NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20966 | 2gtj | 6536 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 -5.260 27.759 2.204 2 2H GLU 1 2HT GLU 1 -4.575 28.405 3.624 3 3H GLU 1 3HT GLU 1 -5.888 27.355 3.729 4 HA GLU 1 HA GLU 1 -3.200 26.651 2.771 5 1HB GLU 1 2HB GLU 1 -3.052 25.288 4.787 6 2HB GLU 1 1HB GLU 1 -3.383 26.947 5.240 7 1HG GLU 1 2HG GLU 1 -5.526 24.825 5.085 8 2HG GLU 1 1HG GLU 1 -4.599 25.151 6.542 9 H LYS 2 H LYS 2 -3.122 24.080 2.846 10 HA LYS 2 HA LYS 2 -5.472 23.140 1.396 11 1HB LYS 2 2HB LYS 2 -3.165 22.602 0.502 12 2HB LYS 2 1HB LYS 2 -2.870 21.670 1.965 13 1HG LYS 2 2HG LYS 2 -4.782 20.205 1.368 14 2HG LYS 2 1HG LYS 2 -4.958 21.100 -0.139 15 1HD LYS 2 2HD LYS 2 -2.677 20.453 -0.777 16 2HD LYS 2 1HD LYS 2 -2.517 19.553 0.727 17 1HE LYS 2 2HE LYS 2 -3.034 18.005 -1.035 18 2HE LYS 2 1HE LYS 2 -4.440 18.135 0.018 19 1HZ LYS 2 1HZ LYS 2 -4.119 19.594 -2.550 20 2HZ LYS 2 2HZ LYS 2 -5.567 19.491 -1.642 21 3HZ LYS 2 3HZ LYS 2 -4.938 18.149 -2.404 22 H LYS 3 H LYS 3 -7.025 22.493 2.684 23 HA LYS 3 HA LYS 3 -6.336 21.503 5.359 24 1HB LYS 3 2HB LYS 3 -7.706 23.645 4.906 25 2HB LYS 3 1HB LYS 3 -8.985 22.569 4.376 26 1HG LYS 3 2HG LYS 3 -9.367 23.255 6.643 27 2HG LYS 3 1HG LYS 3 -8.989 21.530 6.606 28 1HD LYS 3 2HD LYS 3 -6.664 22.043 7.222 29 2HD LYS 3 1HD LYS 3 -7.072 23.758 7.296 30 1HE LYS 3 2HE LYS 3 -7.057 22.739 9.516 31 2HE LYS 3 1HE LYS 3 -8.666 23.315 9.077 32 1HZ LYS 3 1HZ LYS 3 -7.746 20.518 8.804 33 2HZ LYS 3 2HZ LYS 3 -9.331 21.089 8.566 34 3HZ LYS 3 3HZ LYS 3 -8.659 21.086 10.109 35 H GLU 4 H GLU 4 -6.307 19.925 2.890 36 HA GLU 4 HA GLU 4 -8.763 18.378 3.006 37 1HB GLU 4 2HB GLU 4 -6.534 18.340 0.983 38 2HB GLU 4 1HB GLU 4 -7.996 17.366 0.896 39 1HG GLU 4 2HG GLU 4 -9.347 19.377 0.767 40 2HG GLU 4 1HG GLU 4 -7.895 20.370 0.887 41 H GLN 5 H GLN 5 -7.814 17.763 5.147 42 HA GLN 5 HA GLN 5 -7.124 15.023 4.981 43 1HB GLN 5 2HB GLN 5 -5.073 15.114 6.383 44 2HB GLN 5 1HB GLN 5 -4.825 15.881 4.822 45 1HG GLN 5 2HG GLN 5 -5.037 18.059 5.814 46 2HG GLN 5 1HG GLN 5 -5.443 17.349 7.368 47 1HE2 GLN 5 1HE2 GLN 5 -3.380 19.142 6.666 48 2HE2 GLN 5 2HE2 GLN 5 -1.869 18.426 7.110 49 H LYS 6 H LYS 6 -7.925 14.022 6.700 50 HA LYS 6 HA LYS 6 -8.975 15.700 8.890 51 1HB LYS 6 2HB LYS 6 -10.005 13.058 7.821 52 2HB LYS 6 1HB LYS 6 -10.729 13.998 9.116 53 1HG LYS 6 2HG LYS 6 -11.322 15.759 7.593 54 2HG LYS 6 1HG LYS 6 -10.437 14.974 6.283 55 1HD LYS 6 2HD LYS 6 -12.804 14.568 6.021 56 2HD LYS 6 1HD LYS 6 -11.986 13.061 6.423 57 1HE LYS 6 2HE LYS 6 -14.040 13.203 7.660 58 2HE LYS 6 1HE LYS 6 -12.688 13.366 8.777 59 1HZ LYS 6 1HZ LYS 6 -13.053 15.770 8.807 60 2HZ LYS 6 2HZ LYS 6 -14.459 14.962 9.225 61 3HZ LYS 6 3HZ LYS 6 -14.294 15.595 7.675 62 H GLU 7 H GLU 7 -7.329 12.830 7.867 63 HA GLU 7 HA GLU 7 -6.217 12.293 10.513 64 1HB GLU 7 2HB GLU 7 -7.698 10.388 8.680 65 2HB GLU 7 1HB GLU 7 -6.572 9.835 9.900 66 1HG GLU 7 2HG GLU 7 -8.891 11.555 10.665 67 2HG GLU 7 1HG GLU 7 -9.117 9.830 10.370 68 H LYS 8 H LYS 8 -4.442 10.498 10.039 69 HA LYS 8 HA LYS 8 -3.175 11.036 7.447 70 1HB LYS 8 2HB LYS 8 -2.100 9.706 9.969 71 2HB LYS 8 1HB LYS 8 -1.226 9.708 8.450 72 1HG LYS 8 2HG LYS 8 -0.294 11.410 9.832 73 2HG LYS 8 1HG LYS 8 -1.205 12.210 8.558 74 1HD LYS 8 2HD LYS 8 -3.078 12.520 10.138 75 2HD LYS 8 1HD LYS 8 -2.108 11.760 11.400 76 1HE LYS 8 2HE LYS 8 -1.380 14.277 9.908 77 2HE LYS 8 1HE LYS 8 -2.068 14.215 11.526 78 1HZ LYS 8 1HZ LYS 8 0.591 13.109 10.734 79 2HZ LYS 8 2HZ LYS 8 -0.119 13.033 12.273 80 3HZ LYS 8 3HZ LYS 8 0.275 14.524 11.614 81 H GLU 9 H GLU 9 -5.311 9.213 8.810 82 HA GLU 9 HA GLU 9 -6.486 7.465 8.339 83 1HB GLU 9 2HB GLU 9 -4.952 7.399 5.760 84 2HB GLU 9 1HB GLU 9 -6.371 6.412 6.105 85 1HG GLU 9 2HG GLU 9 -7.697 8.445 6.442 86 2HG GLU 9 1HG GLU 9 -6.280 9.423 6.065 87 H LYS 10 H LYS 10 -5.886 6.461 9.996 88 HA LYS 10 HA LYS 10 -4.018 4.197 9.708 89 1HB LYS 10 2HB LYS 10 -3.567 5.993 11.475 90 2HB LYS 10 1HB LYS 10 -5.069 5.506 12.235 91 1HG LYS 10 2HG LYS 10 -4.097 3.202 12.466 92 2HG LYS 10 1HG LYS 10 -2.558 3.874 11.919 93 1HD LYS 10 2HD LYS 10 -2.578 3.835 14.325 94 2HD LYS 10 1HD LYS 10 -2.679 5.513 13.784 95 1HE LYS 10 2HE LYS 10 -5.150 5.388 14.063 96 2HE LYS 10 1HE LYS 10 -4.950 3.778 14.749 97 1HZ LYS 10 1HZ LYS 10 -5.128 5.336 16.500 98 2HZ LYS 10 2HZ LYS 10 -3.948 6.334 15.847 99 3HZ LYS 10 3HZ LYS 10 -3.526 4.802 16.466 100 H LYS 11 H LYS 11 -6.758 4.632 8.835 101 HA LYS 11 HA LYS 11 -8.433 2.993 10.568 102 1HB LYS 11 2HB LYS 11 -9.164 5.144 9.343 103 2HB LYS 11 1HB LYS 11 -9.172 4.169 7.886 104 1HG LYS 11 2HG LYS 11 -11.401 4.290 8.701 105 2HG LYS 11 1HG LYS 11 -10.812 2.653 9.004 106 1HD LYS 11 2HD LYS 11 -10.333 3.248 11.325 107 2HD LYS 11 1HD LYS 11 -10.891 4.895 11.026 108 1HE LYS 11 2HE LYS 11 -13.115 3.958 10.419 109 2HE LYS 11 1HE LYS 11 -12.527 2.367 10.897 110 1HZ LYS 11 1HZ LYS 11 -12.180 3.252 13.167 111 2HZ LYS 11 2HZ LYS 11 -13.779 3.440 12.678 112 3HZ LYS 11 3HZ LYS 11 -12.747 4.747 12.644 113 H GLU 12 H GLU 12 -6.081 2.401 8.548 114 HA GLU 12 HA GLU 12 -7.210 0.403 6.814 115 1HB GLU 12 2HB GLU 12 -4.624 0.168 6.303 116 2HB GLU 12 1HB GLU 12 -5.557 1.496 5.654 117 1HG GLU 12 2HG GLU 12 -3.413 2.306 6.429 118 2HG GLU 12 1HG GLU 12 -4.690 2.973 7.429 119 H GLN 13 H GLN 13 -7.806 -0.320 9.202 120 HA GLN 13 HA GLN 13 -5.880 -1.577 10.794 121 1HB GLN 13 2HB GLN 13 -8.842 -2.131 10.789 122 2HB GLN 13 1HB GLN 13 -7.723 -2.488 12.096 123 1HG GLN 13 2HG GLN 13 -7.306 -0.111 12.408 124 2HG GLN 13 1HG GLN 13 -8.388 0.259 11.067 125 1HE2 GLN 13 1HE2 GLN 13 -10.624 -0.106 11.333 126 2HE2 GLN 13 2HE2 GLN 13 -11.327 -0.171 12.908 127 H GLU 14 H GLU 14 -7.716 -2.763 8.220 128 HA GLU 14 HA GLU 14 -7.249 -5.525 8.718 129 1HB GLU 14 2HB GLU 14 -8.149 -4.071 6.269 130 2HB GLU 14 1HB GLU 14 -7.744 -5.781 6.200 131 1HG GLU 14 2HG GLU 14 -9.808 -4.523 7.980 132 2HG GLU 14 1HG GLU 14 -10.120 -5.461 6.517 133 H ILE 15 H ILE 15 -5.261 -3.084 7.266 134 HA ILE 15 HA ILE 15 -3.697 -4.990 5.773 135 HB ILE 15 HB ILE 15 -2.395 -3.152 5.005 136 1HG1 ILE 15 2HG1 ILE 15 -3.128 -0.795 6.417 137 2HG1 ILE 15 1HG1 ILE 15 -3.006 -2.027 7.616 138 1HG2 ILE 15 1HG2 ILE 15 -5.171 -2.100 5.491 139 2HG2 ILE 15 2HG2 ILE 15 -4.637 -3.096 4.134 140 3HG2 ILE 15 3HG2 ILE 15 -4.024 -1.454 4.315 141 1HD1 ILE 15 1HD1 ILE 15 -0.773 -1.402 5.717 142 2HD1 ILE 15 2HD1 ILE 15 -0.742 -2.555 7.053 143 3HD1 ILE 15 3HD1 ILE 15 -0.902 -0.828 7.381 144 H LYS 16 H LYS 16 -3.797 -3.574 8.821 145 HA LYS 16 HA LYS 16 -1.094 -3.721 9.514 146 1HB LYS 16 2HB LYS 16 -3.339 -3.678 11.505 147 2HB LYS 16 1HB LYS 16 -1.747 -2.938 11.633 148 1HG LYS 16 2HG LYS 16 -2.354 -1.345 9.875 149 2HG LYS 16 1HG LYS 16 -3.952 -2.077 9.775 150 1HD LYS 16 2HD LYS 16 -4.355 -0.284 11.133 151 2HD LYS 16 1HD LYS 16 -4.033 -1.555 12.314 152 1HE LYS 16 2HE LYS 16 -2.836 0.475 12.917 153 2HE LYS 16 1HE LYS 16 -1.684 -0.779 12.438 154 1HZ LYS 16 1HZ LYS 16 -1.507 0.238 10.263 155 2HZ LYS 16 2HZ LYS 16 -1.224 1.467 11.379 156 3HZ LYS 16 3HZ LYS 16 -2.716 1.300 10.605 157 H LYS 17 H LYS 17 -3.843 -5.688 10.065 158 HA LYS 17 HA LYS 17 -2.371 -7.622 11.614 159 1HB LYS 17 2HB LYS 17 -4.666 -7.031 12.223 160 2HB LYS 17 1HB LYS 17 -5.244 -7.539 10.656 161 1HG LYS 17 2HG LYS 17 -3.909 -9.513 12.464 162 2HG LYS 17 1HG LYS 17 -5.576 -9.028 12.761 163 1HD LYS 17 2HD LYS 17 -6.211 -9.787 10.537 164 2HD LYS 17 1HD LYS 17 -4.528 -10.189 10.178 165 1HE LYS 17 2HE LYS 17 -4.517 -11.872 11.900 166 2HE LYS 17 1HE LYS 17 -6.139 -11.411 12.411 167 1HZ LYS 17 1HZ LYS 17 -6.081 -13.410 11.035 168 2HZ LYS 17 2HZ LYS 17 -5.500 -12.511 9.713 169 3HZ LYS 17 3HZ LYS 17 -7.026 -12.187 10.362 170 H LYS 18 H LYS 18 -3.163 -7.078 8.330 171 HA LYS 18 HA LYS 18 -3.173 -9.822 7.501 172 1HB LYS 18 2HB LYS 18 -4.132 -7.581 6.401 173 2HB LYS 18 1HB LYS 18 -2.592 -7.660 5.562 174 1HG LYS 18 2HG LYS 18 -4.162 -8.716 4.161 175 2HG LYS 18 1HG LYS 18 -3.220 -10.017 4.894 176 1HD LYS 18 2HD LYS 18 -5.648 -10.510 4.852 177 2HD LYS 18 1HD LYS 18 -5.008 -10.444 6.497 178 1HE LYS 18 2HE LYS 18 -5.889 -8.198 6.788 179 2HE LYS 18 1HE LYS 18 -6.421 -8.153 5.112 180 1HZ LYS 18 1HZ LYS 18 -7.461 -10.162 7.039 181 2HZ LYS 18 2HZ LYS 18 -8.131 -9.663 5.553 182 3HZ LYS 18 3HZ LYS 18 -8.154 -8.635 6.861 183 H PHE 19 H PHE 19 -0.844 -7.105 7.201 184 HA PHE 19 HA PHE 19 1.153 -9.001 6.221 185 1HB PHE 19 2HB PHE 19 0.770 -6.663 5.155 186 2HB PHE 19 1HB PHE 19 1.558 -6.013 6.584 187 HD1 PHE 19 1HD PHE 19 3.943 -6.820 7.081 188 HD2 PHE 19 2HD PHE 19 2.024 -7.324 3.337 189 HE1 PHE 19 1HE PHE 19 6.125 -7.013 6.000 190 HE2 PHE 19 2HE PHE 19 4.215 -7.521 2.251 191 HZ PHE 19 HZ PHE 19 6.293 -7.334 3.597 192 H LYS 20 H LYS 20 0.268 -7.236 9.051 193 HA LYS 20 HA LYS 20 1.005 -7.097 11.146 194 1HB LYS 20 2HB LYS 20 1.384 -9.632 10.886 195 2HB LYS 20 1HB LYS 20 3.045 -9.273 10.485 196 1HG LYS 20 2HG LYS 20 1.733 -8.685 13.153 197 2HG LYS 20 1HG LYS 20 2.704 -10.101 12.802 198 1HD LYS 20 2HD LYS 20 3.659 -7.229 12.779 199 2HD LYS 20 1HD LYS 20 3.965 -8.405 14.051 200 1HE LYS 20 2HE LYS 20 4.917 -8.624 11.190 201 2HE LYS 20 1HE LYS 20 5.897 -8.078 12.544 202 1HZ LYS 20 1HZ LYS 20 5.596 -10.259 13.559 203 2HZ LYS 20 2HZ LYS 20 6.361 -10.310 12.041 204 3HZ LYS 20 3HZ LYS 20 4.757 -10.806 12.170 205 H LEU 21 H LEU 21 1.660 -5.061 11.025 206 HA LEU 21 HA LEU 21 4.412 -4.654 10.165 207 1HB LEU 21 2HB LEU 21 2.418 -2.433 10.605 208 2HB LEU 21 1HB LEU 21 3.997 -2.359 9.937 209 HG LEU 21 HG LEU 21 2.661 -2.218 8.053 210 1HD1 LEU 21 1HD1 LEU 21 4.513 -3.702 7.763 211 2HD1 LEU 21 2HD1 LEU 21 3.125 -4.272 6.811 212 3HD1 LEU 21 3HD1 LEU 21 3.533 -5.054 8.330 213 1HD2 LEU 21 1HD2 LEU 21 1.067 -4.614 9.004 214 2HD2 LEU 21 2HD2 LEU 21 0.865 -3.792 7.467 215 3HD2 LEU 21 3HD2 LEU 21 0.501 -2.943 8.963 216 H THR 22 H THR 22 2.264 -3.958 12.785 217 HA THR 22 HA THR 22 2.451 -3.274 14.818 218 HB THR 22 HB THR 22 4.471 -3.752 16.246 219 HG1 THR 22 1HG THR 22 5.635 -4.212 13.748 220 1HG2 THR 22 1HG2 THR 22 4.392 -6.186 16.012 221 2HG2 THR 22 2HG2 THR 22 3.618 -5.991 14.438 222 3HG2 THR 22 3HG2 THR 22 2.789 -5.453 15.897 223 H GLY 23 H GLY 23 5.661 -2.128 13.673 224 1HA GLY 23 2HA GLY 23 4.729 0.548 14.454 225 2HA GLY 23 1HA GLY 23 6.411 0.027 14.493 226 HA PRO 24 HA PRO 24 4.914 0.960 9.962 227 1HB PRO 24 2HB PRO 24 3.786 3.433 9.848 228 2HB PRO 24 1HB PRO 24 2.839 1.949 9.999 229 1HG PRO 24 2HG PRO 24 3.639 3.911 12.104 230 2HG PRO 24 1HG PRO 24 2.100 3.058 11.871 231 1HD PRO 24 2HD PRO 24 3.977 2.294 13.688 232 2HD PRO 24 1HD PRO 24 2.861 1.146 12.909 233 H ILE 25 H ILE 25 6.359 1.875 8.715 234 HA ILE 25 HA ILE 25 8.165 3.888 9.872 235 HB ILE 25 HB ILE 25 9.954 2.929 8.460 236 1HG1 ILE 25 2HG1 ILE 25 7.971 0.720 7.840 237 2HG1 ILE 25 1HG1 ILE 25 8.462 1.971 6.705 238 1HG2 ILE 25 1HG2 ILE 25 10.299 0.865 9.749 239 2HG2 ILE 25 2HG2 ILE 25 8.623 0.936 10.291 240 3HG2 ILE 25 3HG2 ILE 25 9.758 2.203 10.762 241 1HD1 ILE 25 1HD1 ILE 25 10.756 1.159 6.817 242 2HD1 ILE 25 2HD1 ILE 25 9.635 -0.100 6.293 243 3HD1 ILE 25 3HD1 ILE 25 10.252 -0.097 7.950 244 H GLN 26 H GLN 26 9.559 4.610 7.627 245 HA GLN 26 HA GLN 26 7.437 5.875 6.059 246 1HB GLN 26 2HB GLN 26 9.082 7.508 5.344 247 2HB GLN 26 1HB GLN 26 9.179 7.365 7.090 248 1HG GLN 26 2HG GLN 26 11.167 5.959 6.861 249 2HG GLN 26 1HG GLN 26 11.051 6.082 5.112 250 1HE2 GLN 26 1HE2 GLN 26 10.437 8.749 7.320 251 