LYS 24 -8.619 4.887 -3.715 202 HE2 LYS 24 2HE LYS 24 -6.183 4.152 -3.981 203 HE3 LYS 24 3HE LYS 24 -6.467 3.036 -2.648 204 HZ1 LYS 24 3HZ LYS 24 -7.932 3.080 -5.230 205 HZ2 LYS 24 1HZ LYS 24 -8.246 2.023 -3.956 206 HZ3 LYS 24 2HZ LYS 24 -6.765 1.951 -4.775 207 H ASP 25 H ASP 25 -7.855 8.984 -1.086 208 HA ASP 25 HA ASP 25 -10.058 9.401 -2.777 209 HB2 ASP 25 2HB ASP 25 -10.150 9.339 -0.285 210 HB3 ASP 25 3HB ASP 25 -9.331 10.894 -0.219 211 H GLU 26 H GLU 26 -7.185 11.307 -2.266 212 HA GLU 26 HA GLU 26 -8.111 13.805 -3.313 213 HB2 GLU 26 2HB GLU 26 -5.241 12.811 -3.078 214 HB3 GLU 26 3HB GLU 26 -5.755 14.485 -3.250 215 HG2 GLU 26 2HG GLU 26 -6.235 12.675 -0.869 216 HG3 GLU 26 3HG GLU 26 -5.147 14.058 -0.944 217 H GLY 27 H GLY 27 -7.221 10.885 -4.865 218 HA2 GLY 27 2HA GLY 27 -8.146 10.789 -7.157 219 HA3 GLY 27 3HA GLY 27 -7.250 12.252 -7.513 220 H LEU 28 H LEU 28 -5.272 10.393 -5.605 221 HA LEU 28 HA LEU 28 -3.840 9.296 -7.960 222 HB2 LEU 28 2HB LEU 28 -1.889 9.099 -6.409 223 HB3 LEU 28 3HB LEU 28 -2.412 10.744 -6.688 224 HG LEU 28 HG LEU 28 -3.451 9.351 -4.215 225 HD11 LEU 28 1HD1 LEU 28 -0.654 10.501 -4.354 226 HD12 LEU 28 2HD1 LEU 28 -1.061 8.796 -4.161 227 HD13 LEU 28 3HD1 LEU 28 -1.490 9.951 -2.904 228 HD21 LEU 28 3HD2 LEU 28 -2.577 12.215 -4.734 229 HD22 LEU 28 1HD2 LEU 28 -3.341 11.603 -3.263 230 HD23 LEU 28 2HD2 LEU 28 -4.239 11.619 -4.777 231 H GLU 29 H GLU 29 -2.860 7.103 -7.783 232 HA GLU 29 HA GLU 29 -4.674 5.220 -6.535 233 HB2 GLU 29 2HB GLU 29 -3.871 4.838 -8.840 234 HB3 GLU 29 3HB GLU 29 -2.208 4.781 -8.274 235 HG2 GLU 29 2HG GLU 29 -3.018 2.530 -8.739 236 HG3 GLU 29 3HG GLU 29 -2.700 2.711 -7.017 237 H VAL 30 H VAL 30 -4.237 3.833 -4.892 238 HA VAL 30 HA VAL 30 -1.558 3.779 -3.632 239 HB VAL 30 HB VAL 30 -4.284 3.643 -2.252 240 HG11 VAL 30 1HG1 VAL 30 -1.558 3.124 -1.002 241 HG12 VAL 30 2HG1 VAL 30 -2.836 1.931 -1.240 242 HG13 VAL 30 3HG1 VAL 30 -3.082 3.268 -0.120 243 HG21 VAL 30 3HG2 VAL 30 -1.959 5.566 -1.872 244 HG22 VAL 30 1HG2 VAL 30 -3.485 5.598 -0.979 245 HG23 VAL 30 2HG2 VAL 30 -3.468 5.925 -2.714 246 H TYR 31 H TYR 31 -0.644 1.832 -3.561 247 HA TYR 31 HA TYR 31 -2.177 -0.601 -4.307 248 HB2 TYR 31 2HB TYR 31 0.824 -0.019 -4.437 249 HB3 TYR 31 3HB TYR 31 0.093 -1.567 -4.834 250 HD1 TYR 31 HD1 TYR 31 -1.579 -1.645 -6.788 251 HD2 TYR 31 HD2 TYR 31 1.048 1.661 -6.143 252 HE1 TYR 31 HE1 TYR 31 -1.852 -0.973 -9.134 253 HE2 TYR 31 HE2 TYR 31 0.765 2.327 -8.491 254 HH TYR 31 HH TYR 31 -1.648 1.132 -10.483 255 H ILE 32 H ILE 32 -2.735 -1.756 -2.532 256 HA ILE 32 HA ILE 32 -1.186 -1.537 -0.051 257 HB ILE 32 HB ILE 32 -3.777 -3.072 -0.584 258 HG12 ILE 32 2HG1 ILE 32 -4.059 -0.601 -0.892 259 HG13 ILE 32 3HG1 ILE 32 -4.972 -1.210 0.483 260 HG21 ILE 32 1HG2 ILE 32 -2.567 -3.976 1.342 261 HG22 ILE 32 2HG2 ILE 32 -4.007 -3.116 1.890 262 HG23 ILE 32 3HG2 ILE 32 -2.418 -2.364 2.046 263 HD11 ILE 32 3HD1 ILE 32 -3.924 0.924 0.946 264 HD12 ILE 32 1HD1 ILE 32 -2.333 0.239 0.629 265 HD13 ILE 32 2HD1 ILE 32 -3.286 -0.332 2.004 266 H LEU 33 H LEU 33 0.617 -2.834 -0.056 267 HA LEU 33 HA LEU 33 0.485 -5.568 -1.104 268 HB2 LEU 33 2HB LEU 33 2.803 -4.036 0.150 269 HB3 LEU 33 3HB LEU 33 2.902 -5.666 -0.506 270 HG LEU 33 HG LEU 33 2.422 -3.092 -2.039 271 HD11 LEU 33 1HD1 LEU 33 4.463 -3.666 -3.228 272 HD12 LEU 33 2HD1 LEU 33 4.639 -5.139 -2.272 273 HD13 LEU 33 3HD1 LEU 33 4.757 -3.560 -1.493 274 HD21 LEU 33 3HD2 LEU 33 2.242 -4.439 -4.087 275 HD22 LEU 33 1HD2 LEU 33 0.916 -4.753 -2.973 276 HD23 LEU 33 2HD2 LEU 33 2.235 -5.917 -3.121 277 H LEU 34 H LEU 34 -0.535 -6.909 0.174 278 HA LEU 34 HA LEU 34 -0.682 -6.471 3.042 279 HB2 LEU 34 2HB LEU 34 -2.539 -7.392 1.183 280 HB3 LEU 34 3HB LEU 34 -2.020 -8.894 1.912 281 HG LEU 34 HG LEU 34 -4.021 -8.104 3.042 282 HD11 LEU 34 1HD1 LEU 34 -1.640 -7.669 4.882 283 HD12 LEU 34 2HD1 LEU 34 -2.420 -9.209 4.525 284 HD13 LEU 34 3HD1 LEU 34 -3.307 -7.964 5.391 285 HD21 LEU 34 3HD2 LEU 34 -3.878 -5.741 2.455 286 HD22 LEU 34 1HD2 LEU 34 -2.541 -5.514 3.584 287 HD23 LEU 34 2HD2 LEU 34 -4.148 -5.931 4.185 288 H LYS 35 H LYS 35 0.723 -7.407 4.368 289 HA LYS 35 HA LYS 35 1.566 -10.187 3.858 290 HB2 LYS 35 2HB LYS 35 3.721 -9.710 5.036 291 HB3 LYS 35 3HB LYS 35 3.567 -8.890 3.492 292 HG2 LYS 35 2HG LYS 35 3.529 -6.774 4.443 293 HG3 LYS 35 3HG LYS 35 2.827 -7.343 5.961 294 HD2 LYS 35 2HD LYS 35 5.191 -6.596 6.219 295 HD3 LYS 35 3HD LYS 35 4.961 -8.286 6.659 296 HE2 LYS 35 2HE LYS 35 5.794 -8.844 4.282 297 HE3 LYS 35 3HE LYS 35 6.305 -7.157 4.184 298 HZ1 LYS 35 3HZ LYS 35 8.105 -8.606 4.929 299 HZ2 LYS 35 1HZ LYS 35 7.181 -9.108 6.257 300 HZ3 LYS 35 2HZ LYS 35 7.688 -7.502 6.136 301 H ASP 36 H ASP 36 0.867 -11.485 5.369 302 HA ASP 36 HA ASP 36 0.399 -10.551 8.128 303 HB2 ASP 36 2HB ASP 36 -1.775 -10.553 6.926 304 HB3 ASP 36 3HB ASP 36 -1.520 -12.224 6.446 305 H LYS 37 H LYS 37 0.202 -12.468 9.643 306 HA LYS 37 HA LYS 37 2.375 -14.301 9.217 307 HB2 LYS 37 2HB LYS 37 1.909 -13.410 11.468 308 HB3 LYS 37 3HB LYS 37 0.320 -14.164 11.467 309 HG2 LYS 37 2HG LYS 37 1.865 -15.470 12.839 310 HG3 LYS 37 3HG LYS 37 1.377 -16.401 11.426 311 HD2 LYS 37 2HD LYS 37 3.746 -16.746 11.797 312 HD3 LYS 37 3HD LYS 37 3.549 -15.795 10.326 313 HE2 LYS 37 2HE LYS 37 5.399 -14.928 11.671 314 HE3 LYS 37 3HE LYS 37 4.099 -13.738 11.602 315 HZ1 LYS 37 3HZ LYS 37 4.722 -15.567 13.858 316 HZ2 LYS 37 1HZ LYS 37 3.374 -14.549 13.809 317 HZ3 LYS 37 2HZ LYS 37 4.930 -13.891 13.829 318 H ASP 38 H ASP 38 -1.178 -14.565 9.217 319 HA ASP 38 HA ASP 38 -1.061 -17.478 8.819 320 HB2 ASP 38 2HB ASP 38 -2.661 -16.448 10.506 321 HB3 ASP 38 3HB ASP 38 -3.521 -15.702 9.164 322 H GLU 39 H GLU 39 -2.239 -18.425 7.060 323 HA GLU 39 HA GLU 39 -1.649 -17.120 4.555 324 HB2 GLU 39 2HB GLU 39 -2.406 -19.325 3.565 325 HB3 GLU 39 3HB GLU 39 -1.110 -19.463 4.746 326 HG2 GLU 39 2HG GLU 39 -2.852 -20.084 6.470 327 HG3 GLU 39 3HG GLU 39 -4.037 -20.130 5.170 328 H LYS 40 H LYS 40 -4.598 -18.161 6.264 329 HA LYS 40 HA LYS 40 -6.324 -17.448 4.026 330 HB2 LYS 40 2HB LYS 40 -7.052 -18.532 6.793 331 HB3 LYS 40 3HB LYS 40 -8.163 -18.350 5.438 332 HG2 LYS 40 2HG LYS 40 -5.766 -20.212 5.556 333 HG3 LYS 40 3HG LYS 40 -7.465 -20.684 5.639 334 HD2 LYS 40 2HD LYS 40 -7.833 -19.998 3.331 335 HD3 LYS 40 3HD LYS 40 -6.223 -19.285 3.232 336 HE2 LYS 40 2HE LYS 40 -6.288 -21.418 2.050 337 HE3 LYS 40 3HE LYS 40 -5.220 -21.541 3.446 338 HZ1 LYS 40 3HZ LYS 40 -6.617 -23.488 3.229 339 HZ2 LYS 40 1HZ LYS 40 -8.017 -22.538 3.297 340 HZ3 LYS 40 2HZ LYS 40 -7.006 -22.656 4.648 341 H ARG 41 H ARG 41 -5.506 -16.214 7.247 342 HA ARG 41 HA ARG 41 -7.464 -14.129 7.321 343 HB2 ARG 41 2HB ARG 41 -4.826 -14.311 8.843 344 HB3 ARG 41 3HB ARG 41 -6.163 -13.233 9.230 345 HG2 ARG 41 2HG ARG 41 -6.218 -16.265 9.369 346 HG3 ARG 41 3HG ARG 41 -6.128 -15.165 10.744 347 HD2 ARG 41 2HD ARG 41 -8.365 -14.289 10.202 348 HD3 ARG 41 3HD ARG 41 -8.442 -15.338 8.783 349 HE ARG 41 HE ARG 41 -8.084 -16.634 11.385 350 HH11 ARG 41 1HH1 ARG 41 -10.324 -15.784 8.804 351 HH12 ARG 41 2HH1 ARG 41 -11.518 -16.937 9.299 352 HH21 ARG 41 1HH2 ARG 41 -9.663 -18.183 11.988 353 HH22 ARG 41 2HH2 ARG 41 -11.145 -18.293 11.094 354 H LEU 42 H LEU 42 -4.128 -14.330 6.132 355 HA LEU 42 HA LEU 42 -3.657 -11.758 5.224 356 HB2 LEU 42 2HB LEU 42 -1.991 -13.542 5.057 357 HB3 LEU 42 3HB LEU 42 -3.011 -14.451 3.961 358 HG LEU 42 HG LEU 42 -2.663 -12.704 2.206 359 HD11 LEU 42 1HD1 LEU 42 -2.269 -10.764 3.590 360 HD12 LEU 42 2HD1 LEU 42 -0.920 -11.000 2.485 361 HD13 LEU 42 3HD1 LEU 42 -0.756 -11.447 4.187 362 HD21 LEU 42 3HD2 LEU 42 -0.343 -13.288 1.656 363 HD22 LEU 42 1HD2 LEU 42 -1.236 -14.696 2.232 364 HD23 LEU 42 2HD2 LEU 42 -0.088 -13.883 3.297 365 H GLU 43 H GLU 43 -5.314 -14.425 3.503 366 HA GLU 43 HA GLU 43 -5.747 -13.031 1.098 367 HB2 GLU 43 2HB GLU 43 -5.720 -15.502 1.231 368 HB3 GLU 43 3HB GLU 43 -7.218 -15.482 2.152 369 HG2 GLU 43 2HG GLU 43 -7.732 -16.076 -0.130 370 HG3 GLU 43 3HG GLU 43 -8.370 -14.464 0.176 371 H GLU 44 H GLU 44 -7.889 -13.500 3.920 372 HA GLU 44 HA GLU 44 -10.278 -12.491 2.713 373 HB2 GLU 44 2HB GLU 44 -9.501 -12.757 5.649 374 HB3 GLU 44 3HB GLU 44 -11.126 -12.389 5.078 375 HG2 GLU 44 2HG GLU 44 -11.346 -14.553 4.048 376 HG3 GLU 44 3HG GLU 44 -9.645 -14.924 4.331 377 H LYS 45 H LYS 45 -7.654 -11.031 4.568 378 HA LYS 45 HA LYS 45 -8.736 -8.448 4.945 379 HB2 LYS 45 2HB LYS 45 -6.748 -9.318 6.179 380 HB3 LYS 45 3HB LYS 45 -5.820 -9.310 4.691 381 HG2 LYS 45 2HG LYS 45 -5.077 -7.392 5.773 382 HG3 LYS 45 3HG LYS 45 -6.268 -6.749 4.651 383 HD2 LYS 45 2HD LYS 45 -6.898 -7.348 7.558 384 HD3 LYS 45 3HD LYS 45 -6.250 -5.805 7.025 385 HE2 LYS 45 2HE LYS 45 -8.238 -5.463 5.608 386 HE3 LYS 45 3HE LYS 45 -8.894 -7.006 6.166 387 HZ1 LYS 45 3HZ LYS 45 -9.841 -5.233 7.457 388 HZ2 LYS 45 1HZ LYS 45 -8.312 -4.609 7.831 389 HZ3 LYS 45 2HZ LYS 45 -8.791 -6.105 8.460 390 H ILE 46 H ILE 46 -6.844 -9.920 2.344 391 HA ILE 46 HA ILE 46 -6.468 -7.696 0.659 392 HB ILE 46 HB ILE 46 -6.677 -10.673 0.005 393 HG12 ILE 46 2HG1 ILE 46 -4.208 -8.897 0.276 394 HG13 ILE 46 3HG1 ILE 46 -4.787 -10.004 1.510 395 HG21 ILE 46 1HG2 ILE 46 -5.603 -10.206 -2.168 396 HG22 ILE 46 2HG2 ILE 46 -5.702 -8.475 -1.851 397 HG23 ILE 46 3HG2 ILE 46 -7.178 -9.420 -2.043 398 HD11 ILE 46 3HD1 ILE 46 -4.377 -11.886 -0.017 399 HD12 ILE 46 1HD1 ILE 46 -2.923 -10.955 0.345 400 HD13 ILE 46 2HD1 ILE 46 -3.731 -10.753 -1.208 401 H GLN 47 H GLN 47 -9.088 -10.122 0.850 402 HA GLN 47 HA GLN 47 -10.583 -9.321 -1.401 403 HB2 GLN 47 2HB GLN 47 -11.694 -10.575 1.147 404 HB3 GLN 47 3HB GLN 47 -12.457 -10.587 -0.436 405 HG2 GLN 47 2HG GLN 47 -9.979 -12.085 0.427 406 HG3 GLN 47 3HG GLN 47 -11.537 -12.765 -0.015 407 HE21 GLN 47 1HE2 GLN 47 -8.511 -11.555 -1.179 408 HE22 GLN 47 2HE2 GLN 47 -8.768 -11.918 -2.847 409 H LYS 48 H LYS 48 -10.800 -8.381 2.014 410 HA LYS 48 HA LYS 48 -13.131 -6.797 1.864 411 HB2 LYS 48 2HB LYS 48 -10.848 -6.869 3.870 412 HB3 LYS 48 3HB LYS 48 -12.240 -5.822 4.091 413 HG2 LYS 48 2HG LYS 48 -12.636 -8.794 3.722 414 HG3 LYS 48 3HG LYS 48 -12.138 -8.155 5.282 415 HD2 LYS 48 2HD LYS 48 -14.526 -8.410 5.330 416 HD3 LYS 48 3HD LYS 48 -14.178 -6.686 5.281 417 HE2 LYS 48 2HE LYS 48 -14.718 -6.670 2.862 418 HE3 LYS 48 3HE LYS 48 -15.077 -8.395 2.941 419 HZ1 LYS 48 3HZ LYS 48 -16.517 -6.244 4.401 420 HZ2 LYS 48 1HZ LYS 48 -16.843 -7.897 4.537 421 HZ3 LYS 48 2HZ LYS 48 -17.095 -7.105 3.067 422 H LEU 49 H LEU 49 -9.686 -5.901 1.765 423 HA LEU 49 HA LEU 49 -10.159 -3.096 1.593 424 HB2 LEU 49 2HB LEU 49 -7.701 -4.796 1.087 425 HB3 LEU 49 3HB LEU 49 -7.680 -3.049 0.931 426 HG LEU 49 HG LEU 49 -8.380 -4.518 3.504 427 HD11 LEU 49 1HD1 LEU 49 -5.757 -3.208 2.713 428 HD12 LEU 49 2HD1 LEU 49 -6.048 -4.936 2.934 429 HD13 LEU 49 3HD1 LEU 49 -6.155 -3.845 4.313 430 HD21 LEU 49 3HD2 LEU 49 -8.141 -2.309 4.556 431 HD22 LEU 49 1HD2 LEU 49 -9.409 -2.301 3.332 432 HD23 LEU 49 2HD2 LEU 49 -7.840 -1.576 2.978 433 H LYS 50 H LYS 50 -9.648 -5.655 -0.895 434 HA LYS 50 HA LYS 50 -9.562 -3.920 -3.137 435 HB2 LYS 50 2HB LYS 50 -10.389 -6.842 -2.894 436 HB3 LYS 50 3HB LYS 50 -10.358 -5.990 -4.433 437 HG2 LYS 50 2HG LYS 50 -7.923 -5.563 -4.134 438 HG3 LYS 50 3HG LYS 50 -7.972 -6.472 -2.622 439 HD2 LYS 50 2HD LYS 50 -7.116 -7.883 -4.446 440 HD3 LYS 50 3HD LYS 50 -8.659 -8.506 -3.857 441 HE2 LYS 50 2HE LYS 50 -9.800 -7.403 -5.784 442 HE3 LYS 50 3HE LYS 50 -8.224 -6.872 -6.379 443 HZ1 LYS 50 3HZ LYS 50 -7.562 -9.111 -6.725 444 HZ2 LYS 50 1HZ LYS 50 -9.089 -8.935 -7.430 445 HZ3 LYS 50 2HZ LYS 50 -8.929 -9.726 -5.946 446 H SER 51 H SER 51 -12.248 -5.486 -1.427 447 HA SER 51 HA SER 51 -14.391 -4.575 -2.963 448 HB2 SER 51 2HB SER 51 -14.605 -6.300 -1.202 449 HB3 SER 51 3HB SER 51 -14.301 -5.089 0.043 450 HG SER 51 HG SER 51 -16.346 -4.436 -1.690 451 H GLN 52 H GLN 52 -12.545 -2.951 -0.407 452 HA GLN 52 HA GLN 52 -14.186 -0.574 -0.311 453 HB2 GLN 52 2HB GLN 52 -11.302 -0.915 0.611 454 HB3 GLN 52 3HB GLN 52 -12.368 0.418 1.031 455 HG2 GLN 52 2HG GLN 52 -13.862 -1.257 2.183 456 HG3 GLN 52 3HG GLN 52 -12.617 -2.469 1.907 457 HE21 GLN 52 1HE2 GLN 52 -10.456 -0.412 2.400 458 HE22 GLN 52 2HE2 GLN 52 -10.430 -0.211 4.112 459 H GLY 53 H GLY 53 -11.941 -1.736 -2.565 460 HA2 GLY 53 2HA GLY 53 -11.882 -0.792 -4.742 461 HA3 GLY 53 3HA GLY 53 -12.058 0.814 -4.056 462 H PHE 54 H PHE 54 -9.784 -1.368 -2.573 463 HA PHE 54 HA PHE 54 -7.509 0.232 -3.555 464 HB2 PHE 54 2HB PHE 54 -7.702 -1.823 -1.295 465 HB3 PHE 54 3HB PHE 54 -6.232 -0.955 -1.731 466 HD1 PHE 54 HD2 PHE 54 -5.996 1.452 -1.228 467 HD2 PHE 54 HD1 PHE 54 -9.507 -0.690 -0.081 468 HE1 PHE 54 HE2 PHE 54 -6.651 3.284 0.269 469 HE2 PHE 54 HE1 PHE 54 -10.145 1.153 1.412 470 HZ PHE 54 HZ PHE 54 -8.711 3.133 1.586 471 H GLU 55 H GLU 55 -5.843 -0.641 -4.776 472 HA GLU 55 HA GLU 55 -6.143 -3.299 -5.905 473 HB2 GLU 55 2HB GLU 55 -5.331 -1.432 -7.331 474 HB3 GLU 55 3HB GLU 55 -3.920 -1.248 -6.295 475 HG2 GLU 55 2HG GLU 55 -3.375 -2.453 -8.377 476 HG3 GLU 55 3HG GLU 55 -3.100 -3.453 -6.952 477 H VAL 56 H VAL 56 -5.934 -4.664 -4.181 478 HA VAL 56 HA VAL 56 -3.543 -4.537 -2.470 479 HB VAL 56 HB VAL 56 -5.938 -6.379 -2.058 480 HG11 VAL 56 1HG1 VAL 56 -3.918 -7.007 -0.806 481 HG12 VAL 56 2HG1 VAL 56 -5.166 -6.422 0.295 482 HG13 VAL 56 3HG1 VAL 56 -3.805 -5.380 -0.126 483 HG21 VAL 56 3HG2 VAL 56 -6.730 -4.043 -2.156 484 HG22 VAL 56 1HG2 VAL 56 -5.578 -3.598 -0.894 485 HG23 VAL 56 2HG2 VAL 56 -6.885 -4.729 -0.543 486 H ARG 57 H ARG 57 -1.971 -5.945 -2.678 487 HA ARG 57 HA ARG 57 -2.243 -8.271 -4.491 488 HB2 ARG 57 2HB ARG 57 0.217 -6.494 -4.138 489 HB3 ARG 57 3HB ARG 57 0.036 -7.825 -5.271 490 HG2 ARG 57 2HG ARG 57 -1.511 -5.220 -5.356 491 HG3 ARG 57 3HG ARG 57 -0.137 -5.636 -6.372 492 HD2 ARG 57 2HD ARG 57 -2.823 -7.041 -6.351 493 HD3 ARG 57 3HD ARG 57 -2.232 -5.928 -7.590 494 HE ARG 57 HE ARG 57 -0.346 -7.952 -7.387 495 HH11 ARG 57 1HH1 ARG 57 -3.714 -7.690 -8.393 496 HH12 ARG 57 2HH1 ARG 57 -3.610 -9.031 -9.489 497 HH21 ARG 57 1HH2 ARG 57 -0.236 -9.711 -8.796 498 HH22 ARG 57 2HH2 ARG 57 -1.629 -10.176 -9.715 499 H LYS 58 H LYS 58 -1.159 -10.123 -3.868 500 HA LYS 58 HA LYS 58 -0.410 -10.355 -1.047 501 HB2 LYS 58 2HB LYS 58 -2.043 -11.964 -2.107 502 HB3 LYS 58 3HB LYS 58 -0.760 -12.522 -3.175 503 HG2 LYS 58 2HG LYS 58 0.518 -13.331 -1.238 504 HG3 LYS 58 3HG LYS 58 -0.722 -12.723 -0.146 505 HD2 LYS 58 2HD LYS 58 -1.133 -14.918 -2.211 506 HD3 LYS 58 3HD LYS 58 -0.848 -15.182 -0.495 507 HE2 LYS 58 2HE LYS 58 -3.177 -15.416 -0.736 508 HE3 LYS 58 3HE LYS 58 -2.990 -13.775 -0.114 509 HZ1 LYS 58 3HZ LYS 58 -4.588 -13.919 -1.937 510 HZ2 LYS 58 1HZ LYS 58 -3.385 -14.500 -2.971 511 HZ3 LYS 58 2HZ LYS 58 -3.290 -12.929 -2.346 512 H VAL 59 H VAL 59 1.685 -10.271 -0.507 513 HA VAL 59 HA VAL 59 3.802 -10.847 -2.504 514 HB VAL 59 HB VAL 59 5.232 -9.195 -1.179 515 HG11 VAL 59 1HG1 VAL 59 4.289 -8.599 -3.368 516 HG12 VAL 59 2HG1 VAL 59 4.341 -7.193 -2.305 517 HG13 VAL 59 3HG1 VAL 59 2.808 -8.020 -2.597 518 HG21 VAL 59 3HG2 VAL 59 2.555 -8.395 0.049 519 HG22 VAL 59 1HG2 VAL 59 4.055 -7.473 0.196 520 HG23 VAL 59 2HG2 VAL 59 3.938 -9.084 0.900 521 H LYS 60 H LYS 60 5.590 -12.015 -1.742 522 HA LYS 60 HA LYS 60 5.125 -13.872 0.367 523 HB2 LYS 60 2HB LYS 60 7.443 -14.696 -0.126 524 HB3 LYS 60 3HB LYS 60 6.421 -14.583 -1.553 525 HG2 LYS 60 2HG LYS 60 7.513 -12.468 -2.180 526 HG3 LYS 60 3HG LYS 60 8.550 -12.571 -0.759 527 HD2 LYS 60 2HD LYS 60 8.506 -14.587 -3.042 528 HD3 LYS 60 3HD LYS 60 9.682 -13.288 -2.861 529 HE2 LYS 60 2HE LYS 60 10.490 -14.291 -0.764 530 HE3 LYS 60 3HE LYS 60 9.291 -15.583 -0.912 531 HZ1 LYS 60 3HZ LYS 60 11.515 -16.225 -1.711 532 HZ2 LYS 60 1HZ LYS 60 11.426 -15.034 -2.906 533 HZ3 LYS 60 2HZ LYS 60 10.338 -16.329 -2.920 534 H ASP 61 H ASP 61 7.124 -10.952 0.105 535 HA ASP 61 HA ASP 61 7.243 -10.458 2.889 536 HB2 ASP 61 2HB ASP 61 8.820 -12.433 2.765 537 HB3 ASP 61 3HB ASP 61 9.856 -11.512 1.681 538 H ASP 62 H ASP 62 9.090 -8.703 3.302 539 HA ASP 62 HA ASP 62 8.502 -6.533 1.512 540 HB2 ASP 62 2HB ASP 62 9.805 -5.147 3.136 541 HB3 ASP 62 3HB ASP 62 8.491 -6.058 3.870 542 H ASP 63 H ASP 63 11.251 -8.648 2.053 543 HA ASP 63 HA ASP 63 13.180 -7.403 0.466 544 HB2 ASP 63 2HB ASP 63 12.580 -10.359 0.851 545 HB3 ASP 63 3HB ASP 63 13.927 -9.818 -0.143 546 H ASP 64 H ASP 64 10.383 -9.341 -0.584 547 HA ASP 64 HA ASP 64 10.918 -9.178 -3.410 548 HB2 ASP 64 2HB ASP 64 9.518 -10.986 -2.512 549 HB3 ASP 64 3HB ASP 64 8.340 -9.829 -1.909 550 H ILE 65 H ILE 65 9.022 -7.364 -1.104 551 HA ILE 65 HA ILE 65 7.507 -5.694 -2.768 552 HB ILE 65 HB ILE 65 8.609 -5.263 0.028 553 HG12 ILE 65 2HG1 ILE 65 5.813 -5.941 -1.013 554 HG13 ILE 65 3HG1 ILE 65 6.936 -7.065 -0.267 555 HG21 ILE 65 1HG2 ILE 65 6.688 -3.390 -1.386 556 HG22 ILE 65 2HG2 ILE 65 8.332 -3.015 -0.869 557 HG23 ILE 65 3HG2 ILE 65 7.084 -3.344 0.330 558 HD11 ILE 65 3HD1 ILE 65 5.264 -6.519 1.313 559 HD12 ILE 65 1HD1 ILE 65 5.485 -4.791 1.054 560 HD13 ILE 65 2HD1 ILE 65 6.752 -5.734 1.836 561 H ASP 66 H ASP 66 10.895 -5.289 -1.717 562 HA ASP 66 HA ASP 66 11.497 -2.829 -2.841 563 HB2 ASP 66 2HB ASP 66 13.083 -4.122 -1.452 564 HB3 ASP 66 3HB ASP 66 13.268 -5.310 -2.740 565 H LYS 67 H LYS 67 11.332 -5.987 -4.407 566 HA LYS 67 HA LYS 67 12.190 -5.089 -7.028 567 HB2 LYS 67 2HB LYS 67 11.029 -7.735 -6.046 568 HB3 LYS 67 3HB LYS 67 11.381 -7.435 -7.740 569 HG2 LYS 67 2HG LYS 67 13.190 -8.697 -6.846 570 HG3 LYS 67 3HG LYS 67 13.782 -7.059 -7.132 571 HD2 LYS 67 2HD LYS 67 13.596 -6.554 -4.734 572 HD3 LYS 67 3HD LYS 67 12.904 -8.150 -4.431 573 HE2 LYS 67 2HE LYS 67 15.708 -7.604 -5.459 574 HE3 LYS 67 3HE LYS 67 15.277 -8.083 -3.818 575 HZ1 LYS 67 3HZ LYS 67 14.999 -9.696 -6.292 576 HZ2 LYS 67 1HZ LYS 67 14.295 -10.136 -4.819 577 HZ3 LYS 67 2HZ LYS 67 15.975 -10.020 -4.948 578 H TRP 68 H TRP 68 9.212 -5.438 -5.284 579 HA TRP 68 HA TRP 68 7.421 -5.511 -7.505 580 HB2 TRP 68 2HB TRP 68 6.955 -6.338 -5.093 581 HB3 TRP 68 3HB TRP 68 6.678 -4.652 -4.668 582 HD1 TRP 68 HD1 TRP 68 5.101 -7.601 -6.439 583 HE1 TRP 68 HE1 TRP 68 2.693 -7.004 -7.140 584 HE3 TRP 68 HE3 TRP 68 5.129 -2.593 -5.351 585 HZ2 TRP 68 HZ2 TRP 68 1.046 -4.725 -7.232 586 HZ3 TRP 68 HZ3 TRP 68 3.091 -1.284 -5.766 587 HH2 TRP 68 HH2 TRP 68 1.090 -2.338 -6.687 588 H ILE 69 H ILE 69 8.786 -2.935 -5.482 589 HA ILE 69 HA ILE 69 7.352 -0.827 -6.860 590 HB ILE 69 HB ILE 69 9.464 -0.905 -4.692 591 HG12 ILE 69 2HG1 ILE 69 7.761 0.643 -3.561 592 HG13 ILE 69 3HG1 ILE 69 6.703 0.359 -4.931 593 HG21 ILE 69 1HG2 ILE 69 9.669 1.560 -4.675 594 HG22 ILE 69 2HG2 ILE 69 8.788 1.636 -6.201 595 HG23 ILE 69 3HG2 ILE 69 10.363 0.840 -6.130 596 HD11 ILE 69 3HD1 ILE 69 6.134 -0.993 -2.985 597 HD12 ILE 69 1HD1 ILE 69 7.720 -1.754 -3.045 598 HD13 ILE 69 2HD1 ILE 69 6.575 -1.998 -4.367 599 H ASP 70 H ASP 70 10.536 -2.374 -7.024 600 HA ASP 70 HA ASP 70 11.925 -0.592 -8.667 601 HB2 ASP 70 2HB ASP 70 13.111 -2.385 -7.536 602 HB3 ASP 70 3HB ASP 70 12.188 -3.615 -8.389 603 H LYS 71 H LYS 71 9.745 -3.254 -9.567 604 HA LYS 71 HA LYS 71 10.115 -3.112 -12.359 605 HB2 LYS 71 2HB LYS 71 7.996 -4.367 -12.575 606 HB3 LYS 71 3HB LYS 71 9.049 -5.075 -11.357 607 HG2 LYS 71 2HG LYS 71 7.701 -4.194 -9.567 608 HG3 LYS 71 3HG LYS 71 6.749 -3.226 -10.685 609 HD2 LYS 71 2HD LYS 71 5.468 -5.146 -9.919 610 HD3 LYS 71 3HD LYS 71 5.771 -5.284 -11.647 611 HE2 LYS 71 2HE LYS 71 7.542 -6.699 -9.641 612 HE3 LYS 71 3HE LYS 71 6.004 -7.394 -10.148 613 HZ1 LYS 71 3HZ LYS 71 8.246 -6.678 -11.961 614 HZ2 LYS 71 1HZ LYS 71 6.768 -7.351 -12.437 615 HZ3 LYS 71 2HZ LYS 71 7.833 -8.237 -11.465 616 H ILE 72 H ILE 72 7.886 -1.310 -10.212 617 HA ILE 72 HA ILE 72 6.361 -0.162 -12.387 618 HB ILE 72 HB ILE 72 6.410 0.750 -9.466 619 HG12 ILE 72 2HG1 ILE 72 4.523 -1.231 -10.836 620 HG13 ILE 72 3HG1 ILE 72 5.769 -1.654 -9.668 621 HG21 ILE 72 1HG2 ILE 72 5.442 2.461 -10.949 622 HG22 ILE 72 2HG2 ILE 72 4.167 1.723 -9.981 623 HG23 ILE 72 3HG2 ILE 72 4.363 1.264 -11.670 624 HD11 ILE 72 3HD1 ILE 72 3.575 -1.649 -8.656 625 HD12 ILE 72 1HD1 ILE 72 3.335 0.037 -9.110 626 HD13 ILE 