2HE2 GLN 26 2HE2 GLN 26 11.804 9.677 6.878 252 H VAL 27 H VAL 27 8.077 6.181 3.681 253 HA VAL 27 HA VAL 27 8.194 3.685 2.476 254 HB VAL 27 HB VAL 27 7.184 5.535 1.296 255 1HG1 VAL 27 1HG1 VAL 27 8.507 7.326 0.291 256 2HG1 VAL 27 2HG1 VAL 27 9.952 6.688 1.080 257 3HG1 VAL 27 3HG1 VAL 27 8.634 7.351 2.059 258 1HG2 VAL 27 1HG2 VAL 27 8.046 3.755 -0.068 259 2HG2 VAL 27 2HG2 VAL 27 9.617 4.551 -0.153 260 3HG2 VAL 27 3HG2 VAL 27 8.206 5.299 -0.903 261 H ILE 28 H ILE 28 9.697 2.451 1.718 262 HA ILE 28 HA ILE 28 12.463 3.086 2.321 263 HB ILE 28 HB ILE 28 11.203 0.536 1.265 264 1HG1 ILE 28 2HG1 ILE 28 10.488 1.052 3.546 265 2HG1 ILE 28 1HG1 ILE 28 11.542 -0.352 3.525 266 1HG2 ILE 28 1HG2 ILE 28 14.012 0.999 2.248 267 2HG2 ILE 28 2HG2 ILE 28 13.531 0.671 0.584 268 3HG2 ILE 28 3HG2 ILE 28 13.320 -0.567 1.824 269 1HD1 ILE 28 1HD1 ILE 28 12.335 2.447 4.316 270 2HD1 ILE 28 2HD1 ILE 28 13.402 1.042 4.303 271 3HD1 ILE 28 3HD1 ILE 28 12.032 1.100 5.414 272 H HIS 29 H HIS 29 10.338 2.588 -0.450 273 HA HIS 29 HA HIS 29 12.183 3.740 -2.308 274 1HB HIS 29 2HB HIS 29 11.617 0.773 -2.493 275 2HB HIS 29 1HB HIS 29 12.085 1.725 -3.881 276 HD1 HIS 29 1HD HIS 29 13.488 -0.567 -1.546 277 HD2 HIS 29 2HD HIS 29 14.789 3.064 -3.131 278 HE1 HIS 29 1HE HIS 29 15.951 -0.539 -1.244 279 HE2 HIS 29 2HE HIS 29 16.661 1.759 -1.951 280 H LEU 30 H LEU 30 11.158 3.990 -4.358 281 HA LEU 30 HA LEU 30 8.280 3.724 -4.094 282 1HB LEU 30 2HB LEU 30 9.972 5.587 -5.775 283 2HB LEU 30 1HB LEU 30 8.277 5.301 -6.111 284 HG LEU 30 HG LEU 30 7.630 6.274 -3.976 285 1HD1 LEU 30 1HD1 LEU 30 9.552 5.672 -2.613 286 2HD1 LEU 30 2HD1 LEU 30 9.222 7.403 -2.531 287 3HD1 LEU 30 3HD1 LEU 30 10.557 6.804 -3.518 288 1HD2 LEU 30 1HD2 LEU 30 7.834 7.720 -5.895 289 2HD2 LEU 30 2HD2 LEU 30 9.533 8.007 -5.520 290 3HD2 LEU 30 3HD2 LEU 30 8.279 8.579 -4.420 291 H ALA 31 H ALA 31 7.432 2.206 -5.069 292 HA ALA 31 HA ALA 31 8.914 0.797 -7.155 293 1HB ALA 31 1HB ALA 31 6.386 -0.073 -5.754 294 2HB ALA 31 2HB ALA 31 8.033 -0.604 -5.354 295 3HB ALA 31 3HB ALA 31 7.330 -1.008 -6.911 296 H LYS 32 H LYS 32 7.898 0.158 -9.017 297 HA LYS 32 HA LYS 32 5.909 2.093 -9.913 298 1HB LYS 32 2HB LYS 32 8.092 2.111 -11.108 299 2HB LYS 32 1HB LYS 32 7.863 0.412 -11.499 300 1HG LYS 32 2HG LYS 32 5.814 1.032 -12.743 301 2HG LYS 32 1HG LYS 32 6.192 2.729 -12.442 302 1HD LYS 32 2HD LYS 32 8.308 2.482 -13.610 303 2HD LYS 32 1HD LYS 32 7.974 0.766 -13.868 304 1HE LYS 32 2HE LYS 32 5.931 1.422 -15.106 305 2HE LYS 32 1HE LYS 32 6.434 3.105 -14.956 306 1HZ LYS 32 1HZ LYS 32 8.481 2.512 -16.172 307 2HZ LYS 32 2HZ LYS 32 7.059 2.254 -17.056 308 3HZ LYS 32 3HZ LYS 32 7.874 0.941 -16.400 309 H ALA 33 H ALA 33 3.943 1.228 -10.339 310 HA ALA 33 HA ALA 33 3.407 -1.493 -9.957 311 1HB ALA 33 1HB ALA 33 1.851 0.544 -11.530 312 2HB ALA 33 2HB ALA 33 1.643 0.181 -9.807 313 3HB ALA 33 3HB ALA 33 1.270 -1.029 -11.028 314 H CYS 34 H CYS 34 4.059 -3.054 -11.173 315 HA CYS 34 HA CYS 34 5.101 -2.642 -13.814 316 1HB CYS 34 2HB CYS 34 6.141 -4.156 -12.135 317 2HB CYS 34 1HB CYS 34 4.718 -5.179 -12.205 318 HG CYS 34 HG CYS 34 7.307 -4.896 -14.263 319 H CYS 35 H CYS 35 2.045 -3.266 -12.530 320 HA CYS 35 HA CYS 35 0.938 -3.757 -15.113 321 1HB CYS 35 2HB CYS 35 -0.240 -5.844 -14.369 322 2HB CYS 35 1HB CYS 35 1.498 -6.034 -14.591 323 HG CYS 35 HG CYS 35 1.612 -5.365 -11.620 324 H ASP 36 H ASP 36 -1.482 -3.998 -14.831 325 HA ASP 36 HA ASP 36 -2.367 -2.246 -12.659 326 1HB ASP 36 2HB ASP 36 -4.317 -1.631 -14.025 327 2HB ASP 36 1HB ASP 36 -2.823 -1.282 -14.867 328 H VAL 37 H VAL 37 -3.051 -3.319 -11.090 329 HA VAL 37 HA VAL 37 -4.851 -5.619 -11.518 330 HB VAL 37 HB VAL 37 -2.599 -6.122 -10.487 331 1HG1 VAL 37 1HG1 VAL 37 -2.248 -5.590 -8.157 332 2HG1 VAL 37 2HG1 VAL 37 -3.692 -4.566 -8.206 333 3HG1 VAL 37 3HG1 VAL 37 -2.299 -4.185 -9.216 334 1HG2 VAL 37 1HG2 VAL 37 -3.408 -7.577 -8.711 335 2HG2 VAL 37 2HG2 VAL 37 -4.406 -7.685 -10.163 336 3HG2 VAL 37 3HG2 VAL 37 -4.972 -6.765 -8.762 337 H LYS 38 H LYS 38 -6.642 -5.809 -9.776 338 HA LYS 38 HA LYS 38 -7.173 -3.133 -8.766 339 1HB LYS 38 2HB LYS 38 -9.620 -3.535 -8.887 340 2HB LYS 38 1HB LYS 38 -8.839 -3.534 -10.448 341 1HG LYS 38 2HG LYS 38 -9.491 -6.100 -9.030 342 2HG LYS 38 1HG LYS 38 -10.704 -5.237 -9.970 343 1HD LYS 38 2HD LYS 38 -9.200 -5.373 -11.941 344 2HD LYS 38 1HD LYS 38 -8.068 -6.318 -10.970 345 1HE LYS 38 2HE LYS 38 -9.754 -8.044 -10.653 346 2HE LYS 38 1HE LYS 38 -10.925 -7.087 -11.556 347 1HZ LYS 38 1HZ LYS 38 -9.547 -7.297 -13.511 348 2HZ LYS 38 2HZ LYS 38 -9.938 -8.831 -12.920 349 3HZ LYS 38 3HZ LYS 38 -8.396 -8.188 -12.669 350 H GLY 39 H GLY 39 -5.869 -5.475 -7.496 351 1HA GLY 39 2HA GLY 39 -5.597 -5.897 -5.223 352 2HA GLY 39 1HA GLY 39 -7.038 -4.974 -4.893 353 H GLY 40 H GLY 40 -6.186 -8.067 -6.480 354 1HA GLY 40 2HA GLY 40 -8.621 -9.210 -5.299 355 2HA GLY 40 1HA GLY 40 -7.714 -9.892 -6.649 356 H LYS 41 H LYS 41 -8.536 -11.063 -4.005 357 HA LYS 41 HA LYS 41 -7.738 -12.475 -2.433 358 1HB LYS 41 2HB LYS 41 -5.263 -12.406 -4.184 359 2HB LYS 41 1HB LYS 41 -5.446 -13.483 -2.805 360 1HG LYS 41 2HG LYS 41 -7.308 -14.585 -3.857 361 2HG LYS 41 1HG LYS 41 -7.275 -13.437 -5.195 362 1HD LYS 41 2HD LYS 41 -5.075 -14.230 -5.849 363 2HD LYS 41 1HD LYS 41 -5.044 -15.330 -4.468 364 1HE LYS 41 2HE LYS 41 -7.121 -15.421 -6.645 365 2HE LYS 41 1HE LYS 41 -5.648 -16.389 -6.652 366 1HZ LYS 41 1HZ LYS 41 -7.606 -17.567 -5.803 367 2HZ LYS 41 2HZ LYS 41 -7.699 -16.530 -4.466 368 3HZ LYS 41 3HZ LYS 41 -6.340 -17.512 -4.701 369 H ASN 42 H ASN 42 -7.671 -9.741 -2.067 370 HA ASN 42 HA ASN 42 -7.015 -8.123 -0.710 371 1HB ASN 42 2HB ASN 42 -5.462 -10.289 0.755 372 2HB ASN 42 1HB ASN 42 -5.715 -8.658 1.358 373 1HD2 ASN 42 1HD2 ASN 42 -8.471 -8.473 0.470 374 2HD2 ASN 42 2HD2 ASN 42 -9.401 -9.530 1.460 375 H GLU 43 H GLU 43 -6.012 -7.122 -2.410 376 HA GLU 43 HA GLU 43 -3.150 -6.988 -2.074 377 1HB GLU 43 2HB GLU 43 -3.986 -8.560 -4.075 378 2HB GLU 43 1HB GLU 43 -4.267 -7.031 -4.854 379 1HG GLU 43 2HG GLU 43 -1.980 -6.408 -4.776 380 2HG GLU 43 1HG GLU 43 -1.587 -7.750 -3.701 381 H LEU 44 H LEU 44 -2.486 -5.085 -3.698 382 HA LEU 44 HA LEU 44 -4.099 -2.796 -2.981 383 1HB LEU 44 2HB LEU 44 -1.639 -2.930 -2.683 384 2HB LEU 44 1HB LEU 44 -1.463 -3.110 -4.411 385 HG LEU 44 HG LEU 44 -2.386 -0.835 -4.707 386 1HD1 LEU 44 1HD1 LEU 44 -3.702 -0.730 -2.679 387 2HD1 LEU 44 2HD1 LEU 44 -2.524 0.597 -2.770 388 3HD1 LEU 44 3HD1 LEU 44 -2.210 -0.787 -1.721 389 1HD2 LEU 44 1HD2 LEU 44 -0.412 0.329 -3.882 390 2HD2 LEU 44 2HD2 LEU 44 0.007 -1.215 -4.626 391 3HD2 LEU 44 3HD2 LEU 44 -0.016 -1.059 -2.868 392 H SER 45 H SER 45 -5.056 -1.486 -4.519 393 HA SER 45 HA SER 45 -5.367 -2.572 -7.196 394 1HB SER 45 2HB SER 45 -6.695 -0.184 -5.913 395 2HB SER 45 1HB SER 45 -7.249 -1.077 -7.333 396 HG SER 45 HG SER 45 -7.946 -2.700 -6.064 397 H PHE 46 H PHE 46 -4.057 -1.766 -8.772 398 HA PHE 46 HA PHE 46 -3.349 1.006 -8.756 399 1HB PHE 46 2HB PHE 46 -0.887 0.513 -8.964 400 2HB PHE 46 1HB PHE 46 -1.583 0.354 -7.360 401 HD1 PHE 46 1HD PHE 46 -1.576 -1.727 -6.233 402 HD2 PHE 46 2HD PHE 46 -0.267 -1.502 -10.255 403 HE1 PHE 46 1HE PHE 46 -0.596 -3.960 -6.032 404 HE2 PHE 46 2HE PHE 46 0.721 -3.741 -10.065 405 HZ PHE 46 HZ PHE 46 0.552 -4.975 -7.947 406 H LYS 47 H LYS 47 -2.270 1.682 -10.634 407 HA LYS 47 HA LYS 47 -2.861 -0.046 -12.932 408 1HB LYS 47 2HB LYS 47 -2.784 2.943 -12.616 409 2HB LYS 47 1HB LYS 47 -2.733 2.176 -14.192 410 1HG LYS 47 2HG LYS 47 -4.930 1.725 -12.195 411 2HG LYS 47 1HG LYS 47 -4.988 2.959 -13.461 412 1HD LYS 47 2HD LYS 47 -4.700 1.210 -15.155 413 2HD LYS 47 1HD LYS 47 -4.669 -0.009 -13.882 414 1HE LYS 47 2HE LYS 47 -6.983 1.845 -14.419 415 2HE LYS 47 1HE LYS 47 -6.849 0.211 -15.061 416 1HZ LYS 47 1HZ LYS 47 -6.801 -0.627 -12.787 417 2HZ LYS 47 2HZ LYS 47 -8.201 0.236 -13.113 418 3HZ LYS 47 3HZ LYS 47 -6.991 0.949 -12.177 419 H GLN 48 H GLN 48 -1.370 -0.300 -14.485 420 HA GLN 48 HA GLN 48 1.317 -0.523 -13.945 421 1HB GLN 48 2HB GLN 48 0.067 -1.519 -15.867 422 2HB GLN 48 1HB GLN 48 0.050 0.042 -16.644 423 1HG GLN 48 2HG GLN 48 2.592 -1.473 -16.036 424 2HG GLN 48 1HG GLN 48 1.680 -1.697 -17.516 425 1HE2 GLN 48 1HE2 GLN 48 4.008 0.204 -15.882 426 2HE2 GLN 48 2HE2 GLN 48 4.232 1.374 -17.138 427 H GLY 49 H GLY 49 2.804 0.889 -13.478 428 1HA GLY 49 2HA GLY 49 4.190 2.744 -13.627 429 2HA GLY 49 1HA GLY 49 3.187 3.344 -14.935 430 H GLU 50 H GLU 50 1.428 2.578 -12.090 431 HA GLU 50 HA GLU 50 0.580 5.244 -11.690 432 1HB GLU 50 2HB GLU 50 -0.582 3.014 -10.988 433 2HB GLU 50 1HB GLU 50 0.444 3.132 -9.594 434 1HG GLU 50 2HG GLU 50 -0.439 5.284 -8.992 435 2HG GLU 50 1HG GLU 50 -1.490 5.267 -10.404 436 H GLN 51 H GLN 51 3.008 3.329 -10.268 437 HA GLN 51 HA GLN 51 4.748 3.684 -8.885 438 1HB GLN 51 2HB GLN 51 5.166 5.912 -9.773 439 2HB GLN 51 1HB GLN 51 3.853 6.582 -8.820 440 1HG GLN 51 2HG GLN 51 5.090 6.155 -6.780 441 2HG GLN 51 1HG GLN 51 6.392 5.408 -7.708 442 1HE2 GLN 51 1HE2 GLN 51 7.772 6.690 -8.893 443 2HE2 GLN 51 2HE2 GLN 51 7.843 8.392 -8.709 444 H ILE 52 H ILE 52 4.914 2.947 -7.022 445 HA ILE 52 HA ILE 52 2.754 3.260 -5.049 446 HB ILE 52 HB ILE 52 4.321 0.757 -5.742 447 1HG1 ILE 52 2HG1 ILE 52 1.692 1.756 -6.822 448 2HG1 ILE 52 1HG1 ILE 52 3.082 1.054 -7.612 449 1HG2 ILE 52 1HG2 ILE 52 3.531 0.750 -3.452 450 2HG2 ILE 52 2HG2 ILE 52 2.654 -0.442 -4.412 451 3HG2 ILE 52 3HG2 ILE 52 1.887 1.089 -3.995 452 1HD1 ILE 52 1HD1 ILE 52 2.531 -1.137 -6.795 453 2HD1 ILE 52 2HD1 ILE 52 1.145 -0.411 -7.626 454 3HD1 ILE 52 3HD1 ILE 52 1.187 -0.458 -5.876 455 H GLU 53 H GLU 53 3.703 2.841 -2.820 456 HA GLU 53 HA GLU 53 6.633 3.202 -2.846 457 1HB GLU 53 2HB GLU 53 4.899 3.898 -0.494 458 2HB GLU 53 1HB GLU 53 6.545 4.287 -0.882 459 1HG GLU 53 2HG GLU 53 5.971 5.808 -2.584 460 2HG GLU 53 1HG GLU 53 4.256 5.419 -2.454 461 H ILE 54 H ILE 54 7.824 1.706 -1.777 462 HA ILE 54 HA ILE 54 6.326 -0.472 -0.552 463 HB ILE 54 HB ILE 54 8.046 -1.156 -2.226 464 1HG1 ILE 54 2HG1 ILE 54 9.305 -2.794 -0.806 465 2HG1 ILE 54 1HG1 ILE 54 8.658 -1.961 0.601 466 1HG2 ILE 54 1HG2 ILE 54 10.067 0.006 -0.346 467 2HG2 ILE 54 2HG2 ILE 54 9.644 0.623 -1.943 468 3HG2 ILE 54 3HG2 ILE 54 10.414 -0.955 -1.785 469 1HD1 ILE 54 1HD1 ILE 54 7.409 -3.943 0.082 470 2HD1 ILE 54 2HD1 ILE 54 7.060 -3.318 -1.531 471 3HD1 ILE 54 3HD1 ILE 54 6.416 -2.498 -0.104 472 H ILE 55 H ILE 55 6.195 -0.727 1.531 473 HA ILE 55 HA ILE 55 7.988 0.871 3.185 474 HB ILE 55 HB ILE 55 6.181 0.535 5.038 475 1HG1 ILE 55 2HG1 ILE 55 4.768 -0.901 3.391 476 2HG1 ILE 55 1HG1 ILE 55 3.882 0.213 4.400 477 1HG2 ILE 55 1HG2 ILE 55 5.893 2.565 2.854 478 2HG2 ILE 55 2HG2 ILE 55 6.903 2.669 4.297 479 3HG2 ILE 55 3HG2 ILE 55 5.145 2.675 4.448 480 1HD1 ILE 55 1HD1 ILE 55 3.826 1.786 2.470 481 2HD1 ILE 55 2HD1 ILE 55 3.032 0.245 2.154 482 3HD1 ILE 55 3HD1 ILE 55 4.640 0.557 1.501 483 H ARG 56 H ARG 56 6.238 -2.256 3.365 484 HA ARG 56 HA ARG 56 8.474 -3.026 5.083 485 1HB ARG 56 2HB ARG 56 6.155 -3.001 6.252 486 2HB ARG 56 1HB ARG 56 5.743 -4.280 5.149 487 1HG ARG 56 2HG ARG 56 6.376 -5.591 6.875 488 2HG ARG 56 1HG ARG 56 7.922 -5.395 6.095 489 1HD ARG 56 2HD ARG 56 7.006 -3.706 8.437 490 2HD ARG 56 1HD ARG 56 7.932 -5.172 8.573 491 HE ARG 56 HE ARG 56 9.494 -3.722 6.938 492 1HH1 ARG 56 1HH1 ARG 56 7.888 -2.660 9.908 493 2HH1 ARG 56 2HH1 ARG 56 9.266 -1.888 10.543 494 1HH2 ARG 56 1HH2 ARG 56 11.374 -2.599 7.815 495 2HH2 ARG 56 2HH2 ARG 56 