72 2HD1 ILE 72 4.588 -0.395 -7.943 627 H LYS 73 H LYS 73 9.131 0.831 -10.419 628 HA LYS 73 HA LYS 73 9.489 3.484 -11.304 629 HB2 LYS 73 2HB LYS 73 11.589 1.365 -10.628 630 HB3 LYS 73 3HB LYS 73 11.917 3.090 -10.767 631 HG2 LYS 73 2HG LYS 73 10.600 3.586 -8.814 632 HG3 LYS 73 3HG LYS 73 9.958 1.945 -8.756 633 HD2 LYS 73 2HD LYS 73 11.686 2.299 -7.023 634 HD3 LYS 73 3HD LYS 73 12.179 1.062 -8.178 635 HE2 LYS 73 2HE LYS 73 13.641 2.675 -9.305 636 HE3 LYS 73 3HE LYS 73 13.099 3.950 -8.212 637 HZ1 LYS 73 3HZ LYS 73 14.058 2.700 -6.363 638 HZ2 LYS 73 1HZ LYS 73 15.227 3.070 -7.524 639 HZ3 LYS 73 2HZ LYS 73 14.596 1.502 -7.428 640 H LYS 74 H LYS 74 10.169 0.390 -12.762 641 HA LYS 74 HA LYS 74 11.809 1.324 -14.935 642 HB2 LYS 74 2HB LYS 74 11.836 -0.901 -13.554 643 HB3 LYS 74 3HB LYS 74 10.562 -1.431 -14.637 644 HG2 LYS 74 2HG LYS 74 12.040 -1.386 -16.529 645 HG3 LYS 74 3HG LYS 74 13.286 -0.522 -15.621 646 HD2 LYS 74 2HD LYS 74 12.349 -3.380 -15.129 647 HD3 LYS 74 3HD LYS 74 13.900 -2.893 -15.815 648 HE2 LYS 74 2HE LYS 74 14.554 -1.858 -13.690 649 HE3 LYS 74 3HE LYS 74 12.969 -2.204 -12.999 650 HZ1 LYS 74 3HZ LYS 74 14.524 -3.808 -12.224 651 HZ2 LYS 74 1HZ LYS 74 15.021 -4.192 -13.795 652 HZ3 LYS 74 2HZ LYS 74 13.459 -4.577 -13.280 653 H GLU 75 H GLU 75 8.437 0.270 -14.502 654 HA GLU 75 HA GLU 75 7.767 0.315 -17.318 655 HB2 GLU 75 2HB GLU 75 5.875 0.231 -14.922 656 HB3 GLU 75 3HB GLU 75 5.451 -0.114 -16.592 657 HG2 GLU 75 2HG GLU 75 7.194 -1.766 -14.765 658 HG3 GLU 75 3HG GLU 75 5.615 -2.191 -15.405 659 H ARG 76 H ARG 76 6.916 2.315 -14.496 660 HA ARG 76 HA ARG 76 6.383 4.659 -16.232 661 HB2 ARG 76 2HB ARG 76 4.864 3.953 -13.673 662 HB3 ARG 76 3HB ARG 76 4.571 5.339 -14.715 663 HG2 ARG 76 2HG ARG 76 3.890 3.765 -16.541 664 HG3 ARG 76 3HG ARG 76 4.086 2.425 -15.411 665 HD2 ARG 76 2HD ARG 76 1.732 3.030 -15.562 666 HD3 ARG 76 3HD ARG 76 2.336 3.437 -13.952 667 HE ARG 76 HE ARG 76 2.511 5.650 -15.763 668 HH11 ARG 76 1HH1 ARG 76 0.224 3.972 -13.674 669 HH12 ARG 76 2HH1 ARG 76 -0.793 5.360 -13.480 670 HH21 ARG 76 1HH2 ARG 76 1.190 7.465 -15.459 671 HH22 ARG 76 2HH2 ARG 76 -0.244 7.341 -14.492 672 HA PRO 77 HA PRO 77 9.516 6.042 -13.072 673 HB2 PRO 77 2HB PRO 77 11.245 7.286 -14.738 674 HB3 PRO 77 3HB PRO 77 11.217 5.515 -14.611 675 HG2 PRO 77 2HG PRO 77 9.995 7.261 -16.724 676 HG3 PRO 77 3HG PRO 77 10.924 5.756 -16.912 677 HD2 PRO 77 2HD PRO 77 8.154 5.868 -16.957 678 HD3 PRO 77 3HD PRO 77 9.080 4.418 -16.504 679 H GLN 78 H GLN 78 7.078 7.401 -14.716 680 HA GLN 78 HA GLN 78 7.793 10.235 -14.398 681 HB2 GLN 78 2HB GLN 78 5.721 10.606 -15.814 682 HB3 GLN 78 3HB GLN 78 7.018 9.722 -16.596 683 HG2 GLN 78 2HG GLN 78 5.056 8.614 -17.256 684 HG3 GLN 78 3HG GLN 78 5.758 7.586 -16.013 685 HE21 GLN 78 1HE2 GLN 78 3.872 10.551 -15.479 686 HE22 GLN 78 2HE2 GLN 78 2.539 9.763 -14.717 687 H LEU 79 H LEU 79 6.707 8.137 -12.273 688 HA LEU 79 HA LEU 79 4.892 10.069 -10.979 689 HB2 LEU 79 2HB LEU 79 3.634 8.048 -9.998 690 HB3 LEU 79 3HB LEU 79 3.313 8.503 -11.656 691 HG LEU 79 HG LEU 79 4.841 6.611 -12.400 692 HD11 LEU 79 1HD1 LEU 79 5.289 4.754 -10.866 693 HD12 LEU 79 2HD1 LEU 79 4.679 5.710 -9.512 694 HD13 LEU 79 3HD1 LEU 79 6.132 6.221 -10.373 695 HD21 LEU 79 3HD2 LEU 79 2.413 6.416 -12.506 696 HD22 LEU 79 1HD2 LEU 79 2.357 5.842 -10.840 697 HD23 LEU 79 2HD2 LEU 79 3.134 4.866 -12.089 698 H GLU 80 H GLU 80 4.911 10.083 -8.690 699 HA GLU 80 HA GLU 80 7.419 9.371 -7.451 700 HB2 GLU 80 2HB GLU 80 4.926 10.558 -6.184 701 HB3 GLU 80 3HB GLU 80 6.505 10.459 -5.430 702 HG2 GLU 80 2HG GLU 80 5.858 12.083 -7.906 703 HG3 GLU 80 3HG GLU 80 5.971 12.726 -6.266 704 H VAL 81 H VAL 81 7.747 7.745 -5.952 705 HA VAL 81 HA VAL 81 5.516 5.902 -5.326 706 HB VAL 81 HB VAL 81 8.377 4.928 -5.786 707 HG11 VAL 81 1HG1 VAL 81 7.301 2.701 -5.908 708 HG12 VAL 81 2HG1 VAL 81 5.726 3.440 -5.617 709 HG13 VAL 81 3HG1 VAL 81 6.976 3.503 -4.371 710 HG21 VAL 81 3HG2 VAL 81 7.596 5.843 -7.940 711 HG22 VAL 81 1HG2 VAL 81 6.146 4.842 -7.858 712 HG23 VAL 81 2HG2 VAL 81 7.736 4.087 -8.013 713 H ARG 82 H ARG 82 5.212 6.019 -3.176 714 HA ARG 82 HA ARG 82 7.550 6.210 -1.353 715 HB2 ARG 82 2HB ARG 82 6.006 8.158 -1.150 716 HB3 ARG 82 3HB ARG 82 4.668 7.065 -0.819 717 HG2 ARG 82 2HG ARG 82 5.410 8.013 1.266 718 HG3 ARG 82 3HG ARG 82 5.851 6.306 1.257 719 HD2 ARG 82 2HD ARG 82 7.664 7.624 2.184 720 HD3 ARG 82 3HD ARG 82 8.174 6.958 0.627 721 HE ARG 82 HE ARG 82 7.039 9.588 0.402 722 HH11 ARG 82 1HH1 ARG 82 10.052 7.918 1.182 723 HH12 ARG 82 2HH1 ARG 82 11.035 9.284 0.757 724 HH21 ARG 82 1HH2 ARG 82 8.345 11.340 -0.145 725 HH22 ARG 82 2HH2 ARG 82 10.073 11.216 0.006 726 H LYS 83 H LYS 83 7.942 4.415 -0.213 727 HA LYS 83 HA LYS 83 5.936 2.276 -0.021 728 HB2 LYS 83 2HB LYS 83 8.863 2.291 0.839 729 HB3 LYS 83 3HB LYS 83 7.780 0.905 0.941 730 HG2 LYS 83 2HG LYS 83 7.520 1.043 -1.574 731 HG3 LYS 83 3HG LYS 83 8.803 2.255 -1.569 732 HD2 LYS 83 2HD LYS 83 9.032 -0.633 -0.640 733 HD3 LYS 83 3HD LYS 83 9.742 0.063 -2.098 734 HE2 LYS 83 2HE LYS 83 11.111 1.581 -0.631 735 HE3 LYS 83 3HE LYS 83 10.480 0.715 0.773 736 HZ1 LYS 83 3HZ LYS 83 12.634 -0.134 0.149 737 HZ2 LYS 83 1HZ LYS 83 12.098 -0.460 -1.422 738 HZ3 LYS 83 2HZ LYS 83 11.458 -1.316 -0.117 739 H VAL 84 H VAL 84 4.698 2.165 1.690 740 HA VAL 84 HA VAL 84 5.398 3.511 4.210 741 HB VAL 84 HB VAL 84 2.775 2.373 3.156 742 HG11 VAL 84 1HG1 VAL 84 2.878 1.939 5.571 743 HG12 VAL 84 2HG1 VAL 84 1.672 3.169 5.198 744 HG13 VAL 84 3HG1 VAL 84 3.233 3.641 5.871 745 HG21 VAL 84 3HG2 VAL 84 1.999 4.712 3.191 746 HG22 VAL 84 1HG2 VAL 84 3.425 4.529 2.166 747 HG23 VAL 84 2HG2 VAL 84 3.580 5.234 3.777 748 H THR 85 H THR 85 6.951 2.063 4.890 749 HA THR 85 HA THR 85 6.485 -0.780 5.089 750 HB THR 85 HB THR 85 8.707 -0.695 6.355 751 HG1 THR 85 HG1 THR 85 9.660 1.235 6.699 752 HG21 THR 85 3HG2 THR 85 10.081 -0.099 4.381 753 HG22 THR 85 1HG2 THR 85 8.680 0.676 3.626 754 HG23 THR 85 2HG2 THR 85 8.689 -1.066 3.900 755 H ASP 86 H ASP 86 6.013 2.023 7.075 756 HA ASP 86 HA ASP 86 5.039 0.409 9.346 757 HB2 ASP 86 2HB ASP 86 7.394 1.229 9.770 758 HB3 ASP 86 3HB ASP 86 6.814 2.882 9.608 759 H GLU 87 H GLU 87 3.515 1.601 10.712 760 HA GLU 87 HA GLU 87 1.484 2.990 9.464 761 HB2 GLU 87 2HB GLU 87 1.261 1.857 11.628 762 HB3 GLU 87 3HB GLU 87 2.310 3.045 12.391 763 HG2 GLU 87 2HG GLU 87 0.563 4.798 11.813 764 HG3 GLU 87 3HG GLU 87 -0.493 3.478 11.309 765 H ASP 88 H ASP 88 4.266 4.315 11.222 766 HA ASP 88 HA ASP 88 3.676 7.040 11.277 767 HB2 ASP 88 2HB ASP 88 5.547 6.182 12.537 768 HB3 ASP 88 3HB ASP 88 6.346 5.587 11.084 769 H GLN 89 H GLN 89 5.104 5.096 8.688 770 HA GLN 89 HA GLN 89 5.644 7.221 6.869 771 HB2 GLN 89 2HB GLN 89 5.168 4.265 6.307 772 HB3 GLN 89 3HB GLN 89 5.837 5.414 5.163 773 HG2 GLN 89 2HG GLN 89 7.177 4.777 7.803 774 HG3 GLN 89 3HG GLN 89 7.488 3.871 6.325 775 HE21 GLN 89 1HE2 GLN 89 9.682 4.468 6.380 776 HE22 GLN 89 2HE2 GLN 89 10.211 6.056 5.952 777 H ALA 90 H ALA 90 2.789 5.155 7.432 778 HA ALA 90 HA ALA 90 1.193 6.152 5.294 779 HB1 ALA 90 3HB ALA 90 0.246 4.954 7.916 780 HB2 ALA 90 1HB ALA 90 0.631 4.051 6.451 781 HB3 ALA 90 2HB ALA 90 -0.733 5.174 6.460 782 H LYS 91 H LYS 91 1.939 7.397 8.432 783 HA LYS 91 HA LYS 91 0.050 9.593 8.305 784 HB2 LYS 91 2HB LYS 91 2.424 9.102 10.150 785 HB3 LYS 91 3HB LYS 91 1.181 10.334 10.385 786 HG2 LYS 91 2HG LYS 91 -0.522 8.686 10.787 787 HG3 LYS 91 3HG LYS 91 0.516 7.380 10.214 788 HD2 LYS 91 2HD LYS 91 0.366 7.281 12.632 789 HD3 LYS 91 3HD LYS 91 2.008 7.726 12.170 790 HE2 LYS 91 2HE LYS 91 1.433 10.116 12.652 791 HE3 LYS 91 3HE LYS 91 -0.153 9.582 13.215 792 HZ1 LYS 91 3HZ LYS 91 0.927 8.244 14.909 793 HZ2 LYS 91 1HZ LYS 91 1.389 9.864 15.054 794 HZ3 LYS 91 2HZ LYS 91 2.451 8.734 14.376 795 H GLN 92 H GLN 92 3.385 9.017 7.287 796 HA GLN 92 HA GLN 92 4.122 11.783 6.985 797 HB2 GLN 92 2HB GLN 92 5.421 9.284 5.806 798 HB3 GLN 92 3HB GLN 92 6.084 10.906 5.664 799 HG2 GLN 92 2HG GLN 92 5.814 9.229 8.153 800 HG3 GLN 92 3HG GLN 92 7.286 9.845 7.411 801 HE21 GLN 92 1HE2 GLN 92 4.634 10.549 9.522 802 HE22 GLN 92 2HE2 GLN 92 5.167 12.115 10.027 803 H ILE 93 H ILE 93 2.944 9.278 4.737 804 HA ILE 93 HA ILE 93 3.055 10.732 2.380 805 HB ILE 93 HB ILE 93 1.236 9.210 1.507 806 HG12 ILE 93 2HG1 ILE 93 1.297 8.134 4.356 807 HG13 ILE 93 3HG1 ILE 93 -0.051 8.967 3.597 808 HG21 ILE 93 1HG2 ILE 93 2.612 7.167 1.687 809 HG22 ILE 93 2HG2 ILE 93 3.528 7.896 3.005 810 HG23 ILE 93 3HG2 ILE 93 3.600 8.594 1.385 811 HD11 ILE 93 3HD1 ILE 93 -0.307 7.108 2.025 812 HD12 ILE 93 1HD1 ILE 93 -0.443 6.590 3.704 813 HD13 ILE 93 2HD1 ILE 93 1.037 6.268 2.804 814 H LEU 94 H LEU 94 0.580 10.936 4.878 815 HA LEU 94 HA LEU 94 -1.250 12.675 3.723 816 HB2 LEU 94 2HB LEU 94 -0.111 12.695 6.544 817 HB3 LEU 94 3HB LEU 94 -1.477 13.686 6.069 818 HG LEU 94 HG LEU 94 -1.464 10.641 5.939 819 HD11 LEU 94 1HD1 LEU 94 -2.848 10.668 7.943 820 HD12 LEU 94 2HD1 LEU 94 -2.696 12.422 8.057 821 HD13 LEU 94 3HD1 LEU 94 -1.276 11.394 8.262 822 HD21 LEU 94 3HD2 LEU 94 -3.030 11.694 4.360 823 HD22 LEU 94 1HD2 LEU 94 -3.757 12.619 5.675 824 HD23 LEU 94 2HD2 LEU 94 -3.894 10.858 5.647 825 H GLU 95 H GLU 95 1.968 13.428 5.065 826 HA GLU 95 HA GLU 95 1.879 16.209 4.312 827 HB2 GLU 95 2HB GLU 95 4.235 14.554 5.304 828 HB3 GLU 95 3HB GLU 95 4.231 16.299 5.102 829 HG2 GLU 95 2HG GLU 95 2.641 14.683 7.104 830 HG3 GLU 95 3HG GLU 95 3.945 15.824 7.431 831 H ASP 96 H ASP 96 2.959 13.270 2.767 832 HA ASP 96 HA ASP 96 4.812 14.347 0.870 833 HB2 ASP 96 2HB ASP 96 3.188 11.793 0.955 834 HB3 ASP 96 3HB ASP 96 3.913 12.241 -0.577 835 H LEU 97 H LEU 97 1.318 13.911 0.848 836 HA LEU 97 HA LEU 97 0.865 14.693 -1.857 837 HB2 LEU 97 2HB LEU 97 -0.872 14.240 0.561 838 HB3 LEU 97 3HB LEU 97 -1.565 15.094 -0.805 839 HG LEU 97 HG LEU 97 -1.218 13.173 -2.273 840 HD11 LEU 97 1HD1 LEU 97 0.860 12.254 -1.346 841 HD12 LEU 97 2HD1 LEU 97 -0.381 11.016 -1.522 842 HD13 LEU 97 3HD1 LEU 97 -0.020 11.678 0.075 843 HD21 LEU 97 3HD2 LEU 97 -3.289 13.311 -0.992 844 HD22 LEU 97 1HD2 LEU 97 -2.562 12.385 0.325 845 HD23 LEU 97 2HD2 LEU 97 -2.826 11.632 -1.251 846 H LYS 98 H LYS 98 0.968 16.546 1.191 847 HA LYS 98 HA LYS 98 -0.228 18.882 -0.032 848 HB2 LYS 98 2HB LYS 98 -0.000 19.973 2.161 849 HB3 LYS 98 3HB LYS 98 -0.884 18.465 2.209 850 HG2 LYS 98 2HG LYS 98 0.401 18.342 4.123 851 HG3 LYS 98 3HG LYS 98 1.352 17.418 2.961 852 HD2 LYS 98 2HD LYS 98 2.876 18.784 4.129 853 HD3 LYS 98 3HD LYS 98 2.716 19.532 2.563 854 HE2 LYS 98 2HE LYS 98 2.733 21.245 4.295 855 HE3 LYS 98 3HE LYS 98 1.128 21.187 3.561 856 HZ1 LYS 98 3HZ LYS 98 0.368 19.878 5.449 857 HZ2 LYS 98 1HZ LYS 98 1.025 21.346 5.977 858 HZ3 LYS 98 2HZ LYS 98 1.913 19.913 6.134 859 H LYS 99 H LYS 99 2.985 17.877 0.884 860 HA LYS 99 HA LYS 99 4.279 20.352 0.218 861 HB2 LYS 99 2HB LYS 99 6.397 19.196 0.409 862 HB3 LYS 99 3HB LYS 99 5.350 18.650 1.710 863 HG2 LYS 99 2HG LYS 99 4.884 16.565 0.448 864 HG3 LYS 99 3HG LYS 99 5.948 17.123 -0.841 865 HD2 LYS 99 2HD LYS 99 7.126 15.512 0.563 866 HD3 LYS 99 3HD LYS 99 7.865 17.102 0.738 867 HE2 LYS 99 2HE LYS 99 6.602 17.406 2.869 868 HE3 LYS 99 3HE LYS 99 5.961 15.773 2.691 869 HZ1 LYS 99 3HZ LYS 99 8.201 14.907 2.804 870 HZ2 LYS 99 1HZ LYS 99 7.873 15.842 4.171 871 HZ3 LYS 99 2HZ LYS 99 8.840 16.464 2.929 872 H LYS 100 H LYS 100 3.232 17.573 -1.651 873 HA LYS 100 HA LYS 100 3.620 18.915 -4.151 874 HB2 LYS 100 2HB LYS 100 5.127 17.178 -5.183 875 HB3 LYS 100 3HB LYS 100 5.915 18.169 -3.963 876 HG2 LYS 100 2HG LYS 100 5.612 16.308 -2.311 877 HG3 LYS 100 3HG LYS 100 4.942 15.310 -3.600 878 HD2 LYS 100 2HD LYS 100 7.751 16.481 -3.553 879 HD3 LYS 100 3HD LYS 100 7.332 14.812 -3.165 880 HE2 LYS 100 2HE LYS 100 6.561 14.431 -5.443 881 HE3 LYS 100 3HE LYS 100 6.829 16.129 -5.850 882 HZ1 LYS 100 3HZ LYS 100 8.632 14.790 -6.642 883 HZ2 LYS 100 1HZ LYS 100 8.914 14.148 -5.103 884 HZ3 LYS 100 2HZ LYS 100 9.198 15.788 -5.404 885 H GLY 101 H GLY 101 1.689 18.463 -5.065 886 HA2 GLY 101 2HA GLY 101 0.204 16.052 -4.808 887 HA3 GLY 101 3HA GLY 101 0.012 17.257 -6.082 888 H SER 102 H SER 102 1.804 17.276 -7.735 889 HA SER 102 HA SER 102 3.577 14.992 -7.968 890 HB2 SER 102 2HB SER 102 1.467 15.518 -10.112 891 HB3 SER 102 3HB SER 102 2.837 14.424 -10.310 892 HG SER 102 HG SER 102 1.841 13.498 -8.214 893 H LEU 103 H LEU 103 2.738 18.215 -8.572 894 HA LEU 103 HA LEU 103 4.905 18.691 -10.524 895 HB2 LEU 103 2HB LEU 103 2.447 20.384 -9.864 896 HB3 LEU 103 3HB LEU 103 3.745 20.893 -10.926 897 HG LEU 103 HG LEU 103 3.149 18.861 -12.409 898 HD11 LEU 103 1HD1 LEU 103 0.600 18.872 -10.771 899 HD12 LEU 103 2HD1 LEU 103 1.805 17.584 -10.824 900 HD13 LEU 103 3HD1 LEU 103 0.875 17.974 -12.268 901 HD21 LEU 103 3HD2 LEU 103 2.651 21.146 -13.073 902 HD22 LEU 103 1HD2 LEU 103 1.145 21.123 -12.150 903 HD23 LEU 103 2HD2 LEU 103 1.341 20.074 -13.555 904 H GLU 104 H GLU 104 6.178 18.332 -8.511 905 HA GLU 104 HA GLU 104 6.372 20.361 -6.518 906 HB2 GLU 104 2HB GLU 104 8.374 19.258 -5.746 907 HB3 GLU 104 3HB GLU 104 7.213 18.016 -6.175 908 HG2 GLU 104 2HG GLU 104 9.523 18.851 -7.957 909 HG3 GLU 104 3HG GLU 104 9.610 17.539 -6.789 910 H HIS 105 H HIS 105 7.830 22.047 -6.304 911 HA HIS 105 HA HIS 105 9.184 23.056 -8.707 912 HB2 HIS 105 2HB HIS 105 7.736 24.514 -7.168 913 HB3 HIS 105 3HB HIS 105 8.997 24.367 -5.953 914 HD1 HIS 105 HD1 HIS 105 8.487 25.730 -9.475 915 HD2 HIS 105 HD2 HIS 105 10.964 26.272 -6.180 916 HE1 HIS 105 HE1 HIS 105 9.825 27.798 -9.961 917 HE2 HIS 105 HE2 HIS 105 11.473 27.948 -8.072 918 H HIS 106 H HIS 106 10.027 20.691 -6.894 919 HA HIS 106 HA HIS 106 12.778 21.525 -6.234 920 HB2 HIS 106 2HB HIS 106 11.130 19.155 -5.256 921 HB3 HIS 106 3HB HIS 106 12.833 19.391 -4.878 922 HD1 HIS 106 HD1 HIS 106 10.229 19.422 -2.890 923 HD2 HIS 106 HD2 HIS 106 12.592 22.626 -4.090 924 HE1 HIS 106 HE1 HIS 106 10.005 21.158 -1.079 925 HE2 HIS 106 HE2 HIS 106 11.593 22.981 -1.741 926 H HIS 107 H HIS 107 11.035 19.834 -8.643 927 HA HIS 107 HA HIS 107 12.850 17.731 -9.217 928 HB2 HIS 107 2HB HIS 107 11.771 17.537 -11.434 929 HB3 HIS 107 3HB HIS 107 10.585 17.648 -10.148 930 HD1 HIS 107 HD1 HIS 107 8.631 18.925 -10.927 931 HD2 HIS 107 HD2 HIS 107 12.125 20.426 -12.584 932 HE1 HIS 107 HE1 HIS 107 7.916 20.802 -12.416 933 HE2 HIS 107 HE2 HIS 107 10.059 21.824 -13.230 934 H HIS 108 H HIS 108 14.423 17.575 -10.963 935 HA HIS 108 HA HIS 108 16.326 19.653 -10.469 936 HB2 HIS 108 2HB HIS 108 16.667 17.322 -12.401 937 HB3 HIS 108 3HB HIS 108 17.932 18.212 -11.554 938 HD1 HIS 108 HD1 HIS 108 15.996 15.191 -11.356 939 HD2 HIS 108 HD2 HIS 108 17.735 17.755 -8.582 940 HE1 HIS 108 HE1 HIS 108 16.099 13.889 -9.211 941 HE2 HIS 108 HE2 HIS 108 17.004 15.515 -7.520 942 H HIS 109 H HIS 109 17.111 21.223 -11.773 943 HA HIS 109 HA HIS 109 15.571 21.966 -14.141 944 HB2 HIS 109 2HB HIS 109 17.785 23.470 -12.657 945 HB3 HIS 109 3HB HIS 109 16.839 24.124 -13.991 946 HD1 HIS 109 HD1 HIS 109 16.877 23.927 -10.357 947 HD2 HIS 109 HD2 HIS 109 13.963 24.324 -13.299 948 HE1 HIS 109 HE1 HIS 109 14.847 24.842 -9.190 949 HE2 HIS 109 HE2 HIS 109 13.093 25.019 -10.976 950 H HIS 110 H HIS 110 16.544 19.948 -15.190 951 HA HIS 110 HA HIS 110 18.647 20.844 -17.027 952 HB2 HIS 110 2HB HIS 110 18.743 18.206 -15.487 953 HB3 HIS 110 3HB HIS 110 19.598 18.425 -17.010 954 HD1 HIS 110 HD1 HIS 110 20.350 18.396 -13.606 955 HD2 HIS 110 HD2 HIS 110 21.289 21.018 -16.691 956 HE1 HIS 110 HE1 HIS 110 22.379 19.669 -12.825 957 HE2 HIS 110 HE2 HIS 110 22.992 21.155 -14.763 Start of MODEL 20 1 H1 MET 1 1H MET 1 -0.528 14.272 -17.880 2 H2 MET 1 2H MET 1 0.085 15.182 -16.599 3 H3 MET 1 3H MET 1 -1.013 13.936 -16.293 4 HA MET 1 HA MET 1 0.537 12.290 -16.983 5 HB2 MET 1 2HB MET 1 2.385 14.650 -17.567 6 HB3 MET 1 3HB MET 1 2.915 12.969 -17.545 7 HG2 MET 1 2HG MET 1 2.565 13.645 -19.829 8 HG3 MET 1 3HG MET 1 1.312 12.483 -19.390 9 HE1 MET 1 3HE MET 1 -0.616 14.846 -21.867 10 HE2 MET 1 1HE MET 1 -0.215 13.174 -21.477 11 HE3 MET 1 2HE MET 1 1.052 14.289 -21.993 12 H GLY 2 H GLY 2 -0.323 14.006 -14.604 13 HA2 GLY 2 2HA GLY 2 1.940 13.834 -12.769 14 HA3 GLY 2 3HA GLY 2 0.312 14.384 -12.403 15 H SER 3 H SER 3 1.756 11.364 -13.641 16 HA SER 3 HA SER 3 -0.126 9.702 -12.193 17 HB2 SER 3 2HB SER 3 2.389 8.833 -13.689 18 HB3 SER 3 3HB SER 3 0.958 7.862 -13.343 19 HG SER 3 HG SER 3 -0.208 9.354 -14.709 20 H LYS 4 H LYS 4 0.225 8.761 -10.222 21 HA LYS 4 HA LYS 4 2.809 8.268 -9.086 22 HB2 LYS 4 2HB LYS 4 2.865 10.608 -8.574 23 HB3 LYS 4 3HB LYS 4 1.175 10.636 -8.092 24 HG2 LYS 4 2HG LYS 4 1.679 9.438 -6.032 25 HG3 LYS 4 3HG LYS 4 3.357 9.201 -6.531 26 HD2 LYS 4 2HD LYS 4 2.911 11.071 -4.824 27 HD3 LYS 4 3HD LYS 4 3.889 11.498 -6.230 28 HE2 LYS 4 2HE LYS 4 2.177 13.229 -5.606 29 HE3 LYS 4 3HE LYS 4 2.031 12.650 -7.262 30 HZ1 LYS 4 3HZ LYS 4 0.347 11.780 -4.971 31 HZ2 LYS 4 1HZ LYS 4 0.192 11.242 -6.568 32 HZ3 LYS 4 2HZ LYS 4 -0.116 12.857 -6.186 33 H ILE 5 H ILE 5 2.624 6.611 -7.711 34 HA ILE 5 HA ILE 5 0.003 5.958 -6.496 35 HB ILE 5 HB ILE 5 0.613 3.547 -6.654 36 HG12 ILE 5 2HG1 ILE 5 2.992 4.462 -8.347 37 HG13 ILE 5 3HG1 ILE 5 3.104 3.816 -6.714 38 HG21 ILE 5 1HG2 ILE 5 -0.809 4.534 -8.398 39 HG22 ILE 5 2HG2 ILE 5 0.204 3.258 -9.072 40 HG23 ILE 5 3HG2 ILE 5 0.621 4.951 -9.351 41 HD11 ILE 5 3HD1 ILE 5 2.155 2.319 -9.157 42 HD12 ILE 5 1HD1 ILE 5 2.214 1.672 -7.513 43 HD13 ILE 5 2HD1 ILE 5 3.703 2.141 -8.331 44 H ILE 6 H ILE 6 0.024 5.138 -4.417 45 HA ILE 6 HA ILE 6 2.574 5.265 -2.898 46 HB ILE 6 HB ILE 6 -0.265 5.714 -1.874 47 HG12 ILE 6 2HG1 ILE 6 0.657 7.680 -3.077 48 HG13 ILE 6 3HG1 ILE 6 0.465 8.017 -1.363 49 HG21 ILE 6 1HG2 ILE 6 0.773 6.171 0.339 50 HG22 ILE 6 2HG2 ILE 6 2.341 5.679 -0.308 51 HG23 ILE 6 3HG2 ILE 6 1.030 4.505 -0.183 52 HD11 ILE 6 3HD1 ILE 6 2.505 8.980 -2.214 53 HD12 ILE 6 1HD1 ILE 6 3.057 7.407 -2.785 54 HD13 ILE 6 2HD1 ILE 6 2.893 7.712 -1.052 55 H VAL 7 H VAL 7 3.278 3.363 -2.296 56 HA VAL 7 HA VAL 7 1.480 1.013 -2.259 57 HB VAL 7 HB VAL 7 4.532 1.104 -2.422 58 HG11 VAL 7 1HG1 VAL 7 2.628 -1.264 -2.498 59 HG12 VAL 7 2HG1 VAL 7 3.782 -0.885 -1.214 60 HG13 VAL 7 3HG1 VAL 7 4.362 -1.347 -2.815 61 HG21 VAL 7 3HG2 VAL 7 4.260 0.281 -4.734 62 HG22 VAL 7 1HG2 VAL 7 3.457 1.842 -4.533 63 HG23 VAL 7 2HG2 VAL 7 2.504 0.356 -4.570 64 H ILE 8 H ILE 8 0.830 0.419 -0.317 65 HA ILE 8 HA ILE 8 2.380 1.140 2.098 66 HB ILE 8 HB ILE 8 -0.619 0.624 1.808 67 HG12 ILE 8 2HG1 ILE 8 0.917 3.205 2.359 68 HG13 ILE 8 3HG1 ILE 8 0.056 2.811 0.877 69 HG21 ILE 8 1HG2 ILE 8 -0.783 1.268 4.199 70 HG22 ILE 8 2HG2 ILE 8 0.976 1.373 4.287 71 HG23 ILE 8 3HG2 ILE 8 0.199 -0.182 3.982 72 HD11 ILE 8 3HD1 ILE 8 -1.173 3.276 3.587 73 HD12 ILE 8 1HD1 ILE 8 -2.051 2.809 2.128 74 HD13 ILE 8 2HD1 ILE 8 -1.206 4.347 2.192 75 H ILE 9 H ILE 9 3.036 -0.447 3.323 76 HA ILE 9 HA ILE 9 2.667 -3.238 2.525 77 HB ILE 9 HB ILE 9 4.676 -1.882 4.379 78 HG12 ILE 9 2HG1 ILE 9 6.361 -2.881 2.760 79 HG13 ILE 9 3HG1 ILE 9 5.024 -3.422 1.760 80 HG21 ILE 9 1HG2 ILE 9 4.081 -4.005 5.450 81 HG22 ILE 9 2HG2 ILE 9 5.715 -4.100 4.789 82 HG23 ILE 9 3HG2 ILE 9 4.374 -4.874 3.941 83 HD11 ILE 9 3HD1 ILE 9 4.417 -1.085 1.329 84 HD12 ILE 9 1HD1 ILE 9 6.085 -1.424 0.866 85 HD13 ILE 9 2HD1 ILE 9 5.746 -0.553 2.361 86 H SER 10 H SER 10 0.650 -3.647 3.223 87 HA SER 10 HA SER 10 -0.375 -2.745 5.769 88 HB2 SER 10 2HB SER 10 -1.730 -2.660 3.679 89 HB3 SER 10 3HB SER 10 -1.667 -4.421 3.578 90 HG SER 10 HG SER 10 -3.269 -2.827 5.060 91 H SER 11 H SER 11 0.462 -3.857 7.371 92 HA SER 11 HA SER 11 0.548 -6.788 7.453 93 HB2 SER 11 2HB SER 11 1.546 -4.739 9.486 94 HB3 SER 11 3HB SER 11 1.956 -6.455 9.420 95 HG SER 11 HG SER 11 2.488 -5.035 7.105 96 H ASP 12 H ASP 12 0.147 -7.028 10.295 97 HA ASP 12 HA ASP 12 -2.652 -7.237 10.531 98 HB2 ASP 12 2HB ASP 12 -1.048 -8.657 11.786 99 HB3 ASP 12 3HB ASP 12 -0.514 -7.260 12.709 100 H ASP 13 H ASP 13 -0.492 -4.570 11.241 101 HA ASP 13 HA ASP 13 -2.261 -3.007 12.856 102 HB2 ASP 13 2HB ASP 13 0.027 -2.061 11.064 103 HB3 ASP 13 3HB ASP 13 -0.787 -1.080 12.281 104 H