11.249 -1.820 9.323 496 H ILE 57 H ILE 57 9.707 -4.353 4.213 497 HA ILE 57 HA ILE 57 8.714 -6.375 2.324 498 HB ILE 57 HB ILE 57 11.196 -6.570 1.615 499 1HG1 ILE 57 2HG1 ILE 57 12.056 -4.966 3.381 500 2HG1 ILE 57 1HG1 ILE 57 12.641 -4.670 1.749 501 1HG2 ILE 57 1HG2 ILE 57 9.575 -4.226 0.699 502 2HG2 ILE 57 2HG2 ILE 57 9.526 -5.880 0.087 503 3HG2 ILE 57 3HG2 ILE 57 10.970 -4.897 -0.146 504 1HD1 ILE 57 1HD1 ILE 57 11.009 -2.877 1.497 505 2HD1 ILE 57 2HD1 ILE 57 12.047 -2.583 2.922 506 3HD1 ILE 57 3HD1 ILE 57 10.408 -3.221 3.111 507 H THR 58 H THR 58 10.442 -5.661 5.218 508 HA THR 58 HA THR 58 11.613 -8.239 5.417 509 HB THR 58 HB THR 58 12.388 -7.273 7.615 510 HG1 THR 58 1HG THR 58 11.825 -5.278 8.126 511 1HG2 THR 58 1HG2 THR 58 13.739 -7.167 5.580 512 2HG2 THR 58 2HG2 THR 58 13.935 -5.692 6.548 513 3HG2 THR 58 3HG2 THR 58 12.903 -5.684 5.113 514 H ASP 59 H ASP 59 10.930 -9.849 6.620 515 HA ASP 59 HA ASP 59 9.714 -11.205 7.918 516 1HB ASP 59 2HB ASP 59 10.191 -9.472 9.683 517 2HB ASP 59 1HB ASP 59 8.641 -8.727 9.315 518 H ASN 60 H ASN 60 8.726 -10.302 5.472 519 HA ASN 60 HA ASN 60 5.916 -9.938 5.627 520 1HB ASN 60 2HB ASN 60 5.849 -10.542 3.212 521 2HB ASN 60 1HB ASN 60 7.069 -9.329 3.555 522 1HD2 ASN 60 1HD2 ASN 60 9.220 -9.808 3.129 523 2HD2 ASN 60 2HD2 ASN 60 9.692 -11.263 2.341 524 HA PRO 61 HA PRO 61 5.032 -14.107 6.770 525 1HB PRO 61 2HB PRO 61 2.375 -13.908 7.038 526 2HB PRO 61 1HB PRO 61 3.490 -13.132 8.167 527 1HG PRO 61 2HG PRO 61 1.928 -11.937 5.921 528 2HG PRO 61 1HG PRO 61 2.290 -11.265 7.520 529 1HD PRO 61 2HD PRO 61 3.639 -10.630 5.179 530 2HD PRO 61 1HD PRO 61 4.277 -10.394 6.819 531 H GLU 62 H GLU 62 3.525 -12.656 3.924 532 HA GLU 62 HA GLU 62 2.600 -15.333 3.105 533 1HB GLU 62 2HB GLU 62 1.685 -12.618 2.189 534 2HB GLU 62 1HB GLU 62 1.073 -14.153 1.594 535 1HG GLU 62 2HG GLU 62 0.863 -13.137 4.412 536 2HG GLU 62 1HG GLU 62 -0.422 -13.150 3.209 537 H GLY 63 H GLY 63 5.036 -13.182 2.514 538 1HA GLY 63 2HA GLY 63 6.742 -13.644 0.935 539 2HA GLY 63 1HA GLY 63 5.547 -14.422 -0.091 540 H LYS 64 H LYS 64 3.794 -12.017 0.603 541 HA LYS 64 HA LYS 64 4.652 -10.489 -1.700 542 1HB LYS 64 2HB LYS 64 2.461 -9.452 -1.678 543 2HB LYS 64 1HB LYS 64 2.269 -11.182 -1.496 544 1HG LYS 64 2HG LYS 64 2.350 -10.056 1.103 545 2HG LYS 64 1HG LYS 64 1.262 -9.070 0.123 546 1HD LYS 64 2HD LYS 64 1.122 -12.065 0.495 547 2HD LYS 64 1HD LYS 64 0.052 -10.877 1.229 548 1HE LYS 64 2HE LYS 64 0.321 -11.261 -1.757 549 2HE LYS 64 1HE LYS 64 -0.838 -12.124 -0.752 550 1HZ LYS 64 1HZ LYS 64 -1.895 -10.068 -0.188 551 2HZ LYS 64 2HZ LYS 64 -1.804 -10.204 -1.854 552 3HZ LYS 64 3HZ LYS 64 -0.766 -9.140 -1.059 553 H TRP 65 H TRP 65 4.512 -8.073 -1.574 554 HA TRP 65 HA TRP 65 6.068 -7.133 0.769 555 1HB TRP 65 2HB TRP 65 5.768 -6.209 -2.068 556 2HB TRP 65 1HB TRP 65 6.489 -5.171 -0.865 557 HD1 TRP 65 HD TRP 65 7.970 -8.056 0.343 558 HE1 TRP 65 1HE TRP 65 10.161 -8.715 -0.835 559 HE3 TRP 65 3HE TRP 65 7.472 -5.285 -3.965 560 HZ2 TRP 65 2HZ TRP 65 11.489 -8.151 -3.254 561 HZ3 TRP 65 3HZ TRP 65 9.255 -5.415 -5.638 562 HH2 TRP 65 HH TRP 65 11.219 -6.814 -5.294 563 H LEU 66 H LEU 66 5.576 -4.893 1.508 564 HA LEU 66 HA LEU 66 2.700 -4.439 1.205 565 1HB LEU 66 2HB LEU 66 3.452 -4.715 3.534 566 2HB LEU 66 1HB LEU 66 4.549 -3.358 3.336 567 HG LEU 66 HG LEU 66 2.631 -1.854 2.975 568 1HD1 LEU 66 1HD1 LEU 66 0.987 -4.273 3.610 569 2HD1 LEU 66 2HD1 LEU 66 1.082 -3.448 2.045 570 3HD1 LEU 66 3HD1 LEU 66 0.391 -2.619 3.452 571 1HD2 LEU 66 1HD2 LEU 66 3.508 -2.132 5.220 572 2HD2 LEU 66 2HD2 LEU 66 2.405 -3.496 5.466 573 3HD2 LEU 66 3HD2 LEU 66 1.760 -1.876 5.230 574 H GLY 67 H GLY 67 2.241 -3.089 -0.305 575 1HA GLY 67 2HA GLY 67 3.979 -0.764 -0.684 576 2HA GLY 67 1HA GLY 67 3.061 -1.544 -1.977 577 H ARG 68 H ARG 68 3.068 1.194 -0.876 578 HA ARG 68 HA ARG 68 0.204 1.382 -0.254 579 1HB ARG 68 2HB ARG 68 1.535 2.141 1.571 580 2HB ARG 68 1HB ARG 68 2.430 3.289 0.565 581 1HG ARG 68 2HG ARG 68 0.198 4.432 0.203 582 2HG ARG 68 1HG ARG 68 -0.499 3.368 1.411 583 1HD ARG 68 2HD ARG 68 -0.009 5.318 2.572 584 2HD ARG 68 1HD ARG 68 1.326 4.247 2.969 585 HE ARG 68 HE ARG 68 2.417 5.612 0.964 586 1HH1 ARG 68 1HH1 ARG 68 0.520 6.841 3.748 587 2HH1 ARG 68 2HH1 ARG 68 1.207 8.385 3.674 588 1HH2 ARG 68 1HH2 ARG 68 3.344 7.669 0.936 589 2HH2 ARG 68 2HH2 ARG 68 2.869 8.919 2.024 590 H THR 69 H THR 69 -0.916 2.879 -1.206 591 HA THR 69 HA THR 69 0.008 3.899 -3.811 592 HB THR 69 HB THR 69 -2.757 3.688 -2.532 593 HG1 THR 69 1HG THR 69 -1.702 2.235 -4.718 594 1HG2 THR 69 1HG2 THR 69 -2.066 4.434 -5.377 595 2HG2 THR 69 2HG2 THR 69 -2.701 5.531 -4.150 596 3HG2 THR 69 3HG2 THR 69 -3.690 4.193 -4.736 597 H ALA 70 H ALA 70 -0.455 6.206 -4.272 598 HA ALA 70 HA ALA 70 0.517 8.005 -2.428 599 1HB ALA 70 1HB ALA 70 -0.278 9.770 -3.881 600 2HB ALA 70 2HB ALA 70 -1.395 8.651 -4.662 601 3HB ALA 70 3HB ALA 70 0.345 8.425 -4.837 602 H ARG 71 H ARG 71 -2.828 7.090 -2.872 603 HA ARG 71 HA ARG 71 -3.921 9.071 -1.103 604 1HB ARG 71 2HB ARG 71 -6.003 7.868 -1.401 605 2HB ARG 71 1HB ARG 71 -5.191 8.105 -2.945 606 1HG ARG 71 2HG ARG 71 -4.334 5.807 -2.830 607 2HG ARG 71 1HG ARG 71 -5.214 5.576 -1.321 608 1HD ARG 71 2HD ARG 71 -6.457 4.639 -3.147 609 2HD ARG 71 1HD ARG 71 -7.305 6.047 -2.510 610 HE ARG 71 HE ARG 71 -5.620 6.800 -4.627 611 1HH1 ARG 71 1HH1 ARG 71 -8.634 5.023 -4.040 612 2HH1 ARG 71 2HH1 ARG 71 -9.354 5.423 -5.529 613 1HH2 ARG 71 1HH2 ARG 71 -6.579 7.330 -6.727 614 2HH2 ARG 71 2HH2 ARG 71 -8.139 6.761 -7.101 615 H GLY 72 H GLY 72 -2.097 6.394 -0.400 616 1HA GLY 72 2HA GLY 72 -1.628 5.367 1.574 617 2HA GLY 72 1HA GLY 72 -2.853 6.317 2.380 618 H SER 73 H SER 73 -2.138 3.354 0.687 619 HA SER 73 HA SER 73 -4.416 2.077 1.626 620 1HB SER 73 2HB SER 73 -3.773 2.112 -1.315 621 2HB SER 73 1HB SER 73 -5.148 1.347 -0.536 622 HG SER 73 HG SER 73 -5.506 3.748 0.164 623 H TYR 74 H TYR 74 -3.580 0.239 2.035 624 HA TYR 74 HA TYR 74 -0.825 -0.310 1.168 625 1HB TYR 74 2HB TYR 74 -2.416 -0.473 3.503 626 2HB TYR 74 1HB TYR 74 -1.031 -1.630 3.511 627 HD1 TYR 74 1HD TYR 74 -2.509 1.557 4.225 628 HD2 TYR 74 2HD TYR 74 1.246 -0.322 3.590 629 HE1 TYR 74 1HE TYR 74 -1.400 3.397 5.399 630 HE2 TYR 74 2HE TYR 74 2.371 1.524 4.753 631 HH TYR 74 HH TYR 74 1.991 3.835 5.360 632 H GLY 75 H GLY 75 -1.314 -1.804 -0.471 633 1HA GLY 75 2HA GLY 75 -3.400 -3.737 0.174 634 2HA GLY 75 1HA GLY 75 -2.884 -3.333 -1.456 635 H TYR 76 H TYR 76 -0.316 -3.782 0.562 636 HA TYR 76 HA TYR 76 1.318 -5.346 0.344 637 1HB TYR 76 2HB TYR 76 0.286 -7.763 1.235 638 2HB TYR 76 1HB TYR 76 0.828 -6.457 2.281 639 HD1 TYR 76 1HD TYR 76 -2.089 -8.214 0.934 640 HD2 TYR 76 2HD TYR 76 -0.774 -5.016 3.398 641 HE1 TYR 76 1HE TYR 76 -4.372 -7.937 1.804 642 HE2 TYR 76 2HE TYR 76 -3.015 -4.735 4.270 643 HH TYR 76 HH TYR 76 -5.334 -5.199 3.507 644 H ILE 77 H ILE 77 1.741 -5.182 -1.586 645 HA ILE 77 HA ILE 77 0.539 -6.219 -3.858 646 HB ILE 77 HB ILE 77 2.947 -5.929 -4.672 647 1HG1 ILE 77 2HG1 ILE 77 2.975 -4.273 -2.152 648 2HG1 ILE 77 1HG1 ILE 77 4.010 -5.636 -2.550 649 1HG2 ILE 77 1HG2 ILE 77 1.136 -3.625 -3.926 650 2HG2 ILE 77 2HG2 ILE 77 1.089 -4.592 -5.418 651 3HG2 ILE 77 3HG2 ILE 77 2.464 -3.533 -5.091 652 1HD1 ILE 77 1HD1 ILE 77 3.963 -2.980 -3.928 653 2HD1 ILE 77 2HD1 ILE 77 5.002 -4.350 -4.334 654 3HD1 ILE 77 3HD1 ILE 77 5.178 -3.541 -2.766 655 H LYS 78 H LYS 78 0.886 -7.968 -4.926 656 HA LYS 78 HA LYS 78 2.781 -9.822 -3.929 657 1HB LYS 78 2HB LYS 78 2.147 -11.215 -5.838 658 2HB LYS 78 1HB LYS 78 0.689 -10.633 -5.050 659 1HG LYS 78 2HG LYS 78 0.429 -8.948 -6.738 660 2HG LYS 78 1HG LYS 78 2.017 -9.485 -7.360 661 1HD LYS 78 2HD LYS 78 1.084 -11.632 -8.001 662 2HD LYS 78 1HD LYS 78 -0.443 -11.254 -7.202 663 1HE LYS 78 2HE LYS 78 0.652 -9.724 -9.551 664 2HE LYS 78 1HE LYS 78 -0.475 -11.070 -9.698 665 1HZ LYS 78 1HZ LYS 78 -2.110 -9.866 -8.532 666 2HZ LYS 78 2HZ LYS 78 -1.523 -8.837 -9.736 667 3HZ LYS 78 3HZ LYS 78 -1.087 -8.613 -8.107 668 H THR 79 H THR 79 4.473 -9.328 -4.179 669 HA THR 79 HA THR 79 6.147 -7.501 -5.114 670 HB THR 79 HB THR 79 8.037 -9.002 -5.075 671 HG1 THR 79 1HG THR 79 7.927 -11.017 -5.517 672 1HG2 THR 79 1HG2 THR 79 7.632 -10.234 -3.006 673 2HG2 THR 79 2HG2 THR 79 5.894 -10.014 -3.215 674 3HG2 THR 79 3HG2 THR 79 6.933 -8.617 -2.928 675 H THR 80 H THR 80 5.122 -10.173 -7.170 676 HA THR 80 HA THR 80 6.694 -9.567 -9.419 677 HB THR 80 HB THR 80 5.727 -11.761 -9.046 678 HG1 THR 80 1HG THR 80 6.122 -11.456 -11.103 679 1HG2 THR 80 1HG2 THR 80 3.683 -11.105 -7.969 680 2HG2 THR 80 2HG2 THR 80 3.299 -12.168 -9.317 681 3HG2 THR 80 3HG2 THR 80 3.061 -10.412 -9.453 682 H ALA 81 H ALA 81 3.854 -8.008 -8.172 683 HA ALA 81 HA ALA 81 2.916 -7.152 -10.751 684 1HB ALA 81 1HB ALA 81 1.105 -6.128 -9.506 685 2HB ALA 81 2HB ALA 81 1.913 -6.524 -7.987 686 3HB ALA 81 3HB ALA 81 1.318 -7.813 -9.036 687 H VAL 82 H VAL 82 5.306 -6.170 -8.653 688 HA VAL 82 HA VAL 82 5.238 -3.503 -9.839 689 HB VAL 82 HB VAL 82 6.139 -2.494 -7.779 690 1HG1 VAL 82 1HG1 VAL 82 3.780 -2.241 -8.220 691 2HG1 VAL 82 2HG1 VAL 82 4.066 -2.389 -6.492 692 3HG1 VAL 82 3HG1 VAL 82 3.428 -3.761 -7.398 693 1HG2 VAL 82 1HG2 VAL 82 5.462 -5.140 -6.496 694 2HG2 VAL 82 2HG2 VAL 82 5.947 -3.683 -5.631 695 3HG2 VAL 82 3HG2 VAL 82 7.076 -4.473 -6.736 696 H GLU 83 H GLU 83 7.283 -2.437 -9.661 697 HA GLU 83 HA GLU 83 9.617 -4.150 -9.286 698 1HB GLU 83 2HB GLU 83 9.076 -2.145 -11.467 699 2HB GLU 83 1HB GLU 83 10.659 -2.866 -11.184 700 1HG GLU 83 2HG GLU 83 9.756 -5.078 -11.705 701 2HG GLU 83 1HG GLU 83 8.161 -4.376 -11.943 702 H ILE 84 H ILE 84 10.720 -3.227 -7.652 703 HA ILE 84 HA ILE 84 10.003 -0.513 -6.903 704 HB ILE 84 HB ILE 84 11.256 -0.824 -4.851 705 1HG1 ILE 84 2HG1 ILE 84 12.110 -3.388 -4.553 706 2HG1 ILE 84 1HG1 ILE 84 12.410 -3.118 -6.276 707 1HG2 ILE 84 1HG2 ILE 84 9.026 -1.688 -4.844 708 2HG2 ILE 84 2HG2 ILE 84 10.065 -2.694 -3.835 709 3HG2 ILE 84 3HG2 ILE 84 9.593 -3.248 -5.442 710 1HD1 ILE 84 1HD1 ILE 84 14.384 -2.643 -4.927 711 2HD1 ILE 84 2HD1 ILE 84 13.469 -1.400 -4.059 712 3HD1 ILE 84 3HD1 ILE 84 13.787 -1.216 -5.783 713 H ASP 85 H ASP 85 11.280 1.241 -6.869 714 HA ASP 85 HA ASP 85 13.404 1.301 -8.756 715 1HB ASP 85 2HB ASP 85 12.106 3.316 -8.446 716 2HB ASP 85 1HB ASP 85 12.450 3.331 -6.723 717 H TYR 86 H TYR 86 15.335 0.661 -8.438 718 HA TYR 86 HA TYR 86 16.168 -0.126 -5.822 719 1HB TYR 86 2HB TYR 86 17.552 -0.311 -8.507 720 2HB TYR 86 1HB TYR 86 18.229 -0.938 -7.007 721 HD1 TYR 86 1HD TYR 86 17.124 -2.819 -5.852 722 HD2 TYR 86 2HD TYR 86 15.812 -1.503 -9.674 723 HE1 TYR 86 1HE TYR 86 15.869 -4.912 -6.131 724 HE2 TYR 86 2HE TYR 86 14.549 -3.599 -9.964 725 HH TYR 86 HH TYR 86 14.628 -5.960 -9.061 726 H ASP 87 H ASP 87 18.049 0.516 -4.840 727 HA ASP 87 HA ASP 87 19.692 1.843 -4.128 728 1HB ASP 87 2HB ASP 87 20.248 2.619 -6.452 729 2HB ASP 87 1HB ASP 87 19.033 3.874 -6.300 730 H SER 88 H SER 88 17.733 4.634 -5.073 731 HA SER 88 HA SER 88 15.918 4.825 -3.049 732 1HB SER 88 2HB SER 88 17.821 4.658 -1.423 733 2HB SER 88 1HB SER 88 18.574 6.059 -2.175 734 HG SER 88 HG SER 88 16.404 5.843 -0.476 735 H LEU 89 H LEU 89 18.424 7.173 -3.488 736 HA LEU 89 HA LEU 89 17.157 8.709 -5.574 737 1HB LEU 89 2HB LEU 89 17.758 9.886 -2.827 738 2HB LEU 89 1HB LEU 89 17.283 10.803 -4.235 739 HG LEU 89 HG LEU 89 15.513 8.841 -2.769 740 1HD1 LEU 89 1HD1 LEU 89 15.560 11.859 -2.744 741 2HD1 LEU 89 2HD1 LEU 89 16.031 10.805 -1.414 742 3HD1 LEU 89 3HD1 LEU 89 14.355 10.838 -1.962 743 1HD2 LEU 89 1HD2 LEU 89 14.918 10.829 -4.956 744 2HD2 LEU 89 2HD2 LEU 89 13.732 9.833 -4.111 745 3HD2 LEU 89 3HD2 LEU 89 14.952 9.073 -5.133 746 H LYS 90 H LYS 90 19.384 8.789 -2.858 747 HA LYS 90 HA LYS 90 21.630 8.368 -4.565 748 1HB LYS 90 2HB LYS 90 21.482 10.764 -2.701 749 2HB LYS 90 1HB LYS 90 22.976 10.131 -3.364 750 1HG LYS 90 2HG LYS 90 22.110 10.604 -5.632 751 2HG LYS 90 1HG LYS 90 20.692 11.344 -4.889 752 1HD LYS 90 2HD LYS 90 22.128 12.977 -3.780 753 2HD LYS 90 1HD LYS 90 23.550 12.225 -4.517 754 1HE LYS 90 2HE LYS 90 22.634 12.706 -6.740 755 2HE LYS 90 1HE LYS 90 21.246 13.487 -5.990 756 1HZ LYS 90 1HZ LYS 90 22.839 15.074 -4.962 757 2HZ LYS 90 2HZ LYS 90 22.753 15.146 -6.624 758 3HZ LYS 90 3HZ LYS 90 24.082 14.392 -5.890 759 H LEU 91 H LEU 91 21.264 6.298 -3.503 760 HA LEU 91 HA LEU 91 21.696 6.116 -0.688 761 1HB LEU 91 2HB LEU 91 20.583 4.345 -2.071 762 2HB LEU 91 1HB LEU 91 22.124 4.023 -2.831 763 HG LEU 91 HG LEU 91 23.017 3.282 -0.651 764 1HD1 LEU 91 1HD1 LEU 91 21.465 2.886 1.200 765 2HD1 LEU 91 2HD1 LEU 91 20.177 3.670 0.285 766 3HD1 LEU 91 3HD1 LEU 91 21.580 4.602 0.808 767 1HD2 LEU 91 1HD2 LEU 91 21.758 1.184 -0.565 768 2HD2 LEU 91 2HD2 LEU 91 22.095 1.673 -2.225 769 3HD2 LEU 91 3HD2 LEU 91 20.485 1.912 -1.546 770 H LYS 92 H LYS 92 23.586 6.235 -3.522 771 HA LYS 92 HA LYS 92 26.052 6.189 -1.975 772 1HB LYS 92 2HB LYS 92 26.118 4.876 -4.027 773 2HB LYS 92 1HB LYS 92 25.534 6.246 -4.961 774 1HG LYS 92 2HG LYS 92 27.589 7.462 -4.493 775 2HG LYS 92 1HG LYS 92 28.173 6.113 -3.519 776 1HD LYS 92 2HD LYS 92 28.173 4.674 -5.455 777 2HD LYS 92 1HD LYS 92 27.477 5.960 -6.444 778 1HE LYS 92 2HE LYS 92 29.908 5.714 -6.768 779 2HE LYS 92 1HE LYS 92 29.451 7.304 -6.166 780 1HZ LYS 92 1HZ LYS 92 30.481 5.108 -4.430 781 2HZ LYS 92 2HZ LYS 92 30.226 6.748 -4.001 782 3HZ LYS 92 3HZ LYS 92 31.409 6.349 -5.088 783 H LYS 93 H LYS 93 26.164 8.128 -0.989 784 HA LYS 93 HA LYS 93 26.102 10.384 -2.785 785 1HB LYS 93 2HB LYS 93 25.302 11.833 -0.886 786 2HB LYS 93 1HB LYS 93 24.129 10.715 -1.547 787 1HG LYS 93 2HG LYS 93 24.426 9.242 0.373 788 2HG LYS 93 1HG LYS 93 25.667 10.321 1.018 789 1HD LYS 93 2HD LYS 93 23.465 10.665 2.092 790 2HD LYS 93 1HD LYS 93 24.027 12.106 1.242 791 1HE LYS 93 2HE LYS 93 22.615 11.476 -0.683 792 2HE LYS 93 1HE LYS 93 22.021 10.095 0.228 793 1HZ LYS 93 1HZ LYS 93 21.016 11.614 1.824 794 2HZ LYS 93 2HZ LYS 93 20.529 12.006 0.250 795 3HZ LYS 93 3HZ LYS 93 21.690 12.934 1.023 796 H ASP 94 H ASP 94 28.141 10.374 -3.178 797 HA ASP 94 HA ASP 94 30.093 10.730 -1.040 798 1HB ASP 94 2HB ASP 94 30.309 10.318 -4.024 799 2HB ASP 94 1HB ASP 94 31.688 10.874 -3.088 800 H LEU 95 H LEU 95 28.033 12.616 -1.549 801 HA LEU 95 HA LEU 95 27.635 14.797 -1.467 802 1HB LEU 95 2HB LEU 95 30.640 15.021 -1.257 803 2HB LEU 95 1HB LEU 95 29.597 16.424 -1.232 804 HG LEU 95 HG LEU 95 30.177 15.968 1.000 805 1HD1 LEU 95 1HD1 LEU 95 27.400 14.949 0.546 806 2HD1 LEU 95 2HD1 LEU 95 27.908 16.626 0.753 807 3HD1 LEU 95 3HD1 LEU 95 28.055 15.486 2.093 808 1HD2 LEU 95 1HD2 LEU 95 29.296 13.105 0.605 809 2HD2 LEU 95 2HD2 LEU 95 29.803 13.816 2.138 810 3HD2 LEU 95 3HD2 LEU 95 30.956 13.666 0.812 811 H GLU 96 H GLU 96 27.889 13.419 -3.923 812 HA GLU 96 HA GLU 96 28.715 15.480 -5.790 813 1HB GLU 96 2HB GLU 96 27.824 12.622 -6.182 814 2HB GLU 96 1HB GLU 96 28.190 13.723 -7.500 815 1HG GLU 96 2HG GLU 96 30.140 12.898 -5.362 816 2HG GLU 96 1HG GLU 96 30.030 12.173 -6.966 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 -14.033 -2.892 32.430 2 2H GLU 1 2HT GLU 1 -14.528 -2.359 33.958 3 3H GLU 1 3HT GLU 1 -15.613 -3.224 32.993 4 HA GLU 1 HA GLU 1 -14.677 -4.586 34.738 5 1HB GLU 1 2HB GLU 1 -13.359 -5.278 32.091 6 2HB GLU 1 1HB GLU 1 -13.810 -6.398 33.368 7 1HG GLU 1 2HG GLU 1 -15.678 -4.825 31.605 8 2HG GLU 1 1HG GLU 1 -15.368 -6.559 31.538 9 H LYS 2 H LYS 2 -12.282 -5.931 34.855 10 HA LYS 2 HA LYS 2 -10.543 -3.769 35.713 11 1HB LYS 2 2HB LYS 2 -10.460 -6.739 36.205 12 2HB LYS 2 1HB LYS 2 -9.196 -5.643 36.735 13 1HG LYS 2 2HG LYS 2 -10.824 -4.432 38.096 14 2HG LYS 2 1HG LYS 2 -12.088 -5.537 37.559 15 1HD LYS 2 2HD LYS 2 -11.252 -6.155 39.772 16 2HD LYS 2 1HD LYS 2 -10.905 -7.407 38.582 17 1HE LYS 2 2HE LYS 2 -8.605 -6.613 38.397 18 2HE LYS 2 1HE LYS 2 -8.950 -5.315 39.540 19 1HZ LYS 2 1HZ LYS 2 -9.383 -6.941 41.241 20 2HZ LYS 2 2HZ LYS 2 -7.847 -7.239 40.609 21 3HZ LYS 2 3HZ LYS 2 -9.143 -8.216 40.172 22 H LYS 3 H LYS 3 -10.918 -5.314 32.909 23 HA LYS 3 HA LYS 3 -8.191 -4.710 32.144 24 1HB LYS 3 2HB LYS 3 -7.923 -6.802 30.927 25 2HB LYS 3 1HB LYS 3 -8.160 -7.120 32.639 26 1HG LYS 3 2HG LYS 3 -10.482 -7.736 32.218 27 2HG LYS 3 1HG LYS 3 -10.274 -7.371 30.501 28 1HD LYS 3 2HD LYS 3 -8.559 -9.101 30.346 29 2HD LYS 3 1HD LYS 3 -8.764 -9.460 32.059 30 1HE LYS 3 2HE LYS 3 -9.958 -11.080 30.714 31 2HE LYS 3 1HE LYS 3 -11.090 -10.095 31.636 32 1HZ LYS 3 1HZ LYS 3 -11.720 -10.537 29.325 33 2HZ LYS 3 2HZ LYS 3 -10.439 -9.597 28.760 34 3HZ LYS 3 3HZ LYS 3 -11.686 -8.905 29.682 35 H GLU 4 H GLU 4 -8.007 -4.444 29.872 36 HA GLU 4 HA GLU 4 -10.522 -3.706 28.618 37 1HB GLU 4 2HB GLU 4 -7.651 -3.257 27.741 38 2HB GLU 4 1HB GLU 4 -9.049 -2.794 26.792 39 1HG GLU 4 2HG GLU 4 -8.242 -0.838 27.827 40 2HG GLU 4 1HG GLU 4 -9.707 -1.284 28.686 41 H GLN 5 H GLN 5 -10.520 -4.281 26.199 42 HA GLN 5 HA GLN 5 -9.702 -7.091 25.938 43 1HB GLN 5 2HB GLN 5 -12.146 -5.731 24.818 44 2HB GLN 5 1HB GLN 5 -11.645 -7.371 24.452 45 1HG GLN 5 2HG GLN 5 -11.954 -7.980 26.788 46 2HG GLN 5 1HG GLN 5 -12.460 -6.326 27.142 47 1HE2 GLN 5 1HE2 GLN 5 -14.412 -5.600 26.357 48 2HE2 GLN 5 2HE2 GLN 5 -15.652 -6.689 25.835 49 H LYS 6 H LYS 6 -9.241 -7.734 23.818 50 HA LYS 6 HA LYS 6 -8.211 -5.584 22.170 51 1HB LYS 6 2HB LYS 6 -7.979 -8.594 21.859 52 2HB LYS 6 1HB LYS 6 -7.214 -7.414 20.801 53 1HG LYS 6 2HG LYS 6 -6.685 -7.690 23.756 54 2HG LYS 6 1HG LYS 6 -5.652 -8.318 22.469 55 1HD LYS 6 2HD LYS 6 -5.183 -6.104 21.674 56 2HD LYS 6 1HD LYS 6 -6.387 -5.406 22.755 57 1HE LYS 6 2HE LYS 6 -3.930 -6.879 23.696 58 2HE LYS 6 1HE LYS 6 -4.002 -5.132 23.487 59 1HZ LYS 6 1HZ LYS 6 -4.382 -5.799 25.778 60 2HZ LYS 6 2HZ LYS 6 -5.758 -6.683 25.369 61 3HZ LYS 6 3HZ LYS 6 -5.712 -5.003 25.158 62 H GLU 7 H GLU 7 -9.815 -4.626 21.300 63 HA GLU 7 HA GLU 7 -12.092 -6.099 20.222 64 1HB GLU 7 2HB GLU 7 -11.702 -3.145 20.677 65 2HB GLU 7 1HB GLU 7 -13.214 -3.986 20.368 66 1HG GLU 7 2HG GLU 7 -13.145 -5.046 22.497 67 2HG GLU 7 1HG GLU 7 -11.511 -4.456 22.798 68 H LYS 8 H LYS 8 -10.177 -3.252 19.520 69 HA LYS 8 HA LYS 8 -9.295 -3.880 16.978 70 1HB LYS 8 2HB LYS 8 -11.724 -3.726 16.359 71 2HB LYS 8 1HB LYS 8 -11.745 -2.085 16.970 72 1HG LYS 8 2HG LYS 8 -11.611 -1.966 14.590 73 2HG LYS 8 1HG LYS 8 -10.042 -1.491 15.224 74 1HD LYS 8 2HD LYS 8 -10.650 -4.293 14.274 75 2HD LYS 8 1HD LYS 8 -10.039 -3.039 13.206 76 1HE LYS 8 2HE LYS 8 -8.626 -3.943 15.718 77 2HE LYS 8 1HE LYS 8 -8.315 -4.624 14.126 78 1HZ LYS 8 1HZ LYS 8 -7.547 -2.545 13.357 79 2HZ LYS 8 2HZ LYS 8 -6.745 -2.842 14.824 80 3HZ LYS 8 3HZ LYS 8 -7.984 -1.729 14.768 81 H GLU 9 H GLU 9 -10.766 -1.364 18.903 82 HA GLU 9 HA GLU 9 -10.029 0.461 19.923 83 1HB GLU 9 2HB GLU 9 -7.982 -0.945 20.392 84 2HB GLU 9 1HB GLU 9 -7.249 -0.228 18.970 85 1HG GLU 9 2HG GLU 9 -7.424 1.970 20.012 86 2HG GLU 9 1HG GLU 9 -8.123 1.214 21.450 87 H LYS 10 H LYS 10 -7.904 0.237 17.105 88 HA LYS 10 HA LYS 10 -9.243 2.609 16.040 89 1HB LYS 10 2HB LYS 10 -6.705 2.690 17.031 90 2HB LYS 10 1HB LYS 10 -6.370 2.191 15.381 91 1HG LYS 10 2HG LYS 10 -7.970 4.642 16.105 92 2HG LYS 10 1HG LYS 10 -6.241 4.655 15.795 93 1HD LYS 10 2HD LYS 10 -8.300 3.704 13.813 94 2HD LYS 10 1HD LYS 10 -7.694 5.359 13.875 95 1HE LYS 10 2HE LYS 10 -5.418 4.515 13.517 96 2HE LYS 10 1HE LYS 10 -6.051 2.874 13.433 97 1HZ LYS 10 1HZ LYS 10 -5.680 3.826 11.248 98 2HZ LYS 10 2HZ LYS 10 -6.722 5.092 11.581 99 3HZ LYS 10 3HZ LYS 10 -7.325 3.501 11.489 100 H LYS 11 H LYS 11 -9.987 2.251 14.092 101 HA LYS 11 HA LYS 11 -9.745 -0.339 12.895 102 1HB LYS 11 2HB LYS 11 -11.865 0.844 12.930 103 2HB LYS 11 1HB LYS 11 -11.170 2.166 12.010 104 1HG LYS 11 2HG LYS 11 -10.923 0.708 10.078 105 2HG LYS 11 1HG LYS 11 -11.562 -0.651 11.007 106 1HD LYS 11 2HD LYS 11 -13.668 0.533 11.321 107 2HD LYS 11 1HD LYS 11 -13.033 1.917 10.432 108 1HE LYS 11 2HE LYS 11 -14.512 0.538 9.052 109 2HE LYS 11 1HE LYS 11 -12.871 0.576 8.419 110 1HZ LYS 11 1HZ LYS 11 -13.787 -1.652 10.158 111 2HZ LYS 11 2HZ LYS 11 -12.521 -1.635 9.000 112 3HZ LYS 11 3HZ LYS 11 -14.106 -1.618 8.510 113 H GLU 12 H GLU 12 -8.348 -0.964 11.378 114 HA GLU 12 HA GLU 12 -6.835 1.074 9.904 115 1HB GLU 12 2HB GLU 12 -6.205 -1.890 10.206 116 2HB GLU 12 1HB GLU 12 -5.248 -0.660 9.459 117 1HG GLU 12 2HG GLU 12 -5.895 -0.655 12.376 118 2HG GLU 12 1HG GLU 12 -4.414 -1.296 11.666 119 H GLN 13 H GLN 13 -6.111 -0.167 7.764 120 HA GLN 13 HA GLN 13 -8.465 -0.853 6.318 121 1HB GLN 13 2HB GLN 13 -6.668 0.500 5.275 122 2HB GLN 13 1HB GLN 13 -5.549 -0.835 5.450 123 1HG GLN 13 2HG GLN 13 -6.813 -2.144 3.848 124 2HG GLN 13 1HG GLN 13 -8.027 -0.877 3.739 125 1HE2 GLN 13 1HE2 GLN 13 -7.711 -0.718 1.544 126 2HE2 GLN 13 2HE2 GLN 13 -6.335 0.010 0.811 127 H GLU 14 H GLU 14 -6.760 -2.440 8.451 128 HA GLU 14 HA GLU 14 -6.629 -4.538 9.255 129 1HB GLU 14 2HB GLU 14 -7.810 -5.471 6.617 130 2HB GLU 14 1HB GLU 14 -7.411 -6.539 7.951 131 1HG GLU 14 2HG GLU 14 -9.065 -5.305 9.342 132 2HG GLU 14 1HG GLU 14 -9.518 -4.389 7.902 133 H ILE 15 H ILE 15 -4.644 -3.115 8.061 134 HA ILE 15 HA ILE 15 -3.246 -4.896 6.251 135 HB ILE 15 HB ILE 15 -1.700 -3.015 5.873 136 1HG1 ILE 15 2HG1 ILE 15 -3.360 -1.120 7.352 137 2HG1 ILE 15 1HG1 ILE 15 -2.431 -2.210 8.386 138 1HG2 ILE 15 1HG2 ILE 15 -3.311 -1.499 4.863 139 2HG2 ILE 15 2HG2 ILE 15 -4.591 -2.234 5.824 140 3HG2 ILE 15 3HG2 ILE 15 -3.769 -3.189 4.589 141 1HD1 ILE 15 1HD1 ILE 15 -0.406 -1.617 7.245 142 2HD1 ILE 15 2HD1 ILE 15 -1.162 -0.195 7.958 143 3HD1 ILE 15 3HD1 ILE 15 -1.278 -0.499 6.203 144 H LYS 16 H LYS 16 -3.008 -3.758 9.536 145 HA LYS 16 HA LYS 16 -0.298 -4.728 9.645 146 1HB LYS 16 2HB LYS 16 -0.237 -3.649 11.922 147 2HB LYS 16 1HB LYS 16 -0.453 -2.561 10.559 148 1HG LYS 16 2HG LYS 16 -2.919 -2.642 11.066 149 2HG LYS 16 1HG LYS 16 -2.484 -3.455 12.569 150 1HD LYS 16 2HD LYS 16 -1.453 -0.774 11.687 151 2HD LYS 16 1HD LYS 16 -2.812 -1.037 12.778 152 1HE LYS 16 2HE LYS 16 -1.275 -2.170 14.364 153 2HE LYS 16 1HE LYS 16 0.051 -1.949 13.231 154 1HZ LYS 16 1HZ LYS 16 0.187 -0.283 14.922 155 2HZ LYS 16 2HZ LYS 16 -1.398 0.188 14.716 156 3HZ LYS 16 3HZ LYS 16 -0.274 0.517 13.515 157 H LYS 17 H LYS 17 -3.329 -5.797 10.291 158 HA LYS 17 HA LYS 17 -2.320 -7.911 12.014 159 1HB LYS 17 2HB LYS 17 -4.618 -6.958 12.359 160 2HB LYS 17 1HB LYS 17 -5.070 -7.505 10.761 161 1HG LYS 17 2HG LYS 17 -4.192 -9.442 12.889 162 2HG LYS 17 1HG LYS 17 -5.847 -8.846 12.815 163 1HD LYS 17 2HD LYS 17 -6.079 -9.756 10.557 164 2HD LYS 17 1HD LYS 17 -4.398 -10.296 10.592 165 1HE LYS 17 2HE LYS 17 -4.886 -11.821 12.400 166 2HE LYS 17 1HE LYS 17 -6.536 -11.208 12.510 167 1HZ LYS 17 1HZ LYS 17 -6.504 -13.285 11.293 168 2HZ LYS 17 2HZ LYS 17 -5.396 -12.687 10.170 169 3HZ LYS 17 3HZ LYS 17 -6.932 -12.030 10.276 170 H LYS 18 H LYS 18 -2.816 -7.132 8.703 171 HA LYS 18 HA LYS 18 -2.945 -9.836 7.722 172 1HB LYS 18 2HB LYS 18 -3.990 -7.750 6.683 173 2HB