THR 14 H THR 14 -4.215 -2.425 12.131 105 HA THR 14 HA THR 14 -4.858 -2.144 9.337 106 HB THR 14 HB THR 14 -6.563 -1.686 11.808 107 HG1 THR 14 HG1 THR 14 -6.075 -3.934 10.129 108 HG21 THR 14 3HG2 THR 14 -7.399 -2.116 8.913 109 HG22 THR 14 1HG2 THR 14 -7.577 -0.609 9.820 110 HG23 THR 14 2HG2 THR 14 -8.500 -2.034 10.288 111 H THR 15 H THR 15 -3.653 0.062 11.688 112 HA THR 15 HA THR 15 -4.580 2.512 10.883 113 HB THR 15 HB THR 15 -1.596 2.162 11.346 114 HG1 THR 15 HG1 THR 15 -1.964 1.845 13.529 115 HG21 THR 15 3HG2 THR 15 -2.487 4.455 11.013 116 HG22 THR 15 1HG2 THR 15 -1.911 4.242 12.676 117 HG23 THR 15 2HG2 THR 15 -3.637 4.216 12.325 118 H LEU 16 H LEU 16 -2.434 0.362 9.198 119 HA LEU 16 HA LEU 16 -1.390 2.131 7.196 120 HB2 LEU 16 2HB LEU 16 -1.674 -0.900 7.287 121 HB3 LEU 16 3HB LEU 16 -0.658 -0.023 6.154 122 HG LEU 16 HG LEU 16 -0.204 0.313 9.136 123 HD11 LEU 16 1HD1 LEU 16 -0.234 -2.094 8.806 124 HD12 LEU 16 2HD1 LEU 16 1.400 -1.518 9.153 125 HD13 LEU 16 3HD1 LEU 16 0.952 -1.954 7.499 126 HD21 LEU 16 3HD2 LEU 16 1.682 0.492 6.762 127 HD22 LEU 16 1HD2 LEU 16 2.103 0.791 8.452 128 HD23 LEU 16 2HD2 LEU 16 0.965 1.853 7.628 129 H GLU 17 H GLU 17 -4.291 0.282 7.572 130 HA GLU 17 HA GLU 17 -5.108 0.228 4.780 131 HB2 GLU 17 2HB GLU 17 -6.576 -0.644 7.312 132 HB3 GLU 17 3HB GLU 17 -7.044 -1.038 5.658 133 HG2 GLU 17 2HG GLU 17 -5.067 -2.404 5.355 134 HG3 GLU 17 3HG GLU 17 -4.414 -1.875 6.904 135 H GLU 18 H GLU 18 -6.015 1.920 7.790 136 HA GLU 18 HA GLU 18 -8.364 3.175 6.686 137 HB2 GLU 18 2HB GLU 18 -8.508 4.373 8.825 138 HB3 GLU 18 3HB GLU 18 -8.202 2.662 9.100 139 HG2 GLU 18 2HG GLU 18 -5.813 3.153 9.508 140 HG3 GLU 18 3HG GLU 18 -6.117 4.864 9.232 141 H LEU 19 H LEU 19 -4.981 4.128 7.222 142 HA LEU 19 HA LEU 19 -5.353 6.889 6.473 143 HB2 LEU 19 2HB LEU 19 -2.797 5.256 6.681 144 HB3 LEU 19 3HB LEU 19 -2.871 7.007 6.513 145 HG LEU 19 HG LEU 19 -3.921 5.414 8.889 146 HD11 LEU 19 1HD1 LEU 19 -2.080 6.430 10.150 147 HD12 LEU 19 2HD1 LEU 19 -1.463 7.164 8.667 148 HD13 LEU 19 3HD1 LEU 19 -1.501 5.406 8.838 149 HD21 LEU 19 3HD2 LEU 19 -5.283 7.402 8.547 150 HD22 LEU 19 1HD2 LEU 19 -3.841 8.419 8.489 151 HD23 LEU 19 2HD2 LEU 19 -4.281 7.587 9.982 152 H ALA 20 H ALA 20 -4.707 3.930 4.762 153 HA ALA 20 HA ALA 20 -3.847 4.877 2.265 154 HB1 ALA 20 3HB ALA 20 -4.757 2.772 1.369 155 HB2 ALA 20 1HB ALA 20 -5.660 2.515 2.867 156 HB3 ALA 20 2HB ALA 20 -3.897 2.488 2.883 157 H ARG 21 H ARG 21 -7.048 4.585 3.697 158 HA ARG 21 HA ARG 21 -8.623 5.336 1.456 159 HB2 ARG 21 2HB ARG 21 -9.471 4.041 3.376 160 HB3 ARG 21 3HB ARG 21 -9.212 5.413 4.443 161 HG2 ARG 21 2HG ARG 21 -11.010 6.653 3.407 162 HG3 ARG 21 3HG ARG 21 -11.161 5.458 2.112 163 HD2 ARG 21 2HD ARG 21 -12.941 5.231 3.848 164 HD3 ARG 21 3HD ARG 21 -11.951 3.775 3.692 165 HE ARG 21 HE ARG 21 -11.350 5.757 5.797 166 HH11 ARG 21 1HH1 ARG 21 -12.357 2.486 4.973 167 HH12 ARG 21 2HH1 ARG 21 -12.160 1.895 6.590 168 HH21 ARG 21 1HH2 ARG 21 -11.056 4.955 7.895 169 HH22 ARG 21 2HH2 ARG 21 -11.419 3.301 8.250 170 H LYS 22 H LYS 22 -6.914 7.163 3.918 171 HA LYS 22 HA LYS 22 -8.083 9.728 3.350 172 HB2 LYS 22 2HB LYS 22 -5.429 8.997 4.668 173 HB3 LYS 22 3HB LYS 22 -6.112 10.619 4.632 174 HG2 LYS 22 2HG LYS 22 -7.352 8.211 5.999 175 HG3 LYS 22 3HG LYS 22 -6.465 9.513 6.801 176 HD2 LYS 22 2HD LYS 22 -8.207 11.133 5.945 177 HD3 LYS 22 3HD LYS 22 -9.114 9.754 5.316 178 HE2 LYS 22 2HE LYS 22 -9.264 8.855 7.648 179 HE3 LYS 22 3HE LYS 22 -8.463 10.317 8.227 180 HZ1 LYS 22 3HZ LYS 22 -10.904 10.396 8.400 181 HZ2 LYS 22 1HZ LYS 22 -11.013 10.290 6.714 182 HZ3 LYS 22 2HZ LYS 22 -10.282 11.634 7.428 183 H ILE 23 H ILE 23 -5.175 7.995 2.258 184 HA ILE 23 HA ILE 23 -3.929 10.062 0.785 185 HB ILE 23 HB ILE 23 -3.685 7.039 0.504 186 HG12 ILE 23 2HG1 ILE 23 -1.815 8.961 1.963 187 HG13 ILE 23 3HG1 ILE 23 -3.109 8.083 2.766 188 HG21 ILE 23 1HG2 ILE 23 -1.809 9.180 -0.572 189 HG22 ILE 23 2HG2 ILE 23 -2.859 8.147 -1.543 190 HG23 ILE 23 3HG2 ILE 23 -1.526 7.439 -0.631 191 HD11 ILE 23 3HD1 ILE 23 -1.025 6.978 3.121 192 HD12 ILE 23 1HD1 ILE 23 -0.722 6.879 1.386 193 HD13 ILE 23 2HD1 ILE 23 -2.054 5.968 2.107 194 H LYS 24 H LYS 24 -5.995 7.336 -0.341 195 HA LYS 24 HA LYS 24 -5.797 7.793 -3.090 196 HB2 LYS 24 2HB LYS 24 -7.815 6.413 -3.338 197 HB3 LYS 24 3HB LYS 24 -6.717 5.715 -2.151 198 HG2 LYS 24 2HG LYS 24 -8.094 6.515 -0.314 199 HG3 LYS 24 3HG LYS 24 -9.152 7.384 -1.428 200 HD2 LYS 24 2HD LYS 24 -8.804 4.360 -1.348 201 HD3 LYS 24 3HD LYS 24 -10.144 5.248 -0.625 202 HE2 LYS 24 2HE LYS 24 -10.804 6.067 -2.867 203 HE3 LYS 24 3HE LYS 24 -9.473 5.158 -3.588 204 HZ1 LYS 24 3HZ LYS 24 -10.482 3.121 -2.774 205 HZ2 LYS 24 1HZ LYS 24 -11.554 3.964 -3.771 206 HZ3 LYS 24 2HZ LYS 24 -11.760 3.987 -2.091 207 H ASP 25 H ASP 25 -7.640 9.520 -0.733 208 HA ASP 25 HA ASP 25 -9.700 10.619 -2.326 209 HB2 ASP 25 2HB ASP 25 -9.808 10.484 0.129 210 HB3 ASP 25 3HB ASP 25 -8.471 11.620 0.274 211 H GLU 26 H GLU 26 -6.336 11.525 -1.921 212 HA GLU 26 HA GLU 26 -6.499 14.214 -2.888 213 HB2 GLU 26 2HB GLU 26 -4.129 12.284 -2.894 214 HB3 GLU 26 3HB GLU 26 -4.024 14.017 -3.154 215 HG2 GLU 26 2HG GLU 26 -4.907 12.670 -0.579 216 HG3 GLU 26 3HG GLU 26 -3.315 13.357 -0.886 217 H GLY 27 H GLY 27 -6.711 11.155 -4.440 218 HA2 GLY 27 2HA GLY 27 -7.853 11.093 -6.542 219 HA3 GLY 27 3HA GLY 27 -6.959 12.513 -7.062 220 H LEU 28 H LEU 28 -5.404 9.822 -5.419 221 HA LEU 28 HA LEU 28 -4.090 9.035 -7.958 222 HB2 LEU 28 2HB LEU 28 -1.956 8.829 -6.918 223 HB3 LEU 28 3HB LEU 28 -2.558 10.429 -6.547 224 HG LEU 28 HG LEU 28 -2.580 8.105 -4.559 225 HD11 LEU 28 1HD1 LEU 28 -0.685 9.193 -3.471 226 HD12 LEU 28 2HD1 LEU 28 -0.636 10.428 -4.730 227 HD13 LEU 28 3HD1 LEU 28 -0.268 8.746 -5.127 228 HD21 LEU 28 3HD2 LEU 28 -4.282 9.755 -4.049 229 HD22 LEU 28 1HD2 LEU 28 -3.101 11.062 -4.166 230 HD23 LEU 28 2HD2 LEU 28 -2.973 9.859 -2.878 231 H GLU 29 H GLU 29 -3.386 6.893 -8.115 232 HA GLU 29 HA GLU 29 -5.098 4.947 -6.922 233 HB2 GLU 29 2HB GLU 29 -4.379 4.819 -9.264 234 HB3 GLU 29 3HB GLU 29 -2.694 4.706 -8.770 235 HG2 GLU 29 2HG GLU 29 -3.007 2.490 -7.887 236 HG3 GLU 29 3HG GLU 29 -4.762 2.608 -8.038 237 H VAL 30 H VAL 30 -4.683 3.603 -5.229 238 HA VAL 30 HA VAL 30 -2.027 3.707 -3.911 239 HB VAL 30 HB VAL 30 -4.768 3.233 -2.620 240 HG11 VAL 30 1HG1 VAL 30 -2.029 3.404 -1.301 241 HG12 VAL 30 2HG1 VAL 30 -3.008 1.943 -1.457 242 HG13 VAL 30 3HG1 VAL 30 -3.574 3.278 -0.451 243 HG21 VAL 30 3HG2 VAL 30 -4.417 5.593 -3.262 244 HG22 VAL 30 1HG2 VAL 30 -2.886 5.612 -2.382 245 HG23 VAL 30 2HG2 VAL 30 -4.407 5.410 -1.505 246 H TYR 31 H TYR 31 -0.960 1.849 -3.716 247 HA TYR 31 HA TYR 31 -2.254 -0.738 -4.318 248 HB2 TYR 31 2HB TYR 31 0.641 0.214 -4.460 249 HB3 TYR 31 3HB TYR 31 0.250 -1.507 -4.403 250 HD1 TYR 31 HD2 TYR 31 -0.179 1.601 -6.421 251 HD2 TYR 31 HD1 TYR 31 -0.634 -2.643 -6.315 252 HE1 TYR 31 HE2 TYR 31 -0.668 1.592 -8.824 253 HE2 TYR 31 HE1 TYR 31 -1.126 -2.646 -8.711 254 HH TYR 31 HH TYR 31 -2.048 -1.014 -10.383 255 H ILE 32 H ILE 32 -2.466 -2.184 -2.752 256 HA ILE 32 HA ILE 32 -1.247 -1.621 -0.100 257 HB ILE 32 HB ILE 32 -3.870 -3.022 -0.785 258 HG12 ILE 32 2HG1 ILE 32 -3.991 -0.538 -1.001 259 HG13 ILE 32 3HG1 ILE 32 -5.002 -1.131 0.310 260 HG21 ILE 32 1HG2 ILE 32 -4.276 -3.154 1.646 261 HG22 ILE 32 2HG2 ILE 32 -2.660 -2.515 1.946 262 HG23 ILE 32 3HG2 ILE 32 -2.856 -4.085 1.165 263 HD11 ILE 32 3HD1 ILE 32 -2.289 0.151 0.620 264 HD12 ILE 32 1HD1 ILE 32 -3.326 -0.417 1.936 265 HD13 ILE 32 2HD1 ILE 32 -3.852 0.912 0.904 266 H LEU 33 H LEU 33 0.469 -2.931 0.092 267 HA LEU 33 HA LEU 33 0.555 -5.594 -1.052 268 HB2 LEU 33 2HB LEU 33 2.584 -3.936 0.490 269 HB3 LEU 33 3HB LEU 33 2.865 -5.621 0.077 270 HG LEU 33 HG LEU 33 2.624 -3.266 -1.811 271 HD11 LEU 33 1HD1 LEU 33 4.846 -3.985 -2.565 272 HD12 LEU 33 2HD1 LEU 33 4.831 -5.307 -1.396 273 HD13 LEU 33 3HD1 LEU 33 4.839 -3.632 -0.839 274 HD21 LEU 33 3HD2 LEU 33 1.283 -4.955 -2.853 275 HD22 LEU 33 1HD2 LEU 33 2.473 -6.212 -2.511 276 HD23 LEU 33 2HD2 LEU 33 2.838 -4.942 -3.675 277 H LEU 34 H LEU 34 -0.613 -7.021 -0.006 278 HA LEU 34 HA LEU 34 -1.022 -6.838 2.863 279 HB2 LEU 34 2HB LEU 34 -2.665 -7.696 0.761 280 HB3 LEU 34 3HB LEU 34 -2.149 -9.213 1.464 281 HG LEU 34 HG LEU 34 -4.277 -8.550 2.448 282 HD11 LEU 34 1HD1 LEU 34 -2.076 -8.160 4.512 283 HD12 LEU 34 2HD1 LEU 34 -2.737 -9.704 3.976 284 HD13 LEU 34 3HD1 LEU 34 -3.762 -8.569 4.848 285 HD21 LEU 34 3HD2 LEU 34 -4.565 -6.455 3.700 286 HD22 LEU 34 1HD2 LEU 34 -4.152 -6.143 2.018 287 HD23 LEU 34 2HD2 LEU 34 -2.928 -5.956 3.275 288 H LYS 35 H LYS 35 0.413 -7.739 4.160 289 HA LYS 35 HA LYS 35 1.255 -10.497 3.676 290 HB2 LYS 35 2HB LYS 35 3.523 -10.045 4.567 291 HB3 LYS 35 3HB LYS 35 3.227 -9.182 3.064 292 HG2 LYS 35 2HG LYS 35 2.894 -7.085 4.297 293 HG3 LYS 35 3HG LYS 35 3.123 -7.929 5.832 294 HD2 LYS 35 2HD LYS 35 5.189 -7.563 3.638 295 HD3 LYS 35 3HD LYS 35 5.170 -6.756 5.203 296 HE2 LYS 35 2HE LYS 35 5.619 -9.711 4.684 297 HE3 LYS 35 3HE LYS 35 6.814 -8.541 5.243 298 HZ1 LYS 35 3HZ LYS 35 5.437 -8.245 7.259 299 HZ2 LYS 35 1HZ LYS 35 6.037 -9.809 7.088 300 HZ3 LYS 35 2HZ LYS 35 4.422 -9.487 6.726 301 H ASP 36 H ASP 36 0.548 -11.646 5.299 302 HA ASP 36 HA ASP 36 0.076 -10.472 7.960 303 HB2 ASP 36 2HB ASP 36 -2.040 -10.310 6.671 304 HB3 ASP 36 3HB ASP 36 -1.958 -12.028 6.290 305 H LYS 37 H LYS 37 -0.377 -12.144 9.549 306 HA LYS 37 HA LYS 37 1.577 -14.063 9.845 307 HB2 LYS 37 2HB LYS 37 -1.189 -14.151 11.131 308 HB3 LYS 37 3HB LYS 37 0.302 -14.819 11.785 309 HG2 LYS 37 2HG LYS 37 -0.309 -11.868 11.411 310 HG3 LYS 37 3HG LYS 37 -0.358 -12.742 12.941 311 HD2 LYS 37 2HD LYS 37 2.130 -12.319 11.231 312 HD3 LYS 37 3HD LYS 37 1.713 -11.400 12.678 313 HE2 LYS 37 2HE LYS 37 1.867 -13.447 14.041 314 HE3 LYS 37 3HE LYS 37 2.251 -14.388 12.598 315 HZ1 LYS 37 3HZ LYS 37 4.232 -13.830 13.857 316 HZ2 LYS 37 1HZ LYS 37 3.904 -12.177 13.699 317 HZ3 LYS 37 2HZ LYS 37 4.271 -13.100 12.333 318 H ASP 38 H ASP 38 -1.853 -14.600 9.011 319 HA ASP 38 HA ASP 38 -1.298 -17.379 8.171 320 HB2 ASP 38 2HB ASP 38 -3.054 -17.094 9.875 321 HB3 ASP 38 3HB ASP 38 -3.893 -15.928 8.862 322 H GLU 39 H GLU 39 -2.248 -18.110 6.186 323 HA GLU 39 HA GLU 39 -1.754 -16.267 4.002 324 HB2 GLU 39 2HB GLU 39 -0.829 -18.465 3.752 325 HB3 GLU 39 3HB GLU 39 -2.352 -19.238 4.160 326 HG2 GLU 39 2HG GLU 39 -1.792 -19.454 1.764 327 HG3 GLU 39 3HG GLU 39 -3.317 -18.618 2.031 328 H LYS 40 H LYS 40 -4.519 -18.115 5.273 329 HA LYS 40 HA LYS 40 -6.356 -17.389 3.221 330 HB2 LYS 40 2HB LYS 40 -6.892 -18.385 6.050 331 HB3 LYS 40 3HB LYS 40 -8.083 -18.320 4.750 332 HG2 LYS 40 2HG LYS 40 -6.831 -19.964 3.451 333 HG3 LYS 40 3HG LYS 40 -5.524 -19.946 4.631 334 HD2 LYS 40 2HD LYS 40 -6.780 -21.953 5.005 335 HD3 LYS 40 3HD LYS 40 -7.139 -20.861 6.339 336 HE2 LYS 40 2HE LYS 40 -8.953 -21.176 3.927 337 HE3 LYS 40 3HE LYS 40 -9.106 -22.152 5.384 338 HZ1 LYS 40 3HZ LYS 40 -9.387 -20.034 6.631 339 HZ2 LYS 40 1HZ LYS 40 -10.624 -20.371 5.533 340 HZ3 LYS 40 2HZ LYS 40 -9.458 -19.220 5.150 341 H ARG 41 H ARG 41 -5.803 -16.159 6.543 342 HA ARG 41 HA ARG 41 -7.603 -14.048 6.683 343 HB2 ARG 41 2HB ARG 41 -4.836 -14.476 7.833 344 HB3 ARG 41 3HB ARG 41 -5.653 -12.942 8.099 345 HG2 ARG 41 2HG ARG 41 -7.488 -14.093 9.245 346 HG3 ARG 41 3HG ARG 41 -6.699 -15.652 8.966 347 HD2 ARG 41 2HD ARG 41 -6.353 -14.546 11.282 348 HD3 ARG 41 3HD ARG 41 -4.922 -15.156 10.455 349 HE ARG 41 HE ARG 41 -4.669 -12.707 9.690 350 HH11 ARG 41 1HH1 ARG 41 -5.905 -13.594 12.866 351 HH12 ARG 41 2HH1 ARG 41 -5.349 -12.133 13.608 352 HH21 ARG 41 1HH2 ARG 41 -3.910 -10.853 10.680 353 HH22 ARG 41 2HH2 ARG 41 -4.209 -10.571 12.362 354 H LEU 42 H LEU 42 -4.316 -14.087 5.333 355 HA LEU 42 HA LEU 42 -3.993 -11.424 4.628 356 HB2 LEU 42 2HB LEU 42 -2.259 -13.244 4.680 357 HB3 LEU 42 3HB LEU 42 -2.919 -13.888 3.195 358 HG LEU 42 HG LEU 42 -1.715 -11.085 3.323 359 HD11 LEU 42 1HD1 LEU 42 -0.254 -13.657 2.638 360 HD12 LEU 42 2HD1 LEU 42 0.001 -12.672 4.082 361 HD13 LEU 42 3HD1 LEU 42 0.394 -12.017 2.495 362 HD21 LEU 42 3HD2 LEU 42 -3.054 -11.491 1.328 363 HD22 LEU 42 1HD2 LEU 42 -2.151 -12.967 0.985 364 HD23 LEU 42 2HD2 LEU 42 -1.348 -11.394 0.901 365 H GLU 43 H GLU 43 -5.083 -14.125 2.569 366 HA GLU 43 HA GLU 43 -5.491 -12.597 0.231 367 HB2 GLU 43 2HB GLU 43 -4.956 -14.993 0.239 368 HB3 GLU 43 3HB GLU 43 -6.508 -15.363 0.989 369 HG2 GLU 43 2HG GLU 43 -7.695 -14.617 -1.015 370 HG3 GLU 43 3HG GLU 43 -6.179 -14.100 -1.754 371 H GLU 44 H GLU 44 -7.656 -13.436 2.868 372 HA GLU 44 HA GLU 44 -10.093 -12.592 1.592 373 HB2 GLU 44 2HB GLU 44 -9.397 -12.967 4.535 374 HB3 GLU 44 3HB GLU 44 -11.020 -12.632 3.928 375 HG2 GLU 44 2HG GLU 44 -10.999 -14.742 2.657 376 HG3 GLU 44 3HG GLU 44 -9.368 -15.083 3.233 377 H LYS 45 H LYS 45 -7.720 -11.099 3.784 378 HA LYS 45 HA LYS 45 -9.042 -8.643 4.199 379 HB2 LYS 45 2HB LYS 45 -7.169 -9.401 5.624 380 HB3 LYS 45 3HB LYS 45 -6.057 -9.263 4.264 381 HG2 LYS 45 2HG LYS 45 -5.734 -7.332 5.651 382 HG3 LYS 45 3HG LYS 45 -6.554 -6.798 4.186 383 HD2 LYS 45 2HD LYS 45 -7.687 -5.649 5.886 384 HD3 LYS 45 3HD LYS 45 -8.752 -7.022 5.579 385 HE2 LYS 45 2HE LYS 45 -8.481 -6.634 7.990 386 HE3 LYS 45 3HE LYS 45 -7.761 -8.186 7.549 387 HZ1 LYS 45 3HZ LYS 45 -6.344 -5.625 8.044 388 HZ2 LYS 45 1HZ LYS 45 -5.586 -7.013 7.456 389 HZ3 LYS 45 2HZ LYS 45 -6.278 -7.019 8.994 390 H ILE 46 H ILE 46 -6.891 -9.801 1.640 391 HA ILE 46 HA ILE 46 -6.491 -7.517 0.124 392 HB ILE 46 HB ILE 46 -6.964 -10.378 -0.837 393 HG12 ILE 46 2HG1 ILE 46 -4.393 -8.782 -0.423 394 HG13 ILE 46 3HG1 ILE 46 -4.952 -10.122 0.567 395 HG21 ILE 46 1HG2 ILE 46 -5.901 -8.065 -2.495 396 HG22 ILE 46 2HG2 ILE 46 -7.471 -8.840 -2.697 397 HG23 ILE 46 3HG2 ILE 46 -5.994 -9.749 -3.015 398 HD11 ILE 46 3HD1 ILE 46 -3.176 -10.858 -0.844 399 HD12 ILE 46 1HD1 ILE 46 -3.994 -10.257 -2.289 400 HD13 ILE 46 2HD1 ILE 46 -4.670 -11.619 -1.391 401 H GLN 47 H GLN 47 -9.224 -9.810 -0.049 402 HA GLN 47 HA GLN 47 -10.653 -8.435 -2.074 403 HB2 GLN 47 2HB GLN 47 -11.660 -10.461 -0.030 404 HB3 GLN 47 3HB GLN 47 -12.523 -9.974 -1.487 405 HG2 GLN 47 2HG GLN 47 -9.865 -11.431 -1.388 406 HG3 GLN 47 3HG GLN 47 -11.424 -12.136 -1.809 407 HE21 GLN 47 1HE2 GLN 47 -8.837 -10.069 -2.891 408 HE22 GLN 47 2HE2 GLN 47 -9.299 -10.008 -4.554 409 H LYS 48 H LYS 48 -10.733 -8.198 1.445 410 HA LYS 48 HA LYS 48 -13.206 -6.763 1.647 411 HB2 LYS 48 2HB LYS 48 -10.940 -7.098 3.662 412 HB3 LYS 48 3HB LYS 48 -12.504 -6.381 4.036 413 HG2 LYS 48 2HG LYS 48 -11.986 -9.248 3.191 414 HG3 LYS 48 3HG LYS 48 -12.431 -8.694 4.803 415 HD2 LYS 48 2HD LYS 48 -14.181 -8.511 2.320 416 HD3 LYS 48 3HD LYS 48 -14.346 -9.704 3.606 417 HE2 LYS 48 2HE LYS 48 -14.927 -7.959 5.210 418 HE3 LYS 48 3HE LYS 48 -14.631 -6.707 4.000 419 HZ1 LYS 48 3HZ LYS 48 -16.979 -7.154 4.222 420 HZ2 LYS 48 1HZ LYS 48 -16.744 -8.784 3.859 421 HZ3 LYS 48 2HZ LYS 48 -16.446 -7.609 2.684 422 H LEU 49 H LEU 49 -9.793 -5.797 1.503 423 HA LEU 49 HA LEU 49 -10.354 -2.983 1.804 424 HB2 LEU 49 2HB LEU 49 -7.876 -4.514 0.962 425 HB3 LEU 49 3HB LEU 49 -7.920 -2.759 1.038 426 HG LEU 49 HG LEU 49 -8.430 -4.577 3.427 427 HD11 LEU 49 1HD1 LEU 49 -6.191 -3.951 4.206 428 HD12 LEU 49 2HD1 LEU 49 -5.899 -3.067 2.704 429 HD13 LEU 49 3HD1 LEU 49 -6.118 -4.819 2.673 430 HD21 LEU 49 3HD2 LEU 49 -9.537 -2.401 3.618 431 HD22 LEU 49 1HD2 LEU 49 -8.013 -1.572 3.269 432 HD23 LEU 49 2HD2 LEU 49 -8.193 -2.520 4.750 433 H LYS 50 H LYS 50 -9.856 -5.196 -0.977 434 HA LYS 50 HA LYS 50 -9.855 -3.255 -3.018 435 HB2 LYS 50 2HB LYS 50 -10.772 -6.156 -3.126 436 HB3 LYS 50 3HB LYS 50 -10.622 -5.122 -4.544 437 HG2 LYS 50 2HG LYS 50 -8.164 -4.814 -3.921 438 HG3 LYS 50 3HG LYS 50 -8.397 -6.082 -2.722 439 HD2 LYS 50 2HD LYS 50 -7.453 -7.088 -4.704 440 HD3 LYS 50 3HD LYS 50 -9.133 -7.620 -4.570 441 HE2 LYS 50 2HE LYS 50 -9.801 -5.928 -6.238 442 HE3 LYS 50 3HE LYS 50 -8.127 -5.379 -6.356 443 HZ1 LYS 50 3HZ LYS 50 -7.515 -7.569 -7.169 444 HZ2 LYS 50 1HZ LYS 50 -8.687 -6.857 -8.155 445 HZ3 LYS 50 2HZ LYS 50 -9.121 -8.080 -7.075 446 H SER 51 H SER 51 -12.520 -4.763 -1.266 447 HA SER 51 HA SER 51 -14.701 -3.806 -2.706 448 HB2 SER 51 2HB SER 51 -14.861 -5.416 -0.826 449 HB3 SER 51 3HB SER 51 -14.460 -4.132 0.315 450 HG SER 51 HG SER 51 -16.747 -4.303 -1.364 451 H GLN 52 H GLN 52 -12.552 -2.094 -0.491 452 HA GLN 52 HA GLN 52 -14.148 0.363 -0.512 453 HB2 GLN 52 2HB GLN 52 -11.463 -0.209 0.809 454 HB3 GLN 52 3HB GLN 52 -12.433 1.243 1.034 455 HG2 GLN 52 2HG GLN 52 -14.235 -0.180 2.029 456 HG3 GLN 52 3HG GLN 52 -13.145 -1.566 1.919 457 HE21 GLN 52 1HE2 GLN 52 -11.258 -1.585 3.242 458 HE22 GLN 52 2HE2 GLN 52 -11.145 -0.592 4.650 459 H GLY 53 H GLY 53 -12.385 -0.910 -2.851 460 HA2 GLY 53 2HA GLY 53 -11.624 0.042 -4.803 461 HA3 GLY 53 3HA GLY 53 -11.878 1.631 -4.102 462 H PHE 54 H PHE 54 -9.814 -1.076 -3.073 463 HA PHE 54 HA PHE 54 -7.371 0.527 -3.646 464 HB2 PHE 54 2HB PHE 54 -7.767 -1.626 -1.507 465 HB3 PHE 54 3HB PHE 54 -6.240 -0.824 -1.861 466 HD1 PHE 54 HD2 PHE 54 -6.372 1.856 -1.754 467 HD2 PHE 54 HD1 PHE 54 -8.997 -0.817 0.322 468 HE1 PHE 54 HE2 PHE 54 -6.912 3.614 -0.131 469 HE2 PHE 54 HE1 PHE 54 -9.526 0.954 1.935 470 HZ PHE 54 HZ PHE 54 -8.483 3.158 1.707 471 H GLU 55 H GLU 55 -5.865 -0.476 -5.016 472 HA GLU 55 HA GLU 55 -6.467 -3.190 -5.930 473 HB2 GLU 55 2HB GLU 55 -5.770 -1.534 -7.631 474 HB3 GLU 55 3HB GLU 55 -4.209 -1.356 -6.829 475 HG2 GLU 55 2HG GLU 55 -3.456 -3.468 -7.503 476 HG3 GLU 55 3HG GLU 55 -5.081 -4.119 -7.677 477 H VAL 56 H VAL 56 -6.172 -4.359 -4.157 478 HA VAL 56 HA VAL 56 -3.700 -4.289 -2.612 479 HB VAL 56 HB VAL 56 -6.076 -6.159 -2.192 480 HG11 VAL 56 1HG1 VAL 56 -5.210 -6.240 0.152 481 HG12 VAL 56 2HG1 VAL 56 -3.841 -5.245 -0.343 482 HG13 VAL 56 3HG1 VAL 56 -4.047 -6.858 -1.024 483 HG21 VAL 56 3HG2 VAL 56 -6.940 -4.553 -0.552 484 HG22 VAL 56 1HG2 VAL 56 -6.879 -3.829 -2.158 485 HG23 VAL 56 2HG2 VAL 56 -5.655 -3.418 -0.957 486 H ARG 57 H ARG 57 -2.103 -5.656 -2.951 487 HA ARG 57 HA ARG 57 -2.472 -8.115 -4.549 488 HB2 ARG 57 2HB ARG 57 -0.237 -6.049 -4.853 489 HB3 ARG 57 3HB ARG 57 -0.260 -7.625 -5.641 490 HG2 ARG 57 2HG ARG 57 -2.305 -6.984 -6.885 491 HG3 ARG 57 3HG ARG 57 -2.286 -5.403 -6.097 492 HD2 ARG 57 2HD ARG 57 -0.140 -4.885 -7.142 493 HD3 ARG 57 3HD ARG 57 -0.081 -6.487 -7.878 494 HE ARG 57 HE ARG 57 -2.368 -4.824 -8.574 495 HH11 ARG 57 1HH1 ARG 57 0.831 -5.950 -9.497 496 HH12 ARG 57 2HH1 ARG 57 0.632 -5.530 -11.163 497 HH21 ARG 57 1HH2 ARG 57 -2.583 -4.216 -10.760 498 HH22 ARG 57 2HH2 ARG 57 -1.303 -4.544 -11.873 499 H LYS 58 H LYS 58 -0.994 -9.750 -4.083 500 HA LYS 58 HA LYS 58 -0.214 -9.883 -1.281 501 HB2 LYS 58 2HB LYS 58 -1.593 -11.649 -2.343 502 HB3 LYS 58 3HB LYS 58 -0.304 -11.984 -3.492 503 HG2 LYS 58 2HG LYS 58 1.142 -12.773 -1.652 504 HG3 LYS 58 3HG LYS 58 -0.129 -12.401 -0.483 505 HD2 LYS 58 2HD LYS 58 -0.253 -14.486 -2.701 506 HD3 LYS 58 3HD LYS 58 -0.140 -14.803 -0.970 507 HE2 LYS 58 2HE LYS 58 -2.389 -13.786 -0.651 508 HE3 LYS 58 3HE LYS 58 -2.494 -13.488 -2.386 509 HZ1 LYS 58 3HZ LYS 58 -2.279 -16.156 -1.104 510 HZ2 LYS 58 1HZ LYS 58 -2.400 -15.871 -2.762 511 HZ3 LYS 58 2HZ LYS 58 -3.691 -15.476 -1.739 512 H VAL 59 H VAL 59 1.888 -9.851 -0.602 513 HA VAL 59 HA VAL 59 4.067 -10.627 -2.444 514 HB VAL 59 HB VAL 59 5.593 -8.971 -1.225 515 HG11 VAL 59 1HG1 VAL 59 4.886 -8.546 -3.526 516 HG12 VAL 59 2HG1 VAL 59 4.991 -7.036 -2.619 517 HG13 VAL 59 3HG1 VAL 59 3.414 -7.754 -2.951 518 HG21 VAL 59 3HG2 VAL 59 4.160 -8.530 0.719 519 HG22 VAL 59 1HG2 VAL 59 2.950 -7.766 -0.316 520 HG23 VAL 59 2HG2 VAL 59 4.537 -7.019 -0.112 521 H LYS 60 H LYS 60 6.010 -11.211 -1.228 522 HA LYS 60 HA LYS 60 5.283 -13.031 0.921 523 HB2 LYS 60 2HB LYS 60 7.945 -12.665 -0.529 524 HB3 LYS 60 3HB LYS 60 7.535 -13.978 0.571 525 HG2 LYS 60 2HG LYS 60 5.857 -14.827 -0.977 526 HG3 LYS 60 3HG LYS 60 6.109 -13.449 -2.058 527 HD2 LYS 60 2HD LYS 60 8.465 -14.190 -2.405 528 HD3 LYS 60 3HD LYS 60 8.162 -15.590 -1.373 529 HE2 LYS 60 2HE LYS 60 6.746 -15.000 -3.995 530 HE3 LYS 60 