LYS 18 1HB LYS 18 -2.370 -7.346 6.157 174 1HG LYS 18 2HG LYS 18 -3.208 -8.385 4.293 175 2HG LYS 18 1HG LYS 18 -2.388 -9.721 5.102 176 1HD LYS 18 2HD LYS 18 -4.595 -10.407 4.297 177 2HD LYS 18 1HD LYS 18 -4.539 -10.440 6.064 178 1HE LYS 18 2HE LYS 18 -5.741 -8.370 6.215 179 2HE LYS 18 1HE LYS 18 -5.609 -8.102 4.481 180 1HZ LYS 18 1HZ LYS 18 -7.807 -8.894 5.196 181 2HZ LYS 18 2HZ LYS 18 -7.126 -10.370 5.690 182 3HZ LYS 18 3HZ LYS 18 -7.062 -9.881 4.065 183 H PHE 19 H PHE 19 -0.601 -7.059 7.322 184 HA PHE 19 HA PHE 19 1.357 -8.991 6.422 185 1HB PHE 19 2HB PHE 19 0.840 -6.735 5.299 186 2HB PHE 19 1HB PHE 19 1.667 -5.998 6.663 187 HD1 PHE 19 1HD PHE 19 2.013 -7.354 3.441 188 HD2 PHE 19 2HD PHE 19 4.104 -6.813 7.090 189 HE1 PHE 19 1HE PHE 19 4.149 -7.603 2.263 190 HE2 PHE 19 2HE PHE 19 6.236 -7.058 5.912 191 HZ PHE 19 HZ PHE 19 6.277 -7.435 3.504 192 H LYS 20 H LYS 20 0.598 -6.852 9.055 193 HA LYS 20 HA LYS 20 1.363 -6.602 11.155 194 1HB LYS 20 2HB LYS 20 1.587 -8.953 11.533 195 2HB LYS 20 1HB LYS 20 3.008 -9.054 10.509 196 1HG LYS 20 2HG LYS 20 4.236 -7.699 12.184 197 2HG LYS 20 1HG LYS 20 2.815 -7.783 13.228 198 1HD LYS 20 2HD LYS 20 3.000 -10.131 13.440 199 2HD LYS 20 1HD LYS 20 4.185 -10.226 12.133 200 1HE LYS 20 2HE LYS 20 4.598 -8.884 14.800 201 2HE LYS 20 1HE LYS 20 5.239 -10.456 14.328 202 1HZ LYS 20 1HZ LYS 20 5.925 -7.848 13.042 203 2HZ LYS 20 2HZ LYS 20 6.442 -9.311 12.504 204 3HZ LYS 20 3HZ LYS 20 6.939 -8.748 14.036 205 H LEU 21 H LEU 21 2.086 -4.677 10.972 206 HA LEU 21 HA LEU 21 4.799 -4.307 10.000 207 1HB LEU 21 2HB LEU 21 2.682 -2.198 10.395 208 2HB LEU 21 1HB LEU 21 4.296 -1.968 9.774 209 HG LEU 21 HG LEU 21 3.051 -1.967 7.824 210 1HD1 LEU 21 1HD1 LEU 21 3.416 -4.044 6.637 211 2HD1 LEU 21 2HD1 LEU 21 3.754 -4.844 8.158 212 3HD1 LEU 21 3HD1 LEU 21 4.833 -3.565 7.583 213 1HD2 LEU 21 1HD2 LEU 21 1.196 -3.467 7.279 214 2HD2 LEU 21 2HD2 LEU 21 0.851 -2.561 8.744 215 3HD2 LEU 21 3HD2 LEU 21 1.352 -4.254 8.840 216 H THR 22 H THR 22 2.818 -4.000 12.772 217 HA THR 22 HA THR 22 3.069 -3.579 14.863 218 HB THR 22 HB THR 22 5.220 -4.053 16.043 219 HG1 THR 22 1HG THR 22 6.132 -4.014 13.395 220 1HG2 THR 22 1HG2 THR 22 4.383 -6.001 13.924 221 2HG2 THR 22 2HG2 THR 22 3.615 -5.798 15.496 222 3HG2 THR 22 3HG2 THR 22 5.276 -6.414 15.388 223 H GLY 23 H GLY 23 5.301 -1.586 13.052 224 1HA GLY 23 2HA GLY 23 4.592 0.565 14.921 225 2HA GLY 23 1HA GLY 23 6.257 0.354 14.372 226 HA PRO 24 HA PRO 24 3.650 2.909 11.274 227 1HB PRO 24 2HB PRO 24 5.217 5.190 12.315 228 2HB PRO 24 1HB PRO 24 3.490 5.095 11.956 229 1HG PRO 24 2HG PRO 24 4.415 5.184 14.475 230 2HG PRO 24 1HG PRO 24 2.970 4.257 14.036 231 1HD PRO 24 2HD PRO 24 5.744 3.289 14.585 232 2HD PRO 24 1HD PRO 24 4.182 2.556 14.993 233 H ILE 25 H ILE 25 4.635 2.487 9.472 234 HA ILE 25 HA ILE 25 7.533 2.869 9.340 235 HB ILE 25 HB ILE 25 6.879 0.521 9.121 236 1HG1 ILE 25 2HG1 ILE 25 8.018 -0.018 6.979 237 2HG1 ILE 25 1HG1 ILE 25 7.911 1.679 6.528 238 1HG2 ILE 25 1HG2 ILE 25 5.303 1.351 6.700 239 2HG2 ILE 25 2HG2 ILE 25 4.660 0.745 8.225 240 3HG2 ILE 25 3HG2 ILE 25 5.624 -0.313 7.195 241 1HD1 ILE 25 1HD1 ILE 25 9.318 2.276 8.431 242 2HD1 ILE 25 2HD1 ILE 25 10.123 1.124 7.366 243 3HD1 ILE 25 3HD1 ILE 25 9.420 0.577 8.889 244 H GLN 26 H GLN 26 8.440 3.956 7.706 245 HA GLN 26 HA GLN 26 6.681 5.632 6.073 246 1HB GLN 26 2HB GLN 26 8.576 7.062 5.769 247 2HB GLN 26 1HB GLN 26 8.498 6.659 7.479 248 1HG GLN 26 2HG GLN 26 10.255 4.965 7.144 249 2HG GLN 26 1HG GLN 26 10.278 5.409 5.428 250 1HE2 GLN 26 1HE2 GLN 26 11.221 7.276 4.806 251 2HE2 GLN 26 2HE2 GLN 26 12.264 8.201 5.816 252 H VAL 27 H VAL 27 7.813 6.166 3.882 253 HA VAL 27 HA VAL 27 7.940 3.741 2.406 254 HB VAL 27 HB VAL 27 8.298 6.614 1.636 255 1HG1 VAL 27 1HG1 VAL 27 9.618 5.247 0.134 256 2HG1 VAL 27 2HG1 VAL 27 8.184 5.881 -0.692 257 3HG1 VAL 27 3HG1 VAL 27 8.233 4.191 -0.140 258 1HG2 VAL 27 1HG2 VAL 27 6.091 5.947 2.281 259 2HG2 VAL 27 2HG2 VAL 27 6.201 4.583 1.147 260 3HG2 VAL 27 3HG2 VAL 27 6.183 6.238 0.526 261 H ILE 28 H ILE 28 9.543 2.745 1.699 262 HA ILE 28 HA ILE 28 12.258 3.583 2.397 263 HB ILE 28 HB ILE 28 11.239 0.884 1.470 264 1HG1 ILE 28 2HG1 ILE 28 12.014 1.859 4.228 265 2HG1 ILE 28 1HG1 ILE 28 10.376 1.548 3.673 266 1HG2 ILE 28 1HG2 ILE 28 13.419 0.036 2.200 267 2HG2 ILE 28 2HG2 ILE 28 13.943 1.686 2.552 268 3HG2 ILE 28 3HG2 ILE 28 13.574 1.210 0.891 269 1HD1 ILE 28 1HD1 ILE 28 10.919 -0.806 3.400 270 2HD1 ILE 28 2HD1 ILE 28 11.203 -0.259 5.053 271 3HD1 ILE 28 3HD1 ILE 28 12.564 -0.490 3.952 272 H HIS 29 H HIS 29 10.182 2.980 -0.373 273 HA HIS 29 HA HIS 29 12.111 3.966 -2.264 274 1HB HIS 29 2HB HIS 29 11.492 1.002 -2.325 275 2HB HIS 29 1HB HIS 29 12.000 1.870 -3.750 276 HD1 HIS 29 1HD HIS 29 13.276 -0.294 -1.222 277 HD2 HIS 29 2HD HIS 29 14.762 3.108 -3.104 278 HE1 HIS 29 1HE HIS 29 15.738 -0.361 -0.891 279 HE2 HIS 29 2HE HIS 29 16.584 1.421 -2.406 280 H LEU 30 H LEU 30 11.208 3.840 -4.466 281 HA LEU 30 HA LEU 30 8.282 3.949 -4.305 282 1HB LEU 30 2HB LEU 30 10.170 5.283 -6.265 283 2HB LEU 30 1HB LEU 30 8.424 5.298 -6.361 284 HG LEU 30 HG LEU 30 8.307 6.630 -4.294 285 1HD1 LEU 30 1HD1 LEU 30 10.378 5.919 -3.208 286 2HD1 LEU 30 2HD1 LEU 30 10.294 7.673 -3.369 287 3HD1 LEU 30 3HD1 LEU 30 11.318 6.734 -4.460 288 1HD2 LEU 30 1HD2 LEU 30 10.079 7.742 -6.441 289 2HD2 LEU 30 2HD2 LEU 30 9.171 8.683 -5.256 290 3HD2 LEU 30 3HD2 LEU 30 8.315 7.699 -6.444 291 H ALA 31 H ALA 31 7.376 2.276 -5.147 292 HA ALA 31 HA ALA 31 8.741 0.770 -7.246 293 1HB ALA 31 1HB ALA 31 7.159 -1.007 -6.914 294 2HB ALA 31 2HB ALA 31 6.222 -0.042 -5.795 295 3HB ALA 31 3HB ALA 31 7.860 -0.581 -5.357 296 H LYS 32 H LYS 32 7.787 0.195 -9.092 297 HA LYS 32 HA LYS 32 5.674 2.029 -9.892 298 1HB LYS 32 2HB LYS 32 7.798 2.266 -11.157 299 2HB LYS 32 1HB LYS 32 7.703 0.569 -11.605 300 1HG LYS 32 2HG LYS 32 5.653 0.985 -12.839 301 2HG LYS 32 1HG LYS 32 5.691 2.677 -12.351 302 1HD LYS 32 2HD LYS 32 6.525 2.414 -14.619 303 2HD LYS 32 1HD LYS 32 7.808 2.967 -13.543 304 1HE LYS 32 2HE LYS 32 8.672 0.692 -13.399 305 2HE LYS 32 1HE LYS 32 7.373 0.122 -14.445 306 1HZ LYS 32 1HZ LYS 32 9.428 0.454 -15.648 307 2HZ LYS 32 2HZ LYS 32 9.451 2.100 -15.220 308 3HZ LYS 32 3HZ LYS 32 8.228 1.499 -16.215 309 H ALA 33 H ALA 33 3.795 1.116 -10.441 310 HA ALA 33 HA ALA 33 3.296 -1.630 -10.056 311 1HB ALA 33 1HB ALA 33 1.177 -1.137 -11.121 312 2HB ALA 33 2HB ALA 33 1.802 0.423 -11.653 313 3HB ALA 33 3HB ALA 33 1.588 0.095 -9.932 314 H CYS 34 H CYS 34 3.990 -3.174 -11.231 315 HA CYS 34 HA CYS 34 5.089 -2.708 -13.842 316 1HB CYS 34 2HB CYS 34 6.095 -4.245 -12.132 317 2HB CYS 34 1HB CYS 34 4.729 -5.321 -12.370 318 HG CYS 34 HG CYS 34 7.294 -4.613 -14.419 319 H CYS 35 H CYS 35 2.069 -3.629 -12.564 320 HA CYS 35 HA CYS 35 0.995 -3.947 -15.217 321 1HB CYS 35 2HB CYS 35 1.692 -6.270 -14.521 322 2HB CYS 35 1HB CYS 35 0.646 -6.124 -13.119 323 HG CYS 35 HG CYS 35 -0.848 -5.596 -16.071 324 H ASP 36 H ASP 36 -1.390 -3.838 -15.065 325 HA ASP 36 HA ASP 36 -2.111 -2.326 -12.698 326 1HB ASP 36 2HB ASP 36 -3.889 -1.325 -13.891 327 2HB ASP 36 1HB ASP 36 -2.585 -1.409 -15.050 328 H VAL 37 H VAL 37 -2.891 -3.353 -11.152 329 HA VAL 37 HA VAL 37 -4.456 -5.783 -11.669 330 HB VAL 37 HB VAL 37 -2.195 -6.055 -10.512 331 1HG1 VAL 37 1HG1 VAL 37 -2.247 -4.137 -9.179 332 2HG1 VAL 37 2HG1 VAL 37 -2.131 -5.577 -8.136 333 3HG1 VAL 37 3HG1 VAL 37 -3.676 -4.718 -8.333 334 1HG2 VAL 37 1HG2 VAL 37 -3.855 -7.821 -10.371 335 2HG2 VAL 37 2HG2 VAL 37 -4.607 -7.015 -8.986 336 3HG2 VAL 37 3HG2 VAL 37 -2.972 -7.662 -8.852 337 H LYS 38 H LYS 38 -6.216 -6.124 -10.302 338 HA LYS 38 HA LYS 38 -7.528 -3.666 -9.422 339 1HB LYS 38 2HB LYS 38 -9.531 -5.027 -9.449 340 2HB LYS 38 1HB LYS 38 -8.642 -5.205 -10.956 341 1HG LYS 38 2HG LYS 38 -7.616 -7.283 -9.887 342 2HG LYS 38 1HG LYS 38 -8.911 -7.150 -8.700 343 1HD LYS 38 2HD LYS 38 -9.265 -7.257 -11.638 344 2HD LYS 38 1HD LYS 38 -9.336 -8.700 -10.637 345 1HE LYS 38 2HE LYS 38 -11.624 -8.107 -10.978 346 2HE LYS 38 1HE LYS 38 -11.240 -7.559 -9.356 347 1HZ LYS 38 1HZ LYS 38 -12.558 -5.982 -10.568 348 2HZ LYS 38 2HZ LYS 38 -11.452 -5.882 -11.801 349 3HZ LYS 38 3HZ LYS 38 -11.071 -5.255 -10.254 350 H GLY 39 H GLY 39 -5.500 -5.592 -7.887 351 1HA GLY 39 2HA GLY 39 -5.052 -5.902 -5.649 352 2HA GLY 39 1HA GLY 39 -6.360 -4.782 -5.322 353 H GLY 40 H GLY 40 -5.997 -8.083 -6.518 354 1HA GLY 40 2HA GLY 40 -8.340 -8.839 -4.865 355 2HA GLY 40 1HA GLY 40 -7.825 -9.708 -6.316 356 H LYS 41 H LYS 41 -8.139 -11.047 -3.801 357 HA LYS 41 HA LYS 41 -7.058 -12.419 -2.387 358 1HB LYS 41 2HB LYS 41 -4.993 -12.301 -4.579 359 2HB LYS 41 1HB LYS 41 -4.784 -13.310 -3.165 360 1HG LYS 41 2HG LYS 41 -7.162 -13.535 -5.003 361 2HG LYS 41 1HG LYS 41 -5.670 -14.436 -5.247 362 1HD LYS 41 2HD LYS 41 -7.232 -15.874 -4.110 363 2HD LYS 41 1HD LYS 41 -5.972 -15.432 -2.969 364 1HE LYS 41 2HE LYS 41 -7.462 -13.779 -1.962 365 2HE LYS 41 1HE LYS 41 -8.712 -14.176 -3.139 366 1HZ LYS 41 1HZ LYS 41 -8.809 -16.397 -2.238 367 2HZ LYS 41 2HZ LYS 41 -9.063 -15.252 -1.004 368 3HZ LYS 41 3HZ LYS 41 -7.589 -16.049 -1.123 369 H ASN 42 H ASN 42 -6.923 -9.738 -1.893 370 HA ASN 42 HA ASN 42 -6.081 -8.264 -0.510 371 1HB ASN 42 2HB ASN 42 -4.504 -10.615 0.564 372 2HB ASN 42 1HB ASN 42 -4.504 -9.024 1.319 373 1HD2 ASN 42 1HD2 ASN 42 -6.342 -11.925 0.724 374 2HD2 ASN 42 2HD2 ASN 42 -7.654 -11.571 1.766 375 H GLU 43 H GLU 43 -5.183 -7.999 -2.904 376 HA GLU 43 HA GLU 43 -2.407 -7.095 -2.557 377 1HB GLU 43 2HB GLU 43 -3.997 -7.978 -4.870 378 2HB GLU 43 1HB GLU 43 -2.986 -6.624 -5.248 379 1HG GLU 43 2HG GLU 43 -1.560 -8.327 -5.801 380 2HG GLU 43 1HG GLU 43 -1.168 -8.224 -4.096 381 H LEU 44 H LEU 44 -2.110 -4.894 -3.950 382 HA LEU 44 HA LEU 44 -4.104 -2.959 -3.002 383 1HB LEU 44 2HB LEU 44 -1.367 -2.942 -3.100 384 2HB LEU 44 1HB LEU 44 -1.746 -2.192 -4.631 385 HG LEU 44 HG LEU 44 -2.528 -1.153 -1.902 386 1HD1 LEU 44 1HD1 LEU 44 -1.093 0.644 -2.429 387 2HD1 LEU 44 2HD1 LEU 44 -0.635 -0.180 -3.942 388 3HD1 LEU 44 3HD1 LEU 44 -0.259 -0.922 -2.353 389 1HD2 LEU 44 1HD2 LEU 44 -4.219 -0.515 -3.533 390 2HD2 LEU 44 2HD2 LEU 44 -2.931 0.160 -4.563 391 3HD2 LEU 44 3HD2 LEU 44 -3.247 0.847 -2.971 392 H SER 45 H SER 45 -5.170 -1.571 -4.583 393 HA SER 45 HA SER 45 -5.098 -2.709 -7.223 394 1HB SER 45 2HB SER 45 -6.951 -0.480 -6.348 395 2HB SER 45 1HB SER 45 -7.149 -1.599 -7.684 396 HG SER 45 HG SER 45 -7.029 -2.413 -4.997 397 H PHE 46 H PHE 46 -4.104 -1.741 -8.890 398 HA PHE 46 HA PHE 46 -3.574 1.052 -8.895 399 1HB PHE 46 2HB PHE 46 -1.054 0.697 -9.057 400 2HB PHE 46 1HB PHE 46 -1.773 0.590 -7.456 401 HD1 PHE 46 1HD PHE 46 -0.515 -1.465 -10.282 402 HD2 PHE 46 2HD PHE 46 -1.477 -1.312 -6.155 403 HE1 PHE 46 1HE PHE 46 0.563 -3.649 -9.955 404 HE2 PHE 46 2HE PHE 46 -0.404 -3.492 -5.821 405 HZ PHE 46 HZ PHE 46 0.616 -4.667 -7.722 406 H LYS 47 H LYS 47 -2.360 1.683 -10.802 407 HA LYS 47 HA LYS 47 -2.853 -0.157 -13.026 408 1HB LYS 47 2HB LYS 47 -2.827 2.867 -12.903 409 2HB LYS 47 1HB LYS 47 -2.901 1.949 -14.403 410 1HG LYS 47 2HG LYS 47 -4.876 1.655 -12.190 411 2HG LYS 47 1HG LYS 47 -5.115 2.788 -13.543 412 1HD LYS 47 2HD LYS 47 -5.074 0.951 -15.099 413 2HD LYS 47 1HD LYS 47 -4.631 -0.173 -13.819 414 1HE LYS 47 2HE LYS 47 -6.779 0.154 -12.761 415 2HE LYS 47 1HE LYS 47 -7.218 1.352 -13.980 416 1HZ LYS 47 1HZ LYS 47 -7.299 -0.282 -15.639 417 2HZ LYS 47 2HZ LYS 47 -8.111 -0.969 -14.332 418 3HZ LYS 47 3HZ LYS 47 -6.529 -1.450 -14.710 419 H GLN 48 H GLN 48 -1.263 -0.338 -14.537 420 HA GLN 48 HA GLN 48 1.385 -0.421 -13.686 421 1HB GLN 48 2HB GLN 48 0.416 -1.582 -15.738 422 2HB GLN 48 1HB GLN 48 0.549 -0.055 -16.587 423 1HG GLN 48 2HG GLN 48 2.919 -1.503 -15.389 424 2HG GLN 48 1HG GLN 48 2.368 -1.756 -17.035 425 1HE2 GLN 48 1HE2 GLN 48 4.944 -0.742 -15.988 426 2HE2 GLN 48 2HE2 GLN 48 5.159 0.798 -16.734 427 H GLY 49 H GLY 49 2.794 1.070 -13.235 428 1HA GLY 49 2HA GLY 49 4.045 3.043 -13.441 429 2HA GLY 49 1HA GLY 49 2.975 3.538 -14.741 430 H GLU 50 H GLU 50 1.239 2.619 -11.971 431 HA GLU 50 HA GLU 50 0.145 5.143 -11.432 432 1HB GLU 50 2HB GLU 50 -0.770 2.875 -10.801 433 2HB GLU 50 1HB GLU 50 0.383 2.855 -9.496 434 1HG GLU 50 2HG GLU 50 -1.848 3.520 -8.724 435 2HG GLU 50 1HG GLU 50 -0.632 4.768 -8.447 436 H GLN 51 H GLN 51 2.830 3.516 -10.177 437 HA GLN 51 HA GLN 51 4.659 4.101 -8.962 438 1HB GLN 51 2HB GLN 51 3.481 6.902 -8.921 439 2HB GLN 51 1HB GLN 51 5.075 6.487 -8.293 440 1HG GLN 51 2HG GLN 51 5.862 5.893 -10.454 441 2HG GLN 51 1HG GLN 51 4.243 5.979 -11.133 442 1HE2 GLN 51 1HE2 GLN 51 5.525 8.437 -8.921 443 2HE2 GLN 51 2HE2 GLN 51 5.644 9.640 -10.144 444 H ILE 52 H ILE 52 4.613 2.983 -7.341 445 HA ILE 52 HA ILE 52 2.661 3.339 -5.187 446 HB ILE 52 HB ILE 52 4.301 0.894 -5.922 447 1HG1 ILE 52 2HG1 ILE 52 1.557 1.708 -6.938 448 2HG1 ILE 52 1HG1 ILE 52 3.034 1.466 -7.849 449 1HG2 ILE 52 1HG2 ILE 52 3.347 0.882 -3.661 450 2HG2 ILE 52 2HG2 ILE 52 2.563 -0.327 -4.677 451 3HG2 ILE 52 3HG2 ILE 52 1.745 1.198 -4.328 452 1HD1 ILE 52 1HD1 ILE 52 3.007 -0.874 -7.368 453 2HD1 ILE 52 2HD1 ILE 52 1.499 -0.363 -8.121 454 3HD1 ILE 52 3HD1 ILE 52 1.558 -0.677 -6.387 455 H GLU 53 H GLU 53 3.709 2.772 -3.035 456 HA GLU 53 HA GLU 53 6.602 3.317 -3.068 457 1HB GLU 53 2HB GLU 53 4.776 4.196 -0.845 458 2HB GLU 53 1HB GLU 53 6.403 4.701 -1.230 459 1HG GLU 53 2HG GLU 53 5.748 5.912 -3.134 460 2HG GLU 53 1HG GLU 53 4.100 5.319 -3.049 461 H ILE 54 H ILE 54 7.777 1.984 -1.766 462 HA ILE 54 HA ILE 54 6.278 -0.241 -0.625 463 HB ILE 54 HB ILE 54 8.131 -0.848 -2.164 464 1HG1 ILE 54 2HG1 ILE 54 9.393 -2.402 -0.656 465 2HG1 ILE 54 1HG1 ILE 54 8.562 -1.648 0.700 466 1HG2 ILE 54 1HG2 ILE 54 10.456 -0.545 -1.520 467 2HG2 ILE 54 2HG2 ILE 54 9.937 0.406 -0.132 468 3HG2 ILE 54 3HG2 ILE 54 9.634 0.992 -1.762 469 1HD1 ILE 54 1HD1 ILE 54 6.439 -2.349 -0.212 470 2HD1 ILE 54 2HD1 ILE 54 7.535 -3.702 0.075 471 3HD1 ILE 54 3HD1 ILE 54 7.280 -3.113 -1.572 472 H ILE 55 H ILE 55 6.066 -0.540 1.441 473 HA ILE 55 HA ILE 55 7.729 1.060 3.245 474 HB ILE 55 HB ILE 55 5.836 0.756 4.959 475 1HG1 ILE 55 2HG1 ILE 55 4.614 -0.889 3.350 476 2HG1 ILE 55 1HG1 ILE 55 3.617 0.212 4.280 477 1HG2 ILE 55 1HG2 ILE 55 5.436 2.595 2.622 478 2HG2 ILE 55 2HG2 ILE 55 6.390 2.903 4.074 479 3HG2 ILE 55 3HG2 ILE 55 4.636 2.751 4.185 480 1HD1 ILE 55 1HD1 ILE 55 3.487 1.664 2.290 481 2HD1 ILE 55 2HD1 ILE 55 2.855 0.041 1.993 482 3HD1 ILE 55 3HD1 ILE 55 4.457 0.493 1.405 483 H ARG 56 H ARG 56 6.331 -2.144 2.757 484 HA ARG 56 HA ARG 56 8.403 -3.001 4.606 485 1HB ARG 56 2HB ARG 56 6.073 -2.909 5.730 486 2HB ARG 56 1HB ARG 56 5.710 -4.303 4.727 487 1HG ARG 56 2HG ARG 56 6.447 -5.356 6.628 488 2HG ARG 56 1HG ARG 56 7.921 -5.245 5.690 489 1HD ARG 56 2HD ARG 56 7.089 -3.476 7.980 490 2HD ARG 56 1HD ARG 56 8.397 -4.638 7.942 491 HE ARG 56 HE ARG 56 8.465 -2.296 6.166 492 1HH1 ARG 56 1HH1 ARG 56 9.949 -4.218 8.771 493 2HH1 ARG 56 2HH1 ARG 56 11.345 -3.251 8.841 494 1HH2 ARG 56 1HH2 ARG 56 10.357 -1.027 6.266 495 2HH2 ARG 56 2HH2 ARG 56 11.601 -1.375 7.359 496 H ILE 57 H ILE 57 9.462 -4.709 3.991 497 HA ILE 57 HA ILE 57 8.474 -6.344 1.760 498 HB ILE 57 HB ILE 57 10.949 -6.613 1.127 499 1HG1 ILE 57 2HG1 ILE 57 11.841 -5.435 3.200 500 2HG1 ILE 57 1HG1 ILE 57 12.553 -4.929 1.674 501 1HG2 ILE 57 1HG2 ILE 57 10.977 -4.648 -0.307 502 2HG2 ILE 57 2HG2 ILE 57 9.613 -3.993 0.599 503 3HG2 ILE 57 3HG2 ILE 57 9.429 -5.494 -0.311 504 1HD1 ILE 57 1HD1 ILE 57 10.422 -3.463 3.219 505 2HD1 ILE 57 2HD1 ILE 57 11.070 -2.948 1.683 506 3HD1 ILE 57 3HD1 ILE 57 12.119 -2.979 3.116 507 H THR 58 H THR 58 9.635 -6.225 4.932 508 HA THR 58 HA THR 58 10.484 -8.989 4.859 509 HB THR 58 HB THR 58 11.602 -8.118 7.053 510 HG1 THR 58 1HG THR 58 11.708 -6.043 7.216 511 1HG2 THR 58 1HG2 THR 58 12.594 -7.460 4.285 512 2HG2 THR 58 2HG2 THR 58 12.742 -9.023 5.097 513 3HG2 THR 58 3HG2 THR 58 13.603 -7.611 5.734 514 H ASP 59 H ASP 59 10.088 -10.168 6.755 515 HA ASP 59 HA ASP 59 8.696 -11.225 8.086 516 1HB ASP 59 2HB ASP 59 9.457 -9.513 9.742 517 2HB ASP 59 1HB ASP 59 8.047 -8.533 9.327 518 H ASN 60 H ASN 60 7.628 -11.664 6.267 519 HA ASN 60 HA ASN 60 4.885 -10.677 6.284 520 1HB ASN 60 2HB ASN 60 4.909 -11.017 3.756 521 2HB ASN 60 1HB ASN 60 5.774 -9.627 4.381 522 1HD2 ASN 60 1HD2 ASN 60 6.978 -9.541 2.452 523 2HD2 ASN 60 2HD2 ASN 60 8.272 -10.636 2.148 524 HA PRO 61 HA PRO 61 3.768 -14.936 6.615 525 1HB PRO 61 2HB PRO 61 1.172 -14.095 5.476 526 2HB PRO 61 1HB PRO 61 1.528 -14.814 7.050 527 1HG PRO 61 2HG PRO 61 0.842 -12.243 6.839 528 2HG PRO 61 1HG PRO 61 2.069 -12.774 8.010 529 1HD PRO 61 2HD PRO 61 2.439 -11.498 5.322 530 2HD PRO 61 1HD PRO 61 3.261 -11.143 6.858 531 H GLU 62 H GLU 62 2.633 -13.279 3.644 532 HA GLU 62 HA GLU 62 2.576 -15.807 2.203 533 1HB GLU 62 2HB GLU 62 1.880 -12.998 1.360 534 2HB GLU 62 1HB GLU 62 1.763 -14.397 0.308 535 1HG GLU 62 2HG GLU 62 0.083 -15.368 1.716 536 2HG GLU 62 1HG GLU 62 0.253 -14.052 2.888 537 H GLY 63 H GLY 63 4.661 -13.128 2.599 538 1HA GLY 63 2HA GLY 63 6.923 -13.098 1.851 539 2HA GLY 63 1HA GLY 63 6.496 -14.276 0.613 540 H LYS 64 H LYS 64 4.200 -11.941 0.831 541 HA LYS 64 HA LYS 64 4.997 -10.665 -1.635 542 1HB LYS 64 2HB LYS 64 2.724 -10.030 -1.766 543 2HB LYS 64 1HB LYS 64 2.660 -11.621 -1.029 544 1HG LYS 64 2HG LYS 64 2.599 -10.332 1.207 545 2HG LYS 64 1HG LYS 64 2.185 -8.940 0.215 546 1HD LYS 64 2HD LYS 64 0.656 -11.508 0.579 547 2HD LYS 64 1HD LYS 64 0.144 -9.872 0.975 548 1HE LYS 64 2HE LYS 64 0.166 -9.363 -1.479 549 2HE LYS 64 1HE LYS 64 0.535 -11.076 -1.738 550 1HZ LYS 64 1HZ LYS 64 -1.566 -11.611 -0.571 551 2HZ LYS 64 2HZ LYS 64 -1.753 -10.734 -2.024 552 3HZ LYS 64 3HZ LYS 64 -1.942 -9.940 -0.575 553 H TRP 65 H TRP 65 4.750 -8.220 -1.616 554 HA TRP 65 HA TRP 65 6.114 -7.163 0.737 555 1HB TRP 65 2HB TRP 65 5.758 -6.117 -2.062 556 2HB TRP 65 1HB TRP 65 6.496 -5.169 -0.789 557 HD1 TRP 65 HD TRP 65 8.056 -8.020 0.254 558 HE1 TRP 65 1HE TRP 65 10.232 -8.597 -0.994 559 HE3 TRP 65 3HE TRP 65 7.349 -5.211 -3.971 560 HZ2 TRP 65 2HZ TRP 65 11.475 -7.951 -3.436 561 HZ3 TRP 65 3HZ TRP 65 9.087 -5.250 -5.706 562 HH2 TRP 65 HH TRP 65 11.106 -6.591 -5.445 563 H LEU 66 H LEU 66 5.479 -4.736 1.099 564 HA LEU 66 HA LEU 66 2.552 -4.494 0.944 565 1HB LEU 66 2HB LEU 66 3.295 -4.827 3.260 566 2HB LEU 66 1HB LEU 66 4.421 -3.492 3.096 567 HG LEU 66 HG LEU 66 2.483 -1.962 2.763 568 1HD1 LEU 66 1HD1 LEU 66 0.841 -3.570 1.989 569 2HD1 LEU 66 2HD1 LEU 66 0.280 -2.703 3.423 570 3HD1 LEU 66 3HD1 LEU 66 0.869 -4.354 3.573 571 1HD2 LEU 66 1HD2 LEU 66 2.495 -3.534 5.316 572 2HD2 LEU 66 2HD2 LEU 66 1.818 -1.919 5.089 573 3HD2 LEU 66 3HD2 LEU 66 3.552 -2.185 4.914 574 H GLY 67 H GLY 67 2.074 -2.989 -0.512 575 1HA GLY 67 2HA GLY 67 3.919 -0.740 -0.749 576 2HA GLY 67 1HA GLY 67 2.988 -1.392 -2.105 577 H ARG 68 H ARG 68 2.962 1.272 -1.259 578 HA ARG 68 HA ARG 68 0.118 1.536 -0.530 579 1HB ARG 68 2HB ARG 68 1.443 2.038 1.427 580 2HB ARG 68 1HB ARG 68 2.419 3.225 0.555 581 1HG ARG 68 2HG ARG 68 0.179 4.454 0.246 582 2HG ARG 68 1HG ARG 68 -0.466 3.390 1.488 583 1HD ARG 68 2HD ARG 68 0.224 5.382 2.563 584 2HD ARG 68 1HD ARG 68 1.426 4.161 2.965 585 HE ARG 68 HE ARG 68 2.336 5.528 0.701 586 1HH1 ARG 68 1HH1 ARG 68 1.642 6.353 4.089 587 2HH1 ARG 68 2HH1 ARG 68 2.854 7.541 4.170 588 1HH2 ARG 68 1HH2 ARG 68 3.865 7.169 0.803 589 2HH2 ARG 68 2HH2 ARG 68 4.116 8.090 2.238 590 H THR 69 H THR 69 -0.857 3.259 -1.300 591 HA THR 69 HA THR 69 0.307 4.561 -3.682 592 HB THR 69 HB THR 69 -2.579 4.596 -2.691 593 HG1 THR 69 1HG THR 69 -1.128 2.595 -3.765 594 1HG2 THR 69 1HG2 THR 69 -3.115 5.101 -5.033 595 2HG2 THR 69 2HG2 THR 69 -1.404 5.020 -5.452 596 3HG2 THR 69 3HG2 THR 69 -1.992 6.301 -4.392 597 H ALA 70 H ALA 70 0.091 6.962 -3.742 598 HA ALA 70 HA ALA 70 1.127 8.208 -1.533 599 1HB ALA 70 1HB ALA 70 -0.464 9.544 -3.706 600 2HB ALA 70 2HB ALA 70 1.230 9.064 -3.825 601 3HB ALA 70 3HB ALA 70 0.744 10.300 -2.665 602 H ARG 71 H ARG 71 -2.259 7.811 -2.227 603 HA ARG 71 HA ARG 71 -3.146 9.693 -0.223 604 1HB ARG 71 2HB ARG 71 -5.379 8.954 -0.770 605 2HB ARG 71 1HB ARG 71 -4.452 9.198 -2.246 606 1HG ARG 71 2HG ARG 71 -4.058 6.769 -2.361 607 2HG ARG 71 1HG ARG 71 -5.077 6.560 -0.937 608 1HD ARG 71 2HD ARG 71 -6.352 6.100 -2.911 609 2HD ARG 71 1HD ARG 71 -6.940 7.589 -2.173 610 HE ARG 71 HE ARG 71 -5.744 8.814 -3.882 611 1HH1 ARG 71 1HH1 ARG 71 -6.237 5.320 -4.502 612 2HH1 ARG 71 2HH1 ARG 71 -6.108 5.470 -6.179 613 1HH2 ARG 71 1HH2 ARG 71 -5.668 8.995 -6.221 614 2HH2 ARG 71 2HH2 ARG 71 -5.822 7.592 -7.183 615 H GLY 72 H GLY 72 -1.979 6.556 -0.065 616 1HA GLY 72 2HA GLY 72 -1.684 5.283 1.855 617 2HA GLY 72 1HA GLY 72 -2.946 6.156 2.682 618 H SER 73 H SER 73 -2.116 3.424 0.782 619 HA SER 73 HA SER 73 -4.544 2.138 1.131 620 1HB SER 73 2HB SER 73 -3.363 2.507 -1.595 621 2HB SER 73 1HB SER 73 -4.812 1.603 -1.217 622 HG SER 73 HG SER 73 -5.786 3.527 -0.525 623 H TYR 74 H TYR 74 -3.705 0.369 1.667 624 HA TYR 74 HA TYR 74 -0.890 -0.229 1.054 625 1HB TYR 74 2HB TYR 74 -2.570 -0.575 3.354 626 2HB TYR 74 1HB TYR 74 -1.142 -1.612 3.244 627 HD1 TYR 74 1HD TYR 74 -2.398 1.857 3.733 628 HD2 TYR 74 2HD TYR 74 0.981 -0.702 3.882 629 HE1 TYR 74 1HE TYR 74 -1.157 3.563 5.007 630 HE2 TYR 74 2HE TYR 74 2.232 0.987 5.132 631 HH TYR 74 HH TYR 74 2.241 3.280 5.648 632 H GLY 75 H GLY 75 -1.340 -1.538 -0.629 633 1HA GLY 75 2HA GLY 75 -2.938 -3.831 0.059 634 2HA GLY 75 1HA GLY 75 -2.669 -3.225 -1.583 635 H TYR 76 H TYR 76 -1.586 -4.885 0.911 636 HA TYR 76 HA TYR 76 1.050 -5.510 0.535 637 1HB TYR 76 2HB TYR 76 -0.495 -7.991 0.802 638 2HB TYR 76 1HB TYR 76 0.601 -7.238 1.957 639 HD1 TYR 76 1HD TYR 76 -0.300 -5.646 3.686 640 HD2 TYR 76 2HD TYR 76 -2.848 -7.593 0.900 641 HE1 TYR 76 1HE TYR 76 -2.255 -4.982 4.989 642 HE2 TYR 76 2HE TYR 76 -4.805 -6.933 2.197 643 HH TYR 76 HH TYR 76 -4.744 -4.605 4.543 644 H ILE 77 H ILE 77 1.905 -5.541 -1.428 645 HA ILE 77 HA ILE 77 0.608 -6.495 -3.737 646 HB ILE 77 HB ILE 77 2.951 -6.098 -4.593 647 1HG1 ILE 77 2HG1 ILE 77 3.000 -4.472 -2.052 648 2HG1 ILE 77 1HG1 ILE 77 4.085 -5.774 -2.516 649 1HG2 ILE 77 1HG2 ILE 77 1.069 -3.892 -3.695 650 2HG2 ILE 77 2HG2 ILE 77 0.977 -4.796 -5.218 651 3HG2 ILE 77 3HG2 ILE 77 2.320 -3.673 -4.925 652 1HD1 ILE 77 1HD1 ILE 77 3.863 -3.093 -3.835 653 2HD1 ILE 77 2HD1 ILE 77 4.954 -4.400 -4.308 654 3HD1 ILE 77 3HD1 ILE 77 5.144 -3.616 -2.733 655 H LYS 78 H LYS 78 1.028 -8.202 -4.802 656 HA LYS 78 HA LYS 78 3.010 -9.970 -3.824 657 1HB LYS 78 2HB LYS 78 2.449 -11.316 -5.810 658 2HB LYS 78 1HB LYS 78 0.987 -10.882 -4.934 659 1HG LYS 78 2HG LYS 78 0.515 -9.149 -6.518 660 2HG LYS 78 1HG LYS 78 2.117 -9.490 -7.225 661 1HD LYS 78 2HD LYS 78 0.162 -10.474 -8.531 662 2HD LYS 78 1HD LYS 78 1.376 -11.641 -8.012 663 1HE LYS 78 2HE LYS 78 -0.019 -12.291 -6.142 664 2HE LYS 78 1HE LYS 78 -1.209 -11.065 -6.576 665 1HZ LYS 78 1HZ LYS 78 -1.906 -13.197 -7.342 666 2HZ LYS 78 2HZ LYS 78 -0.444 -13.430 -8.178 667 3HZ LYS 78 3HZ LYS 78 -1.521 -12.220 -8.678 668 H THR 79 H THR 79 4.703 -9.464 -4.167 669 HA THR 79 HA THR 79 6.328 -7.590 -5.157 670 HB THR 79 HB THR 79 8.223 -9.114 -5.254 671 HG1 THR 79 1HG THR 79 7.962 -11.114 -5.887 672 1HG2 THR 79 1HG2 THR 79 7.930 -10.328 -3.151 673 2HG2 THR 79 2HG2 THR 79 6.184 -10.096 -3.251 674 3HG2 THR 79 3HG2 THR 79 7.248 -8.707 -3.040 675 H THR 80 H THR 80 5.212 -10.258 -7.158 676 HA THR 80 HA THR 80 6.591 -9.558 -9.529 677 HB THR 80 HB THR 80 5.854 -11.830 -9.260 678 HG1 THR 80 1HG THR 80 5.733 -11.700 -11.385 679 1HG2 THR 80 1HG2 THR 80 3.923 -11.442 -7.834 680 2HG2 THR 80 2HG2 THR 80 3.461 -12.465 -9.192 681 3HG2 THR 80 3HG2 THR 80 3.034 -10.754 -9.181 682 H ALA 81 H ALA 81 3.875 -8.024 -8.078 683 HA ALA 81 HA ALA 81 2.768 -7.165 -10.610 684 1HB ALA 81 1HB ALA 81 1.247 -7.774 -8.792 685 2HB ALA 81 2HB ALA 81 1.051 -6.082 -9.259 686 3HB ALA 81 3HB ALA 81 1.937 -6.496 -7.790 687 H VAL 82 H VAL 82 5.267 -6.217 -8.602 688 HA VAL 82 HA VAL 82 5.177 -3.543 -9.775 689 HB VAL 82 HB VAL 82 6.168 -2.544 -7.745 690 1HG1 VAL 82 1HG1 VAL 82 3.448 -3.779 -7.294 691 2HG1 VAL 82 2HG1 VAL 82 3.803 -2.252 -8.108 692 3HG1 VAL 82 3HG1 VAL 82 4.133 -2.425 -6.398 693 1HG2 VAL 82 1HG2 VAL 82 5.469 -5.176 -6.450 694 2HG2 VAL 82 2HG2 VAL 82 5.978 -3.728 -5.591 695 3HG2 VAL 82 3HG2 VAL 82 7.094 -4.533 -6.699 696 H GLU 83 H GLU 83 7.163 -2.464 -9.683 697 HA GLU 83 HA GLU 83 9.570 -4.102 -9.447 698 1HB GLU 83 2HB GLU 83 8.907 -2.000 -11.511 699 2HB GLU 83 1HB GLU 83 10.483 -2.777 -11.356 700 1HG GLU 83 2HG GLU 83 9.404 -4.936 -11.872 701 2HG GLU 83 1HG GLU 83 7.885 -4.085 -12.140 702 H ILE 84 H ILE 84 10.544 -3.177 -7.693 703 HA ILE 84 HA ILE 84 9.716 -0.547 -6.952 704 HB ILE 84 HB ILE 84 11.182 -0.608 -5.027 705 1HG1 ILE 84 2HG1 ILE 84 12.178 -3.311 -5.914 706 2HG1 ILE 84 1HG1 ILE 84 13.051 -1.817 -6.245 707 1HG2 ILE 84 1HG2 ILE 84 10.281 -2.565 -3.860 708 2HG2 ILE 84 2HG2 ILE 84 9.748 -3.226 -5.404 709 3HG2 ILE 84 3HG2 ILE 84 9.056 -1.717 -4.804 710 1HD1 ILE 84 1HD1 ILE 84 13.928 -2.943 -4.292 711 2HD1 ILE 84 2HD1 ILE 84 12.333 -2.862 -3.520 712 3HD1 ILE 84 3HD1 ILE 84 13.221 -1.382 -3.876 713 H ASP 85 H ASP 85 11.454 1.110 -6.327 714 HA ASP 85 HA ASP 85 13.158 1.514 -8.572 715 1HB ASP 85 2HB ASP 85 12.186 3.434 -7.440 716 2HB ASP 85 1HB ASP 85 12.966 2.958 -5.933 717 H TYR 86 H TYR 86 14.648 0.079 -8.779 718 HA TYR 86 HA TYR 86 16.139 -1.013 -6.532 719 1HB TYR 86 2HB TYR 86 16.487 -1.552 -9.498 720 2HB TYR 86 1HB TYR 86 17.156 -2.492 -8.182 721 HD1 TYR 86 1HD TYR 86 14.355 -1.983 -10.365 722 HD2 TYR 86 2HD TYR 86 15.559 -3.871 -6.755 723 HE1 TYR 86 1HE TYR 86 12.385 -3.441 -10.486 724 HE2 TYR 86 2HE TYR 86 13.585 -5.342 -6.864 725 HH TYR 86 HH TYR 86 11.667 -5.641 -9.641 726 H ASP 87 H ASP 87 18.362 -0.706 -6.221 727 HA ASP 87 HA ASP 87 19.774 1.016 -8.128 728 1HB ASP 87 2HB ASP 87 19.358 2.182 -5.906 729 2HB ASP 87 1HB ASP 87 20.271 0.899 -5.124 730 H SER 88 H SER 88 20.532 -0.713 -9.204 731 HA SER 88 HA SER 88 21.924 -2.791 -7.657 732 1HB SER 88 2HB SER 88 20.824 -3.067 -10.442 733 2HB SER 88 1HB SER 88 21.298 -4.346 -9.322 734 HG SER 88 HG SER 88 19.070 -2.705 -9.378 735 H LEU 89 H LEU 89 22.276 -0.366 -10.096 736 HA LEU 89 HA LEU 89 25.101 -0.978 -10.290 737 1HB LEU 89 2HB LEU 89 24.023 -2.111 -12.223 738 2HB LEU 89 1HB LEU 89 23.321 -0.581 -12.705 739 HG LEU 89 HG LEU 89 25.607 0.312 -13.067 740 1HD1 LEU 89 1HD1 LEU 89 26.820 -1.125 -11.537 741 2HD1 LEU 89 2HD1 LEU 89 27.484 -1.235 -13.167 742 3HD1 LEU 89 3HD1 LEU 89 26.459 -2.527 -12.545 743 1HD2 LEU 89 1HD2 LEU 89 24.320 -0.595 -14.917 744 2HD2 LEU 89 2HD2 LEU 89 24.950 -2.206 -14.581 745 3HD2 LEU 89 3HD2 LEU 89 26.037 -0.929 -15.124 746 H LYS 90 H LYS 90 25.869 0.848 -9.498 747 HA LYS 90 HA LYS 90 24.415 3.299 -9.489 748 1HB LYS 90 2HB LYS 90 26.075 2.505 -7.737 749 2HB LYS 90 1HB LYS 90 27.349 2.934 -8.867 750 1HG LYS 90 2HG LYS 90 27.136 4.742 -7.351 751 2HG LYS 90 1HG LYS 90 26.412 5.278 -8.869 752 1HD LYS 90 2HD LYS 90 24.980 5.940 -7.034 753 2HD LYS 90 1HD LYS 90 24.176 4.668 -7.957 754 1HE LYS 90 2HE LYS 90 24.981 3.007 -6.318 755 2HE LYS 90 1HE LYS 90 25.711 4.311 -5.388 756 1HZ LYS 90 1HZ LYS 90 23.439 5.240 -5.102 757 2HZ LYS 90 2HZ LYS 90 23.624 3.704 -4.439 758 3HZ LYS 90 3HZ LYS 90 22.827 3.873 -5.898 759 H LEU 91 H LEU 91 27.131 2.036 -11.301 760 HA LEU 91 HA LEU 91 27.072 4.419 -13.016 761 1HB LEU 91 2HB LEU 91 29.296 2.469 -12.428 762 2HB LEU 91 1HB LEU 91 29.336 3.516 -13.821 763 HG LEU 91 HG LEU 91 29.367 5.487 -12.310 764 1HD1 LEU 91 1HD1 LEU 91 28.262 4.549 -10.355 765 2HD1 LEU 91 2HD1 LEU 91 29.849 5.201 -9.938 766 3HD1 LEU 91 3HD1 LEU 91 29.624 3.460 -10.099 767 1HD2 LEU 91 1HD2 LEU 91 31.662 5.180 -11.548 768 2HD2 LEU 91 2HD2 LEU 91 31.421 4.566 -13.185 769 3HD2 LEU 91 3HD2 LEU 91 31.521 3.445 -11.829 770 H LYS 92 H LYS 92 25.520 3.841 -14.463 771 HA LYS 92 HA LYS 92 25.708 1.278 -15.790 772 1HB LYS 92 2HB LYS 92 23.856 3.627 -16.272 773 2HB LYS 92 1HB LYS 92 23.742 2.073 -17.090 774 1HG LYS 92 2HG LYS 92 23.298 0.962 -14.992 775 2HG LYS 92 1HG LYS 92 23.497 2.483 -14.123 776 1HD LYS 92 2HD LYS 92 21.572 3.400 -15.359 777 2HD LYS 92 1HD LYS 92 21.358 1.835 -16.152 778 1HE LYS 92 2HE LYS 92 20.988 0.763 -14.019 779 2HE LYS 92 1HE LYS 92 21.308 2.277 -13.175 780 1HZ LYS 92 1HZ LYS 92 18.978 1.729 -14.971 781 2HZ LYS 92 2HZ LYS 92 19.348 3.219 -14.283 782 3HZ LYS 92 3HZ LYS 92 18.987 1.911 -13.295 783 H LYS 93 H LYS 93 26.672 0.924 -17.648 784 HA LYS 93 HA LYS 93 28.185 3.158 -18.706 785 1HB LYS 93 2HB LYS 93 28.602 0.191 -18.966 786 2HB LYS 93 1HB LYS 93 29.533 1.377 -19.869 787 1HG LYS 93 2HG LYS 93 30.312 2.359 -17.756 788 2HG LYS 93 1HG LYS 93 29.406 1.131 -16.870 789 1HD LYS 93 2HD LYS 93 30.755 -0.622 -17.845 790 2HD LYS 93 1HD LYS 93 31.595 0.551 -18.863 791 1HE LYS 93 2HE LYS 93 32.510 1.634 -16.885 792 2HE LYS 93 1HE LYS 93 31.634 0.508 -15.848 793 1HZ LYS 93 1HZ LYS 93 33.700 -0.306 -17.825 794 2HZ LYS 93 2HZ LYS 93 32.972 -1.294 -16.653 795 3HZ LYS 93 3HZ LYS 93 33.999 -0.035 -16.201 796 H ASP 94 H ASP 94 27.077 4.195 -20.105 797 HA ASP 94 HA ASP 94 26.359 2.801 -22.572 798 1HB ASP 94 2HB ASP 94 24.219 3.822 -22.757 799 2HB ASP 94 1HB ASP 94 24.292 3.197 -21.119 800 H LEU 95 H LEU 95 28.265 4.896 -21.173 801 HA LEU 95 HA LEU 95 28.167 6.926 -23.258 802 1HB LEU 95 2HB LEU 95 28.137 7.726 -20.943 803 2HB LEU 95 1HB LEU 95 29.591 6.815 -20.598 804 HG LEU 95 HG LEU 95 30.819 8.253 -22.211 805 1HD1 LEU 95 1HD1 LEU 95 28.953 8.944 -23.590 806 2HD1 LEU 95 2HD1 LEU 95 29.803 10.341 -22.929 807 3HD1 LEU 95 3HD1 LEU 95 28.263 9.834 -22.233 808 1HD2 LEU 95 1HD2 LEU 95 30.884 8.700 -19.829 809 2HD2 LEU 95 2HD2 LEU 95 29.421 9.675 -19.958 810 3HD2 LEU 95 3HD2 LEU 95 30.907 10.205 -20.749 811 H GLU 96 H GLU 96 29.687 6.883 -24.751 812 HA GLU 96 HA GLU 96 31.722 4.839 -24.751 813 1HB GLU 96 2HB GLU 96 31.207 7.073 -26.725 814 2HB GLU 96 1HB GLU 96 32.255 5.685 -26.983 815 1HG GLU 96 2HG GLU 96 30.308 4.210 -26.838 816 2HG GLU 96 1HG GLU 96 29.272 5.622 -26.626 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 -26.335 14.277 20.523 2 2H GLU 1 2HT GLU 1 -25.762 13.192 19.363 3 3H GLU 1 3HT GLU 1 -25.631 14.868 19.113 4 HA GLU 1 HA GLU 1 -24.096 15.074 20.907 5 1HB GLU 1 2HB GLU 1 -24.447 12.077 21.242 6 2HB GLU 1 1HB GLU 1 -23.234 13.040 22.057 7 1HG GLU 1 2HG GLU 1 -24.981 12.592 23.605 8 2HG GLU 1 1HG GLU 1 -25.085 14.295 23.169 9 H LYS 2 H LYS 2 -24.445 13.791 17.929 10 HA LYS 2 HA LYS 2 -23.189 13.223 16.260 11 1HB LYS 2 2HB LYS 2 -21.879 15.253 16.805 12 2HB LYS 2 1HB LYS 2 -20.864 14.309 17.881 13 1HG LYS 2 2HG LYS 2 -19.746 14.752 15.760 14 2HG LYS 2 1HG LYS 2 -20.034 13.024 15.976 15 1HD LYS 2 2HD LYS 2 -22.005 13.169 14.546 16 2HD LYS 2 1HD LYS 2 -21.740 14.901 14.347 17 1HE LYS 2 2HE LYS 2 -19.615 14.466 13.255 18 2HE LYS 2 1HE LYS 2 -19.828 12.732 13.503 19 1HZ LYS 2 1HZ LYS 2 -20.452 13.364 11.266 20 2HZ LYS 2 2HZ LYS 2 -21.590 14.475 11.871 21 3HZ LYS 2 3HZ LYS 2 -21.812 12.825 12.126 22 H LYS 3 H LYS 3 -23.804 11.070 16.745 23 HA LYS 3 HA LYS 3 -21.524 9.467 17.610 24 1HB LYS 3 2HB LYS 3 -24.453 8.677 17.537 25 2HB LYS 3 1HB LYS 3 -23.128 7.664 18.089 26 1HG LYS 3 2HG LYS 3 -24.086 10.212 19.381 27 2HG LYS 3 1HG LYS 3 -24.346 8.571 19.972 28 1HD LYS 3 2HD LYS 3 -21.640 9.850 19.600 29 2HD LYS 3 1HD LYS 3 -22.509 9.794 21.131 30 1HE LYS 3 2HE LYS 3 -22.420 7.372 21.130 31 2HE LYS 3 1HE LYS 3 -21.672 7.374 19.533 32 1HZ LYS 3 1HZ LYS 3 -20.453 8.625 21.938 33 2HZ LYS 3 2HZ LYS 3 -19.748 8.403 20.408 34 3HZ LYS 3 3HZ LYS 3 -20.070 7.067 21.378 35 H GLU 4 H GLU 4 -20.503 9.433 15.724 36 HA GLU 4 HA GLU 4 -21.896 8.254 13.433 37 1HB GLU 4 2HB GLU 4 -20.877 10.609 13.290 38 2HB GLU 4 1HB GLU 4 -19.312 9.846 13.490 39 1HG GLU 4 2HG GLU 4 -21.218 9.309 11.226 40 2HG GLU 4 1HG GLU 4 -19.866 10.434 11.164 41 H GLN 5 H GLN 5 -21.394 6.126 13.273 42 HA GLN 5 HA GLN 5 -18.886 5.205 14.530 43 1HB GLN 5 2HB GLN 5 -21.577 3.846 14.556 44 2HB GLN 5 1HB GLN 5 -20.107 3.258 15.309 45 1HG GLN 5 2HG GLN 5 -21.474 5.828 16.082 46 2HG GLN 5 1HG GLN 5 -21.784 4.277 16.852 47 1HE2 GLN 5 1HE2 GLN 5 -21.139 5.092 18.786 48 2HE2 GLN 5 2HE2 GLN 5 -19.475 5.332 19.218 49 H LYS 6 H LYS 6 -19.895 5.671 11.565 50 HA LYS 6 HA LYS 6 -19.414 2.894 10.709 51 1HB LYS 6 2HB LYS 6 -21.244 4.908 9.428 52 2HB LYS 6 1HB LYS 6 -20.769 3.397 8.671 53 1HG LYS 6 2HG LYS 6 -21.775 2.177 10.580 54 2HG LYS 6 1HG LYS 6 -22.330 3.722 11.225 55 1HD LYS 6 2HD LYS 6 -24.110 2.596 9.991 56 2HD LYS 6 1HD LYS 6 -23.640 4.096 9.185 57 1HE LYS 6 2HE LYS 6 -22.251 2.832 7.626 58 2HE LYS 6 1HE LYS 6 -22.686 1.335 8.441 59 1HZ LYS 6 1HZ LYS 6 -23.902 1.735 6.411 60 2HZ LYS 6 2HZ LYS 6 -24.637 3.126 7.086 61 3HZ LYS 6 3HZ LYS 6 -24.922 1.581 7.748 62 H GLU 7 H GLU 7 -18.789 6.277 9.976 63 HA GLU 7 HA GLU 7 -17.155 5.434 7.740 64 1HB GLU 7 2HB GLU 7 -18.722 7.295 7.398 65 2HB GLU 7 1HB GLU 7 -17.952 8.197 8.682 66 1HG GLU 7 2HG GLU 7 -16.482 7.383 6.179 67 2HG GLU 7 1HG GLU 7 -17.434 8.856 6.272 68 H LYS 8 H LYS 8 -15.225 4.860 8.130 69 HA LYS 8 HA LYS 8 -13.510 6.719 9.411 70 1HB LYS 8 2HB LYS 8 -12.217 4.917 10.659 71 2HB LYS 8 1HB LYS 8 -13.783 5.290 11.345 72 1HG LYS 8 2HG LYS 8 -13.318 2.922 9.541 73 2HG LYS 8 1HG LYS 8 -13.071 2.853 11.280 74 1HD LYS 8 2HD LYS 8 -15.690 3.739 10.080 75 2HD LYS 8 1HD LYS 8 -15.318 2.037 10.318 76 1HE LYS 8 2HE LYS 8 -16.645 2.880 12.170 77 2HE LYS 8 1HE LYS 8 -15.042 2.444 12.726 78 1HZ LYS 8 1HZ LYS 8 -14.477 4.827 12.841 79 2HZ LYS 8 2HZ LYS 8 -15.877 4.480 13.698 80 3HZ LYS 8 3HZ LYS 8 -16.014 5.235 12.239 81 H GLU 9 H GLU 9 -13.387 7.062 7.235 82 HA GLU 9 HA GLU 9 -12.589 5.263 5.290 83 1HB GLU 9 2HB GLU 9 -11.942 7.226 3.964 84 2HB GLU 9 1HB GLU 9 -13.519 7.395 4.714 85 1HG GLU 9 2HG GLU 9 -12.648 8.882 6.375 86 2HG GLU 9 1HG GLU 9 -10.994 8.573 5.844 87 H LYS 10 H LYS 10 -10.579 6.945 7.605 88 HA LYS 10 HA LYS 10 -8.271 6.023 6.090 89 1HB LYS 10 2HB LYS 10 -8.451 8.203 8.166 90 2HB LYS 10 1HB LYS 10 -6.960 7.668 7.402 91 1HG LYS 10 2HG LYS 10 -7.870 8.315 5.210 92 2HG LYS 10 1HG LYS 10 -9.331 8.897 6.008 93 1HD LYS 10 2HD LYS 10 -7.983 10.492 7.282 94 2HD LYS 10 1HD LYS 10 -6.537 9.915 6.452 95 1HE LYS 10 2HE LYS 10 -7.334 11.971 5.441 96 2HE