3HE LYS 60 8.057 -16.157 -3.773 531 HZ1 LYS 60 3HZ LYS 60 5.353 -16.302 -2.563 532 HZ2 LYS 60 1HZ LYS 60 6.614 -17.366 -2.207 533 HZ3 LYS 60 2HZ LYS 60 5.981 -17.299 -3.767 534 H ASP 61 H ASP 61 8.334 -11.189 0.666 535 HA ASP 61 HA ASP 61 7.955 -10.092 3.387 536 HB2 ASP 61 2HB ASP 61 10.273 -11.819 2.410 537 HB3 ASP 61 3HB ASP 61 10.455 -10.731 3.782 538 H ASP 62 H ASP 62 10.272 -8.787 3.778 539 HA ASP 62 HA ASP 62 9.761 -6.381 2.414 540 HB2 ASP 62 2HB ASP 62 11.629 -5.453 3.697 541 HB3 ASP 62 3HB ASP 62 10.679 -6.520 4.722 542 H ASP 63 H ASP 63 12.188 -8.843 1.869 543 HA ASP 63 HA ASP 63 13.841 -7.457 0.001 544 HB2 ASP 63 2HB ASP 63 14.709 -9.672 -0.671 545 HB3 ASP 63 3HB ASP 63 14.642 -9.524 1.081 546 H ASP 64 H ASP 64 10.942 -9.465 -0.396 547 HA ASP 64 HA ASP 64 10.820 -9.370 -3.240 548 HB2 ASP 64 2HB ASP 64 9.622 -11.043 -1.768 549 HB3 ASP 64 3HB ASP 64 8.524 -9.761 -1.270 550 H ILE 65 H ILE 65 9.579 -7.397 -0.636 551 HA ILE 65 HA ILE 65 7.679 -5.798 -1.996 552 HB ILE 65 HB ILE 65 9.196 -5.378 0.607 553 HG12 ILE 65 2HG1 ILE 65 6.275 -6.095 0.101 554 HG13 ILE 65 3HG1 ILE 65 7.534 -7.256 0.499 555 HG21 ILE 65 1HG2 ILE 65 8.644 -3.134 -0.218 556 HG22 ILE 65 2HG2 ILE 65 7.651 -3.536 1.182 557 HG23 ILE 65 3HG2 ILE 65 6.958 -3.612 -0.438 558 HD11 ILE 65 3HD1 ILE 65 7.831 -6.153 2.673 559 HD12 ILE 65 1HD1 ILE 65 6.205 -6.775 2.418 560 HD13 ILE 65 2HD1 ILE 65 6.511 -5.049 2.274 561 H ASP 66 H ASP 66 11.039 -4.907 -0.974 562 HA ASP 66 HA ASP 66 10.990 -2.316 -2.095 563 HB2 ASP 66 2HB ASP 66 12.621 -3.073 -0.336 564 HB3 ASP 66 3HB ASP 66 13.448 -4.048 -1.545 565 H LYS 67 H LYS 67 11.896 -5.441 -3.374 566 HA LYS 67 HA LYS 67 12.925 -4.638 -5.911 567 HB2 LYS 67 2HB LYS 67 13.455 -6.806 -4.909 568 HB3 LYS 67 3HB LYS 67 11.753 -7.244 -4.869 569 HG2 LYS 67 2HG LYS 67 11.708 -7.339 -7.342 570 HG3 LYS 67 3HG LYS 67 13.410 -6.865 -7.389 571 HD2 LYS 67 2HD LYS 67 13.092 -9.318 -7.685 572 HD3 LYS 67 3HD LYS 67 14.068 -8.932 -6.262 573 HE2 LYS 67 2HE LYS 67 12.452 -10.711 -5.756 574 HE3 LYS 67 3HE LYS 67 12.071 -9.277 -4.821 575 HZ1 LYS 67 3HZ LYS 67 10.726 -10.126 -7.331 576 HZ2 LYS 67 1HZ LYS 67 10.354 -8.734 -6.436 577 HZ3 LYS 67 2HZ LYS 67 10.094 -10.265 -5.770 578 H TRP 68 H TRP 68 9.741 -5.427 -4.636 579 HA TRP 68 HA TRP 68 8.270 -5.692 -7.037 580 HB2 TRP 68 2HB TRP 68 7.607 -6.485 -4.699 581 HB3 TRP 68 3HB TRP 68 7.188 -4.823 -4.313 582 HD1 TRP 68 HD1 TRP 68 6.035 -7.823 -6.371 583 HE1 TRP 68 HE1 TRP 68 3.588 -7.456 -7.066 584 HE3 TRP 68 HE3 TRP 68 5.426 -3.014 -4.741 585 HZ2 TRP 68 HZ2 TRP 68 1.664 -5.423 -6.922 586 HZ3 TRP 68 HZ3 TRP 68 3.235 -1.933 -5.033 587 HH2 TRP 68 HH2 TRP 68 1.382 -3.120 -6.106 588 H ILE 69 H ILE 69 9.073 -2.908 -5.050 589 HA ILE 69 HA ILE 69 7.399 -1.018 -6.460 590 HB ILE 69 HB ILE 69 9.508 -0.842 -4.303 591 HG12 ILE 69 2HG1 ILE 69 7.631 0.533 -3.201 592 HG13 ILE 69 3HG1 ILE 69 6.623 0.090 -4.565 593 HG21 ILE 69 1HG2 ILE 69 9.470 1.634 -4.286 594 HG22 ILE 69 2HG2 ILE 69 8.603 1.616 -5.822 595 HG23 ILE 69 3HG2 ILE 69 10.247 0.982 -5.733 596 HD11 ILE 69 3HD1 ILE 69 6.185 -1.296 -2.628 597 HD12 ILE 69 1HD1 ILE 69 7.872 -1.807 -2.587 598 HD13 ILE 69 2HD1 ILE 69 6.844 -2.266 -3.945 599 H ASP 70 H ASP 70 10.799 -1.942 -6.486 600 HA ASP 70 HA ASP 70 11.854 -0.045 -8.233 601 HB2 ASP 70 2HB ASP 70 13.246 -1.451 -6.777 602 HB3 ASP 70 3HB ASP 70 12.758 -2.898 -7.651 603 H LYS 71 H LYS 71 10.537 -3.287 -8.925 604 HA LYS 71 HA LYS 71 11.021 -3.269 -11.705 605 HB2 LYS 71 2HB LYS 71 9.526 -5.239 -11.797 606 HB3 LYS 71 3HB LYS 71 10.748 -5.359 -10.547 607 HG2 LYS 71 2HG LYS 71 9.081 -6.004 -9.167 608 HG3 LYS 71 3HG LYS 71 8.604 -4.311 -9.137 609 HD2 LYS 71 2HD LYS 71 6.633 -5.608 -9.589 610 HD3 LYS 71 3HD LYS 71 7.068 -4.789 -11.091 611 HE2 LYS 71 2HE LYS 71 8.093 -6.860 -11.940 612 HE3 LYS 71 3HE LYS 71 7.736 -7.678 -10.417 613 HZ1 LYS 71 3HZ LYS 71 5.727 -6.615 -12.329 614 HZ2 LYS 71 1HZ LYS 71 5.374 -7.359 -10.853 615 HZ3 LYS 71 2HZ LYS 71 6.115 -8.244 -12.085 616 H ILE 72 H ILE 72 8.187 -2.190 -9.800 617 HA ILE 72 HA ILE 72 6.379 -1.789 -11.935 618 HB ILE 72 HB ILE 72 6.582 -0.408 -9.224 619 HG12 ILE 72 2HG1 ILE 72 4.605 -2.444 -10.347 620 HG13 ILE 72 3HG1 ILE 72 5.844 -2.752 -9.134 621 HG21 ILE 72 1HG2 ILE 72 4.365 0.633 -9.608 622 HG22 ILE 72 2HG2 ILE 72 4.375 0.043 -11.269 623 HG23 ILE 72 3HG2 ILE 72 5.563 1.240 -10.753 624 HD11 ILE 72 3HD1 ILE 72 4.670 -1.253 -7.580 625 HD12 ILE 72 1HD1 ILE 72 3.665 -2.596 -8.116 626 HD13 ILE 72 2HD1 ILE 72 3.413 -0.989 -8.793 627 H LYS 73 H LYS 73 8.889 0.308 -10.541 628 HA LYS 73 HA LYS 73 8.287 2.620 -12.065 629 HB2 LYS 73 2HB LYS 73 10.910 1.787 -10.769 630 HB3 LYS 73 3HB LYS 73 10.553 3.405 -11.383 631 HG2 LYS 73 2HG LYS 73 8.660 3.578 -9.778 632 HG3 LYS 73 3HG LYS 73 9.082 1.993 -9.127 633 HD2 LYS 73 2HD LYS 73 10.880 4.442 -9.102 634 HD3 LYS 73 3HD LYS 73 9.933 3.860 -7.732 635 HE2 LYS 73 2HE LYS 73 11.241 1.756 -7.731 636 HE3 LYS 73 3HE LYS 73 12.193 2.351 -9.097 637 HZ1 LYS 73 3HZ LYS 73 12.048 3.593 -6.403 638 HZ2 LYS 73 1HZ LYS 73 12.927 4.201 -7.709 639 HZ3 LYS 73 2HZ LYS 73 13.348 2.717 -7.027 640 H LYS 74 H LYS 74 9.979 -0.312 -12.984 641 HA LYS 74 HA LYS 74 11.114 0.845 -15.399 642 HB2 LYS 74 2HB LYS 74 12.337 -0.958 -14.288 643 HB3 LYS 74 3HB LYS 74 10.946 -2.031 -14.406 644 HG2 LYS 74 2HG LYS 74 11.165 -2.127 -16.836 645 HG3 LYS 74 3HG LYS 74 12.455 -0.924 -16.807 646 HD2 LYS 74 2HD LYS 74 12.628 -3.673 -15.510 647 HD3 LYS 74 3HD LYS 74 13.274 -3.275 -17.102 648 HE2 LYS 74 2HE LYS 74 14.829 -1.665 -16.105 649 HE3 LYS 74 3HE LYS 74 14.140 -1.953 -14.506 650 HZ1 LYS 74 3HZ LYS 74 16.198 -3.169 -14.818 651 HZ2 LYS 74 1HZ LYS 74 15.557 -3.976 -16.162 652 HZ3 LYS 74 2HZ LYS 74 14.907 -4.239 -14.626 653 H GLU 75 H GLU 75 8.447 -1.322 -14.490 654 HA GLU 75 HA GLU 75 7.386 -1.877 -17.048 655 HB2 GLU 75 2HB GLU 75 5.968 -1.743 -14.351 656 HB3 GLU 75 3HB GLU 75 5.289 -2.474 -15.798 657 HG2 GLU 75 2HG GLU 75 7.778 -3.439 -14.357 658 HG3 GLU 75 3HG GLU 75 6.173 -4.134 -14.181 659 H ARG 76 H ARG 76 6.999 0.798 -14.866 660 HA ARG 76 HA ARG 76 5.306 2.351 -16.681 661 HB2 ARG 76 2HB ARG 76 4.583 1.634 -13.800 662 HB3 ARG 76 3HB ARG 76 3.782 2.911 -14.706 663 HG2 ARG 76 2HG ARG 76 2.633 1.412 -16.084 664 HG3 ARG 76 3HG ARG 76 3.827 0.135 -15.877 665 HD2 ARG 76 2HD ARG 76 1.819 -0.533 -14.765 666 HD3 ARG 76 3HD ARG 76 3.029 -0.164 -13.537 667 HE ARG 76 HE ARG 76 1.366 2.095 -14.033 668 HH11 ARG 76 1HH1 ARG 76 1.402 -1.028 -12.429 669 HH12 ARG 76 2HH1 ARG 76 0.220 -0.589 -11.264 670 HH21 ARG 76 1HH2 ARG 76 -0.253 2.661 -12.498 671 HH22 ARG 76 2HH2 ARG 76 -0.745 1.515 -11.289 672 HA PRO 77 HA PRO 77 8.705 4.875 -14.635 673 HB2 PRO 77 2HB PRO 77 9.508 6.194 -16.920 674 HB3 PRO 77 3HB PRO 77 10.119 4.594 -16.462 675 HG2 PRO 77 2HG PRO 77 7.960 5.276 -18.436 676 HG3 PRO 77 3HG PRO 77 9.300 4.115 -18.589 677 HD2 PRO 77 2HD PRO 77 6.779 3.320 -17.945 678 HD3 PRO 77 3HD PRO 77 8.220 2.484 -17.322 679 H GLN 78 H GLN 78 5.704 5.478 -16.042 680 HA GLN 78 HA GLN 78 5.713 8.328 -16.193 681 HB2 GLN 78 2HB GLN 78 3.266 8.121 -16.417 682 HB3 GLN 78 3HB GLN 78 4.121 7.019 -17.487 683 HG2 GLN 78 2HG GLN 78 3.613 5.138 -16.011 684 HG3 GLN 78 3HG GLN 78 2.848 6.219 -14.851 685 HE21 GLN 78 1HE2 GLN 78 1.425 7.840 -16.748 686 HE22 GLN 78 2HE2 GLN 78 0.164 6.855 -17.387 687 H LEU 79 H LEU 79 5.495 6.197 -13.480 688 HA LEU 79 HA LEU 79 4.102 8.273 -11.886 689 HB2 LEU 79 2HB LEU 79 3.256 6.286 -10.459 690 HB3 LEU 79 3HB LEU 79 2.489 6.645 -11.991 691 HG LEU 79 HG LEU 79 3.875 4.744 -13.017 692 HD11 LEU 79 1HD1 LEU 79 4.730 3.001 -11.545 693 HD12 LEU 79 2HD1 LEU 79 4.378 3.997 -10.127 694 HD13 LEU 79 3HD1 LEU 79 5.597 4.517 -11.296 695 HD21 LEU 79 3HD2 LEU 79 2.348 3.006 -12.242 696 HD22 LEU 79 1HD2 LEU 79 1.491 4.523 -12.508 697 HD23 LEU 79 2HD2 LEU 79 1.876 4.004 -10.864 698 H GLU 80 H GLU 80 4.739 8.795 -9.913 699 HA GLU 80 HA GLU 80 7.312 7.956 -8.874 700 HB2 GLU 80 2HB GLU 80 5.191 9.843 -7.750 701 HB3 GLU 80 3HB GLU 80 6.784 9.594 -7.043 702 HG2 GLU 80 2HG GLU 80 6.186 10.806 -9.754 703 HG3 GLU 80 3HG GLU 80 6.723 11.670 -8.315 704 H VAL 81 H VAL 81 7.593 6.487 -7.241 705 HA VAL 81 HA VAL 81 5.199 5.333 -5.913 706 HB VAL 81 HB VAL 81 7.790 3.807 -6.463 707 HG11 VAL 81 1HG1 VAL 81 6.449 2.974 -4.572 708 HG12 VAL 81 2HG1 VAL 81 6.444 1.818 -5.906 709 HG13 VAL 81 3HG1 VAL 81 5.033 2.840 -5.621 710 HG21 VAL 81 3HG2 VAL 81 6.762 4.348 -8.641 711 HG22 VAL 81 1HG2 VAL 81 5.226 3.668 -8.096 712 HG23 VAL 81 2HG2 VAL 81 6.633 2.621 -8.297 713 H ARG 82 H ARG 82 5.214 5.407 -3.738 714 HA ARG 82 HA ARG 82 7.768 5.707 -2.260 715 HB2 ARG 82 2HB ARG 82 6.545 7.848 -2.195 716 HB3 ARG 82 3HB ARG 82 5.081 7.030 -1.663 717 HG2 ARG 82 2HG ARG 82 6.159 8.195 0.201 718 HG3 ARG 82 3HG ARG 82 6.153 6.451 0.475 719 HD2 ARG 82 2HD ARG 82 8.296 7.432 1.136 720 HD3 ARG 82 3HD ARG 82 8.521 6.337 -0.229 721 HE ARG 82 HE ARG 82 8.170 8.931 -1.242 722 HH11 ARG 82 1HH1 ARG 82 10.573 7.189 0.660 723 HH12 ARG 82 2HH1 ARG 82 11.881 8.180 0.117 724 HH21 ARG 82 1HH2 ARG 82 9.915 10.221 -1.932 725 HH22 ARG 82 2HH2 ARG 82 11.516 9.887 -1.340 726 H LYS 83 H LYS 83 8.093 4.135 -0.785 727 HA LYS 83 HA LYS 83 6.055 2.108 -0.261 728 HB2 LYS 83 2HB LYS 83 8.868 2.261 0.909 729 HB3 LYS 83 3HB LYS 83 7.786 0.871 0.938 730 HG2 LYS 83 2HG LYS 83 7.946 0.897 -1.616 731 HG3 LYS 83 3HG LYS 83 9.278 2.036 -1.420 732 HD2 LYS 83 2HD LYS 83 9.136 -0.822 -0.380 733 HD3 LYS 83 3HD LYS 83 10.178 -0.212 -1.665 734 HE2 LYS 83 2HE LYS 83 10.348 0.606 1.263 735 HE3 LYS 83 3HE LYS 83 11.413 -0.543 0.453 736 HZ1 LYS 83 3HZ LYS 83 12.399 1.656 0.621 737 HZ2 LYS 83 1HZ LYS 83 11.135 2.323 -0.285 738 HZ3 LYS 83 2HZ LYS 83 12.187 1.201 -0.993 739 H VAL 84 H VAL 84 4.903 1.968 1.600 740 HA VAL 84 HA VAL 84 5.769 3.487 3.994 741 HB VAL 84 HB VAL 84 2.961 2.601 3.160 742 HG11 VAL 84 1HG1 VAL 84 3.231 2.541 5.606 743 HG12 VAL 84 2HG1 VAL 84 2.147 3.839 5.115 744 HG13 VAL 84 3HG1 VAL 84 3.803 4.212 5.596 745 HG21 VAL 84 3HG2 VAL 84 2.460 4.994 2.872 746 HG22 VAL 84 1HG2 VAL 84 3.773 4.493 1.805 747 HG23 VAL 84 2HG2 VAL 84 4.130 5.407 3.272 748 H THR 85 H THR 85 7.104 1.818 4.757 749 HA THR 85 HA THR 85 6.056 -0.896 5.112 750 HB THR 85 HB THR 85 8.385 -1.301 6.077 751 HG1 THR 85 HG1 THR 85 9.498 0.419 6.516 752 HG21 THR 85 3HG2 THR 85 9.530 -1.248 3.883 753 HG22 THR 85 1HG2 THR 85 8.263 -0.195 3.247 754 HG23 THR 85 2HG2 THR 85 7.880 -1.852 3.719 755 H ASP 86 H ASP 86 6.012 1.968 6.823 756 HA ASP 86 HA ASP 86 5.320 0.668 9.365 757 HB2 ASP 86 2HB ASP 86 7.725 1.266 9.516 758 HB3 ASP 86 3HB ASP 86 7.355 2.932 9.084 759 H GLU 87 H GLU 87 3.939 1.852 10.657 760 HA GLU 87 HA GLU 87 1.873 3.271 9.574 761 HB2 GLU 87 2HB GLU 87 1.712 2.156 11.719 762 HB3 GLU 87 3HB GLU 87 2.911 3.227 12.428 763 HG2 GLU 87 2HG GLU 87 1.261 5.138 11.996 764 HG3 GLU 87 3HG GLU 87 0.070 3.897 11.614 765 H ASP 88 H ASP 88 4.717 4.652 11.255 766 HA ASP 88 HA ASP 88 3.903 7.317 11.477 767 HB2 ASP 88 2HB ASP 88 5.841 6.365 12.682 768 HB3 ASP 88 3HB ASP 88 6.730 6.205 11.172 769 H GLN 89 H GLN 89 5.356 5.618 8.764 770 HA GLN 89 HA GLN 89 5.920 7.877 7.116 771 HB2 GLN 89 2HB GLN 89 5.456 4.963 6.340 772 HB3 GLN 89 3HB GLN 89 6.122 6.201 5.276 773 HG2 GLN 89 2HG GLN 89 8.060 6.457 6.774 774 HG3 GLN 89 3HG GLN 89 7.397 5.224 7.848 775 HE21 GLN 89 1HE2 GLN 89 7.543 3.051 7.224 776 HE22 GLN 89 2HE2 GLN 89 8.529 2.534 5.909 777 H ALA 90 H ALA 90 3.126 5.695 7.423 778 HA ALA 90 HA ALA 90 1.570 6.673 5.271 779 HB1 ALA 90 3HB ALA 90 -0.328 5.542 6.363 780 HB2 ALA 90 1HB ALA 90 0.614 5.370 7.850 781 HB3 ALA 90 2HB ALA 90 1.106 4.519 6.390 782 H LYS 91 H LYS 91 1.892 7.693 8.633 783 HA LYS 91 HA LYS 91 -0.305 9.551 8.638 784 HB2 LYS 91 2HB LYS 91 2.050 9.301 10.563 785 HB3 LYS 91 3HB LYS 91 0.565 10.203 10.864 786 HG2 LYS 91 2HG LYS 91 -0.738 8.119 10.823 787 HG3 LYS 91 3HG LYS 91 0.717 7.199 10.441 788 HD2 LYS 91 2HD LYS 91 0.248 6.913 12.791 789 HD3 LYS 91 3HD LYS 91 1.688 7.919 12.641 790 HE2 LYS 91 2HE LYS 91 0.313 9.934 13.059 791 HE3 LYS 91 3HE LYS 91 -1.122 8.916 13.212 792 HZ1 LYS 91 3HZ LYS 91 -0.184 9.513 15.367 793 HZ2 LYS 91 1HZ LYS 91 1.278 8.754 14.960 794 HZ3 LYS 91 2HZ LYS 91 -0.135 7.842 15.119 795 H GLN 92 H GLN 92 3.155 9.737 8.003 796 HA GLN 92 HA GLN 92 3.391 12.593 8.208 797 HB2 GLN 92 2HB GLN 92 5.236 10.681 8.415 798 HB3 GLN 92 3HB GLN 92 5.365 10.859 6.677 799 HG2 GLN 92 2HG GLN 92 5.850 13.044 8.725 800 HG3 GLN 92 3HG GLN 92 7.096 12.135 7.890 801 HE21 GLN 92 1HE2 GLN 92 4.812 14.746 7.660 802 HE22 GLN 92 2HE2 GLN 92 5.333 15.341 6.124 803 H ILE 93 H ILE 93 3.250 10.271 5.469 804 HA ILE 93 HA ILE 93 3.438 12.171 3.431 805 HB ILE 93 HB ILE 93 2.570 10.494 1.844 806 HG12 ILE 93 2HG1 ILE 93 2.045 8.799 4.325 807 HG13 ILE 93 3HG1 ILE 93 0.822 9.467 3.250 808 HG21 ILE 93 1HG2 ILE 93 4.592 9.374 3.823 809 HG22 ILE 93 2HG2 ILE 93 4.949 10.460 2.478 810 HG23 ILE 93 3HG2 ILE 93 4.367 8.825 2.160 811 HD11 ILE 93 3HD1 ILE 93 1.185 7.110 2.852 812 HD12 ILE 93 1HD1 ILE 93 2.882 7.403 2.488 813 HD13 ILE 93 2HD1 ILE 93 1.624 8.064 1.438 814 H LEU 94 H LEU 94 0.579 11.244 5.257 815 HA LEU 94 HA LEU 94 -1.449 12.388 3.759 816 HB2 LEU 94 2HB LEU 94 -1.070 12.635 6.769 817 HB3 LEU 94 3HB LEU 94 -2.581 12.949 5.924 818 HG LEU 94 HG LEU 94 -1.170 10.270 6.147 819 HD11 LEU 94 1HD1 LEU 94 -3.745 11.253 7.396 820 HD12 LEU 94 2HD1 LEU 94 -2.220 10.925 8.227 821 HD13 LEU 94 3HD1 LEU 94 -3.119 9.604 7.487 822 HD21 LEU 94 3HD2 LEU 94 -3.765 10.936 4.723 823 HD22 LEU 94 1HD2 LEU 94 -3.143 9.309 5.014 824 HD23 LEU 94 2HD2 LEU 94 -2.255 10.414 3.970 825 H GLU 95 H GLU 95 0.967 14.025 5.729 826 HA GLU 95 HA GLU 95 -0.042 16.728 5.314 827 HB2 GLU 95 2HB GLU 95 2.658 15.884 6.448 828 HB3 GLU 95 3HB GLU 95 1.810 17.406 6.710 829 HG2 GLU 95 2HG GLU 95 0.136 16.313 8.083 830 HG3 GLU 95 3HG GLU 95 0.789 14.722 7.689 831 H ASP 96 H ASP 96 2.344 14.584 4.044 832 HA ASP 96 HA ASP 96 4.086 16.421 2.718 833 HB2 ASP 96 2HB ASP 96 4.831 14.150 3.299 834 HB3 ASP 96 3HB ASP 96 3.647 13.457 2.196 835 H LEU 97 H LEU 97 1.349 14.443 1.488 836 HA LEU 97 HA LEU 97 1.531 15.223 -1.237 837 HB2 LEU 97 2HB LEU 97 -0.616 13.908 0.436 838 HB3 LEU 97 3HB LEU 97 -1.050 14.493 -1.159 839 HG LEU 97 HG LEU 97 0.665 12.984 -2.181 840 HD11 LEU 97 1HD1 LEU 97 1.728 11.212 -0.875 841 HD12 LEU 97 2HD1 LEU 97 1.065 11.904 0.612 842 HD13 LEU 97 3HD1 LEU 97 2.250 12.810 -0.336 843 HD21 LEU 97 3HD2 LEU 97 -1.314 11.543 -0.393 844 HD22 LEU 97 1HD2 LEU 97 -0.541 10.878 -1.835 845 HD23 LEU 97 2HD2 LEU 97 -1.663 12.229 -1.981 846 H LYS 98 H LYS 98 0.297 16.852 1.499 847 HA LYS 98 HA LYS 98 -1.470 18.707 0.155 848 HB2 LYS 98 2HB LYS 98 -0.112 19.182 2.841 849 HB3 LYS 98 3HB LYS 98 -1.583 19.938 2.243 850 HG2 LYS 98 2HG LYS 98 -1.206 17.084 3.167 851 HG3 LYS 98 3HG LYS 98 -2.193 18.334 3.916 852 HD2 LYS 98 2HD LYS 98 -2.724 16.993 1.238 853 HD3 LYS 98 3HD LYS 98 -3.577 16.679 2.747 854 HE2 LYS 98 2HE LYS 98 -4.484 18.947 2.748 855 HE3 LYS 98 3HE LYS 98 -3.566 19.341 1.289 856 HZ1 LYS 98 3HZ LYS 98 -5.734 18.822 0.594 857 HZ2 LYS 98 1HZ LYS 98 -5.815 17.432 1.556 858 HZ3 LYS 98 2HZ LYS 98 -4.802 17.470 0.205 859 H LYS 99 H LYS 99 1.881 18.674 1.132 860 HA LYS 99 HA LYS 99 2.447 21.378 0.154 861 HB2 LYS 99 2HB LYS 99 4.303 19.281 1.359 862 HB3 LYS 99 3HB LYS 99 4.731 20.959 1.020 863 HG2 LYS 99 2HG LYS 99 3.071 21.724 2.674 864 HG3 LYS 99 3HG LYS 99 2.628 20.048 3.013 865 HD2 LYS 99 2HD LYS 99 5.374 21.283 3.478 866 HD3 LYS 99 3HD LYS 99 4.168 20.963 4.725 867 HE2 LYS 99 2HE LYS 99 4.328 18.535 4.256 868 HE3 LYS 99 3HE LYS 99 5.546 18.859 3.014 869 HZ1 LYS 99 3HZ LYS 99 6.514 18.202 5.153 870 HZ2 LYS 99 1HZ LYS 99 5.832 19.556 5.889 871 HZ3 LYS 99 2HZ LYS 99 7.002 19.747 4.684 872 H LYS 100 H LYS 100 2.457 18.181 -1.027 873 HA LYS 100 HA LYS 100 3.526 16.926 -2.542 874 HB2 LYS 100 2HB LYS 100 2.470 18.474 -4.147 875 HB3 LYS 100 3HB LYS 100 3.836 19.573 -4.016 876 HG2 LYS 100 2HG LYS 100 4.030 18.332 -6.092 877 HG3 LYS 100 3HG LYS 100 5.316 17.818 -5.000 878 HD2 LYS 100 2HD LYS 100 4.405 15.866 -6.106 879 HD3 LYS 100 3HD LYS 100 3.935 15.807 -4.403 880 HE2 LYS 100 2HE LYS 100 2.056 15.184 -5.857 881 HE3 LYS 100 3HE LYS 100 1.701 16.682 -4.999 882 HZ1 LYS 100 3HZ LYS 100 2.254 17.921 -6.987 883 HZ2 LYS 100 1HZ LYS 100 1.054 16.780 -7.334 884 HZ3 LYS 100 2HZ LYS 100 2.651 16.503 -7.808 885 H GLY 101 H GLY 101 5.171 16.441 -0.998 886 HA2 GLY 101 2HA GLY 101 7.382 15.979 -0.572 887 HA3 GLY 101 3HA GLY 101 7.831 16.944 -1.972 888 H SER 102 H SER 102 9.469 18.075 -1.041 889 HA SER 102 HA SER 102 8.882 20.371 0.585 890 HB2 SER 102 2HB SER 102 10.387 19.772 2.483 891 HB3 SER 102 3HB SER 102 9.065 18.614 2.363 892 HG SER 102 HG SER 102 11.795 18.279 1.816 893 H LEU 103 H LEU 103 11.542 21.021 1.318 894 HA LEU 103 HA LEU 103 12.873 21.311 -1.278 895 HB2 LEU 103 2HB LEU 103 12.573 23.135 0.708 896 HB3 LEU 103 3HB LEU 103 14.083 22.431 1.246 897 HG LEU 103 HG LEU 103 13.592 23.797 -1.435 898 HD11 LEU 103 1HD1 LEU 103 15.128 25.525 -0.625 899 HD12 LEU 103 2HD1 LEU 103 15.254 24.699 0.931 900 HD13 LEU 103 3HD1 LEU 103 13.709 25.378 0.411 901 HD21 LEU 103 3HD2 LEU 103 16.180 22.580 -0.415 902 HD22 LEU 103 1HD2 LEU 103 16.022 23.582 -1.864 903 HD23 LEU 103 2HD2 LEU 103 15.220 22.015 -1.783 904 H GLU 104 H GLU 104 12.892 18.912 -1.038 905 HA GLU 104 HA GLU 104 14.772 17.544 0.613 906 HB2 GLU 104 2HB GLU 104 14.319 15.637 -1.120 907 HB3 GLU 104 3HB GLU 104 12.981 16.192 -0.124 908 HG2 GLU 104 2HG GLU 104 11.994 17.396 -1.930 909 HG3 GLU 104 3HG GLU 104 13.446 17.268 -2.912 910 H HIS 105 H HIS 105 16.819 18.442 0.382 911 HA HIS 105 HA HIS 105 18.147 18.373 -2.239 912 HB2 HIS 105 2HB HIS 105 18.370 20.408 -0.781 913 HB3 HIS 105 3HB HIS 105 19.230 19.438 0.411 914 HD1 HIS 105 HD1 HIS 105 21.713 19.067 0.011 915 HD2 HIS 105 HD2 HIS 105 19.825 20.764 -3.281 916 HE1 HIS 105 HE1 HIS 105 23.552 19.708 -1.569 917 HE2 HIS 105 HE2 HIS 105 22.397 20.897 -3.458 918 H HIS 106 H HIS 106 17.849 16.393 0.585 919 HA HIS 106 HA HIS 106 20.377 15.039 0.456 920 HB2 HIS 106 2HB HIS 106 17.722 14.012 1.558 921 HB3 HIS 106 3HB HIS 106 19.277 13.223 1.785 922 HD1 HIS 106 HD1 HIS 106 17.051 15.103 3.668 923 HD2 HIS 106 HD2 HIS 106 21.148 15.384 3.045 924 HE1 HIS 106 HE1 HIS 106 17.951 16.365 5.641 925 HE2 HIS 106 HE2 HIS 106 20.443 16.320 5.342 926 H HIS 107 H HIS 107 17.246 14.581 -1.097 927 HA HIS 107 HA HIS 107 18.414 12.772 -3.101 928 HB2 HIS 107 2HB HIS 107 16.549 11.183 -2.968 929 HB3 HIS 107 3HB HIS 107 17.332 11.290 -1.395 930 HD1 HIS 107 HD1 HIS 107 14.105 12.099 -3.153 931 HD2 HIS 107 HD2 HIS 107 15.741 12.412 0.658 932 HE1 HIS 107 HE1 HIS 107 12.190 12.637 -1.625 933 HE2 HIS 107 HE2 HIS 107 13.171 12.599 0.676 934 H HIS 108 H HIS 108 16.721 12.355 -4.836 935 HA HIS 108 HA HIS 108 14.913 14.623 -5.359 936 HB2 HIS 108 2HB HIS 108 16.921 13.447 -7.349 937 HB3 HIS 108 3HB HIS 108 15.707 14.665 -7.734 938 HD1 HIS 108 HD1 HIS 108 16.137 17.079 -6.878 939 HD2 HIS 108 HD2 HIS 108 19.216 14.426 -6.023 940 HE1 HIS 108 HE1 HIS 108 18.053 18.496 -6.104 941 HE2 HIS 108 HE2 HIS 108 19.946 16.886 -5.793 942 H HIS 109 H HIS 109 13.630 13.924 -7.514 943 HA HIS 109 HA HIS 109 12.240 11.507 -7.014 944 HB2 HIS 109 2HB HIS 109 11.162 11.858 -9.253 945 HB3 HIS 109 3HB HIS 109 11.090 13.278 -8.221 946 HD1 HIS 109 HD1 HIS 109 12.494 15.334 -8.939 947 HD2 HIS 109 HD2 HIS 109 12.545 12.213 -11.669 948 HE1 HIS 109 HE1 HIS 109 13.484 16.285 -11.024 949 HE2 HIS 109 HE2 HIS 109 13.662 14.343 -12.606 950 H HIS 110 H HIS 110 12.960 9.527 -7.323 951 HA HIS 110 HA HIS 110 15.513 8.935 -8.389 952 HB2 HIS 110 2HB HIS 110 13.304 6.975 -7.616 953 HB3 HIS 110 3HB HIS 110 15.016 6.599 -7.776 954 HD1 HIS 110 HD1 HIS 110 12.562 7.405 -5.298 955 HD2 HIS 110 HD2 HIS 110 16.611 8.229 -5.769 956 HE1 HIS 110 HE1 HIS 110 13.399 7.990 -3.010 957 HE2 HIS 110 HE2 HIS 110 15.883 8.228 -3.291
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