LYS 10 1HE LYS 10 -7.488 10.627 4.313 97 1HZ LYS 10 1HZ LYS 10 -9.763 11.529 5.995 98 2HZ LYS 10 2HZ LYS 10 -9.842 10.625 4.557 99 3HZ LYS 10 3HZ LYS 10 -9.400 12.244 4.528 100 H LYS 11 H LYS 11 -6.352 5.708 7.687 101 HA LYS 11 HA LYS 11 -5.346 4.352 9.106 102 1HB LYS 11 2HB LYS 11 -6.596 5.410 10.941 103 2HB LYS 11 1HB LYS 11 -7.953 4.328 10.657 104 1HG LYS 11 2HG LYS 11 -6.578 2.423 11.309 105 2HG LYS 11 1HG LYS 11 -5.203 3.501 11.564 106 1HD LYS 11 2HD LYS 11 -6.495 4.703 13.277 107 2HD LYS 11 1HD LYS 11 -7.823 3.558 13.049 108 1HE LYS 11 2HE LYS 11 -6.384 1.730 13.737 109 2HE LYS 11 1HE LYS 11 -5.024 2.838 13.899 110 1HZ LYS 11 1HZ LYS 11 -6.045 2.352 16.028 111 2HZ LYS 11 2HZ LYS 11 -7.530 2.930 15.486 112 3HZ LYS 11 3HZ LYS 11 -6.224 3.985 15.666 113 H GLU 12 H GLU 12 -4.948 2.819 7.774 114 HA GLU 12 HA GLU 12 -6.927 0.873 6.995 115 1HB GLU 12 2HB GLU 12 -3.955 1.010 6.395 116 2HB GLU 12 1HB GLU 12 -5.026 -0.216 5.762 117 1HG GLU 12 2HG GLU 12 -4.593 1.395 4.049 118 2HG GLU 12 1HG GLU 12 -6.268 1.565 4.553 119 H GLN 13 H GLN 13 -7.411 0.074 9.108 120 HA GLN 13 HA GLN 13 -5.388 -1.052 10.788 121 1HB GLN 13 2HB GLN 13 -7.573 -0.086 11.584 122 2HB GLN 13 1HB GLN 13 -8.381 -1.487 10.906 123 1HG GLN 13 2HG GLN 13 -8.163 -1.798 13.257 124 2HG GLN 13 1HG GLN 13 -7.076 -2.920 12.448 125 1HE2 GLN 13 1HE2 GLN 13 -7.070 -1.805 15.162 126 2HE2 GLN 13 2HE2 GLN 13 -5.496 -1.148 15.386 127 H GLU 14 H GLU 14 -7.280 -2.117 8.261 128 HA GLU 14 HA GLU 14 -7.404 -4.902 8.581 129 1HB GLU 14 2HB GLU 14 -7.165 -3.354 5.996 130 2HB GLU 14 1HB GLU 14 -7.746 -5.001 6.163 131 1HG GLU 14 2HG GLU 14 -9.072 -2.548 7.297 132 2HG GLU 14 1HG GLU 14 -9.560 -3.395 5.833 133 H ILE 15 H ILE 15 -4.786 -2.831 7.543 134 HA ILE 15 HA ILE 15 -3.360 -4.969 6.242 135 HB ILE 15 HB ILE 15 -1.681 -3.328 5.584 136 1HG1 ILE 15 2HG1 ILE 15 -2.750 -1.269 7.451 137 2HG1 ILE 15 1HG1 ILE 15 -1.683 -2.498 8.121 138 1HG2 ILE 15 1HG2 ILE 15 -2.947 -1.498 4.741 139 2HG2 ILE 15 2HG2 ILE 15 -4.291 -1.907 5.805 140 3HG2 ILE 15 3HG2 ILE 15 -3.807 -3.025 4.527 141 1HD1 ILE 15 1HD1 ILE 15 -0.495 -0.520 7.513 142 2HD1 ILE 15 2HD1 ILE 15 -1.061 -0.688 5.830 143 3HD1 ILE 15 3HD1 ILE 15 0.006 -1.913 6.550 144 H LYS 16 H LYS 16 -3.360 -3.509 9.421 145 HA LYS 16 HA LYS 16 -0.741 -4.333 10.176 146 1HB LYS 16 2HB LYS 16 -3.076 -3.558 11.930 147 2HB LYS 16 1HB LYS 16 -1.487 -3.945 12.547 148 1HG LYS 16 2HG LYS 16 -1.604 -1.615 12.558 149 2HG LYS 16 1HG LYS 16 -0.644 -2.000 11.135 150 1HD LYS 16 2HD LYS 16 -2.504 -1.601 9.699 151 2HD LYS 16 1HD LYS 16 -3.596 -1.451 11.073 152 1HE LYS 16 2HE LYS 16 -3.083 0.742 10.259 153 2HE LYS 16 1HE LYS 16 -2.312 0.525 11.825 154 1HZ LYS 16 1HZ LYS 16 -0.794 1.576 10.467 155 2HZ LYS 16 2HZ LYS 16 -1.092 0.641 9.149 156 3HZ LYS 16 3HZ LYS 16 -0.193 -0.007 10.455 157 H LYS 17 H LYS 17 -3.676 -5.806 9.993 158 HA LYS 17 HA LYS 17 -2.811 -8.007 11.739 159 1HB LYS 17 2HB LYS 17 -5.171 -8.724 11.736 160 2HB LYS 17 1HB LYS 17 -4.950 -7.098 12.360 161 1HG LYS 17 2HG LYS 17 -5.703 -6.178 10.211 162 2HG LYS 17 1HG LYS 17 -5.933 -7.817 9.605 163 1HD LYS 17 2HD LYS 17 -8.053 -6.872 10.327 164 2HD LYS 17 1HD LYS 17 -7.597 -8.224 11.362 165 1HE LYS 17 2HE LYS 17 -6.767 -6.637 13.045 166 2HE LYS 17 1HE LYS 17 -7.239 -5.294 12.003 167 1HZ LYS 17 1HZ LYS 17 -8.899 -5.746 13.717 168 2HZ LYS 17 2HZ LYS 17 -9.095 -7.324 13.122 169 3HZ LYS 17 3HZ LYS 17 -9.526 -6.002 12.167 170 H LYS 18 H LYS 18 -2.411 -7.281 8.677 171 HA LYS 18 HA LYS 18 -3.012 -10.016 7.797 172 1HB LYS 18 2HB LYS 18 -4.272 -7.854 6.850 173 2HB LYS 18 1HB LYS 18 -2.898 -7.887 5.758 174 1HG LYS 18 2HG LYS 18 -3.443 -10.060 4.979 175 2HG LYS 18 1HG LYS 18 -4.651 -10.275 6.244 176 1HD LYS 18 2HD LYS 18 -4.769 -8.291 3.979 177 2HD LYS 18 1HD LYS 18 -5.714 -9.772 4.120 178 1HE LYS 18 2HE LYS 18 -5.841 -7.433 6.034 179 2HE LYS 18 1HE LYS 18 -6.992 -7.736 4.736 180 1HZ LYS 18 1HZ LYS 18 -7.775 -8.456 6.892 181 2HZ LYS 18 2HZ LYS 18 -6.515 -9.562 7.055 182 3HZ LYS 18 3HZ LYS 18 -7.678 -9.739 5.819 183 H PHE 19 H PHE 19 -0.837 -7.219 7.257 184 HA PHE 19 HA PHE 19 1.164 -9.120 6.280 185 1HB PHE 19 2HB PHE 19 0.807 -6.745 5.255 186 2HB PHE 19 1HB PHE 19 1.583 -6.126 6.703 187 HD1 PHE 19 1HD PHE 19 2.130 -6.888 3.418 188 HD2 PHE 19 2HD PHE 19 3.925 -7.460 7.220 189 HE1 PHE 19 1HE PHE 19 4.333 -7.086 2.356 190 HE2 PHE 19 2HE PHE 19 6.124 -7.654 6.157 191 HZ PHE 19 HZ PHE 19 6.349 -7.436 3.726 192 H LYS 20 H LYS 20 0.254 -7.109 8.915 193 HA LYS 20 HA LYS 20 0.802 -6.889 11.043 194 1HB LYS 20 2HB LYS 20 0.624 -9.319 11.222 195 2HB LYS 20 1HB LYS 20 2.280 -9.505 10.680 196 1HG LYS 20 2HG LYS 20 3.070 -8.422 12.721 197 2HG LYS 20 1HG LYS 20 1.398 -8.226 13.259 198 1HD LYS 20 2HD LYS 20 1.083 -10.610 13.296 199 2HD LYS 20 1HD LYS 20 2.686 -10.869 12.612 200 1HE LYS 20 2HE LYS 20 3.682 -9.870 14.619 201 2HE LYS 20 1HE LYS 20 2.066 -9.662 15.300 202 1HZ LYS 20 1HZ LYS 20 1.751 -12.005 15.321 203 2HZ LYS 20 2HZ LYS 20 3.260 -11.715 16.062 204 3HZ LYS 20 3HZ LYS 20 3.182 -12.274 14.475 205 H LEU 21 H LEU 21 1.782 -5.082 10.842 206 HA LEU 21 HA LEU 21 4.642 -5.028 10.235 207 1HB LEU 21 2HB LEU 21 2.824 -2.646 10.574 208 2HB LEU 21 1HB LEU 21 4.430 -2.705 9.920 209 HG LEU 21 HG LEU 21 3.073 -2.412 8.050 210 1HD1 LEU 21 1HD1 LEU 21 3.267 -4.433 6.741 211 2HD1 LEU 21 2HD1 LEU 21 3.597 -5.337 8.211 212 3HD1 LEU 21 3HD1 LEU 21 4.729 -4.088 7.675 213 1HD2 LEU 21 1HD2 LEU 21 1.090 -3.742 7.491 214 2HD2 LEU 21 2HD2 LEU 21 0.875 -2.896 9.021 215 3HD2 LEU 21 3HD2 LEU 21 1.245 -4.622 9.008 216 H THR 22 H THR 22 2.350 -4.421 12.732 217 HA THR 22 HA THR 22 2.383 -3.839 14.814 218 HB THR 22 HB THR 22 4.234 -4.658 16.278 219 HG1 THR 22 1HG THR 22 5.581 -4.717 13.876 220 1HG2 THR 22 1HG2 THR 22 2.446 -6.134 15.580 221 2HG2 THR 22 2HG2 THR 22 3.976 -7.029 15.683 222 3HG2 THR 22 3HG2 THR 22 3.337 -6.534 14.114 223 H GLY 23 H GLY 23 3.272 -1.826 12.892 224 1HA GLY 23 2HA GLY 23 3.453 0.331 14.502 225 2HA GLY 23 1HA GLY 23 5.127 -0.147 14.228 226 HA PRO 24 HA PRO 24 3.668 2.164 10.449 227 1HB PRO 24 2HB PRO 24 4.445 4.654 10.938 228 2HB PRO 24 1HB PRO 24 2.931 4.046 11.620 229 1HG PRO 24 2HG PRO 24 5.593 4.393 12.936 230 2HG PRO 24 1HG PRO 24 3.976 4.752 13.569 231 1HD PRO 24 2HD PRO 24 5.394 2.441 14.140 232 2HD PRO 24 1HD PRO 24 3.628 2.626 14.233 233 H ILE 25 H ILE 25 5.132 3.288 8.913 234 HA ILE 25 HA ILE 25 7.912 3.451 9.458 235 HB ILE 25 HB ILE 25 7.722 0.987 9.259 236 1HG1 ILE 25 2HG1 ILE 25 9.193 2.226 6.916 237 2HG1 ILE 25 1HG1 ILE 25 9.809 2.111 8.558 238 1HG2 ILE 25 1HG2 ILE 25 5.813 0.811 7.798 239 2HG2 ILE 25 2HG2 ILE 25 7.174 -0.075 7.110 240 3HG2 ILE 25 3HG2 ILE 25 6.732 1.503 6.460 241 1HD1 ILE 25 1HD1 ILE 25 9.796 -0.315 8.385 242 2HD1 ILE 25 2HD1 ILE 25 10.775 0.430 7.119 243 3HD1 ILE 25 3HD1 ILE 25 9.168 -0.192 6.741 244 H GLN 26 H GLN 26 9.124 4.245 7.672 245 HA GLN 26 HA GLN 26 7.592 6.018 5.979 246 1HB GLN 26 2HB GLN 26 9.701 7.019 5.451 247 2HB GLN 26 1HB GLN 26 9.697 6.693 7.180 248 1HG GLN 26 2HG GLN 26 11.036 4.668 6.788 249 2HG GLN 26 1HG GLN 26 11.021 5.032 5.060 250 1HE2 GLN 26 1HE2 GLN 26 12.313 5.896 8.148 251 2HE2 GLN 26 2HE2 GLN 26 13.587 6.901 7.528 252 H VAL 27 H VAL 27 8.645 6.222 3.666 253 HA VAL 27 HA VAL 27 8.221 3.762 2.293 254 HB VAL 27 HB VAL 27 9.203 6.462 1.371 255 1HG1 VAL 27 1HG1 VAL 27 8.749 5.707 -0.893 256 2HG1 VAL 27 2HG1 VAL 27 8.366 4.090 -0.273 257 3HG1 VAL 27 3HG1 VAL 27 10.004 4.728 -0.133 258 1HG2 VAL 27 1HG2 VAL 27 6.967 6.425 2.165 259 2HG2 VAL 27 2HG2 VAL 27 6.635 5.039 1.100 260 3HG2 VAL 27 3HG2 VAL 27 7.023 6.614 0.397 261 H ILE 28 H ILE 28 9.664 2.454 1.564 262 HA ILE 28 HA ILE 28 12.452 2.809 2.296 263 HB ILE 28 HB ILE 28 11.038 0.432 1.053 264 1HG1 ILE 28 2HG1 ILE 28 10.150 0.857 3.271 265 2HG1 ILE 28 1HG1 ILE 28 11.163 -0.577 3.311 266 1HG2 ILE 28 1HG2 ILE 28 13.779 0.622 2.280 267 2HG2 ILE 28 2HG2 ILE 28 13.411 0.413 0.569 268 3HG2 ILE 28 3HG2 ILE 28 13.007 -0.861 1.720 269 1HD1 ILE 28 1HD1 ILE 28 11.497 0.803 5.283 270 2HD1 ILE 28 2HD1 ILE 28 11.949 2.172 4.264 271 3HD1 ILE 28 3HD1 ILE 28 12.968 0.735 4.313 272 H HIS 29 H HIS 29 10.325 2.709 -0.491 273 HA HIS 29 HA HIS 29 12.199 3.786 -2.323 274 1HB HIS 29 2HB HIS 29 11.653 0.819 -2.580 275 2HB HIS 29 1HB HIS 29 12.073 1.796 -3.972 276 HD1 HIS 29 1HD HIS 29 13.500 -0.547 -1.824 277 HD2 HIS 29 2HD HIS 29 14.803 3.154 -3.194 278 HE1 HIS 29 1HE HIS 29 15.979 -0.533 -1.488 279 HE2 HIS 29 2HE HIS 29 16.674 1.795 -2.017 280 H LEU 30 H LEU 30 11.214 3.942 -4.473 281 HA LEU 30 HA LEU 30 8.321 3.796 -4.222 282 1HB LEU 30 2HB LEU 30 10.015 5.362 -6.197 283 2HB LEU 30 1HB LEU 30 8.269 5.250 -6.240 284 HG LEU 30 HG LEU 30 8.238 6.395 -3.993 285 1HD1 LEU 30 1HD1 LEU 30 11.125 6.938 -4.632 286 2HD1 LEU 30 2HD1 LEU 30 10.515 5.955 -3.303 287 3HD1 LEU 30 3HD1 LEU 30 10.183 7.687 -3.339 288 1HD2 LEU 30 1HD2 LEU 30 7.710 7.565 -6.044 289 2HD2 LEU 30 2HD2 LEU 30 9.422 7.880 -6.326 290 3HD2 LEU 30 3HD2 LEU 30 8.605 8.618 -4.947 291 H ALA 31 H ALA 31 7.424 2.271 -5.197 292 HA ALA 31 HA ALA 31 8.947 0.773 -7.190 293 1HB ALA 31 1HB ALA 31 8.014 -0.594 -5.350 294 2HB ALA 31 2HB ALA 31 7.417 -1.051 -6.938 295 3HB ALA 31 3HB ALA 31 6.381 -0.118 -5.863 296 H LYS 32 H LYS 32 7.962 0.075 -9.043 297 HA LYS 32 HA LYS 32 6.022 2.010 -10.020 298 1HB LYS 32 2HB LYS 32 8.218 2.041 -11.138 299 2HB LYS 32 1HB LYS 32 8.067 0.322 -11.456 300 1HG LYS 32 2HG LYS 32 6.221 0.719 -12.944 301 2HG LYS 32 1HG LYS 32 6.225 2.430 -12.538 302 1HD LYS 32 2HD LYS 32 8.478 0.964 -13.914 303 2HD LYS 32 1HD LYS 32 7.254 1.924 -14.733 304 1HE LYS 32 2HE LYS 32 9.042 3.393 -14.587 305 2HE LYS 32 1HE LYS 32 8.071 3.843 -13.195 306 1HZ LYS 32 1HZ LYS 32 10.497 2.130 -13.160 307 2HZ LYS 32 2HZ LYS 32 9.648 2.590 -11.757 308 3HZ LYS 32 3HZ LYS 32 10.416 3.733 -12.677 309 H ALA 33 H ALA 33 4.040 1.220 -10.455 310 HA ALA 33 HA ALA 33 3.440 -1.493 -10.066 311 1HB ALA 33 1HB ALA 33 1.879 0.663 -11.461 312 2HB ALA 33 2HB ALA 33 1.770 0.235 -9.744 313 3HB ALA 33 3HB ALA 33 1.265 -0.908 -10.983 314 H CYS 34 H CYS 34 4.183 -2.942 -11.371 315 HA CYS 34 HA CYS 34 4.793 -2.418 -14.142 316 1HB CYS 34 2HB CYS 34 6.233 -3.792 -12.635 317 2HB CYS 34 1HB CYS 34 4.940 -4.975 -12.525 318 HG CYS 34 HG CYS 34 7.357 -4.728 -14.599 319 H CYS 35 H CYS 35 2.213 -3.654 -12.263 320 HA CYS 35 HA CYS 35 0.825 -4.612 -14.655 321 1HB CYS 35 2HB CYS 35 0.762 -5.952 -11.947 322 2HB CYS 35 1HB CYS 35 -0.042 -6.495 -13.414 323 HG CYS 35 HG CYS 35 2.543 -6.900 -14.724 324 H ASP 36 H ASP 36 -1.284 -4.065 -14.693 325 HA ASP 36 HA ASP 36 -2.363 -2.408 -12.576 326 1HB ASP 36 2HB ASP 36 -3.246 -1.390 -14.310 327 2HB ASP 36 1HB ASP 36 -2.915 -2.721 -15.411 328 H VAL 37 H VAL 37 -3.055 -3.303 -10.995 329 HA VAL 37 HA VAL 37 -4.486 -5.841 -11.263 330 HB VAL 37 HB VAL 37 -2.266 -6.063 -10.149 331 1HG1 VAL 37 1HG1 VAL 37 -3.569 -4.460 -8.016 332 2HG1 VAL 37 2HG1 VAL 37 -2.217 -3.979 -9.042 333 3HG1 VAL 37 3HG1 VAL 37 -2.020 -5.300 -7.870 334 1HG2 VAL 37 1HG2 VAL 37 -3.000 -7.440 -8.276 335 2HG2 VAL 37 2HG2 VAL 37 -3.968 -7.731 -9.722 336 3HG2 VAL 37 3HG2 VAL 37 -4.617 -6.748 -8.404 337 H LYS 38 H LYS 38 -6.211 -6.219 -9.851 338 HA LYS 38 HA LYS 38 -7.648 -3.791 -9.124 339 1HB LYS 38 2HB LYS 38 -9.595 -5.272 -9.165 340 2HB LYS 38 1HB LYS 38 -8.659 -5.386 -10.655 341 1HG LYS 38 2HG LYS 38 -7.499 -7.387 -9.484 342 2HG LYS 38 1HG LYS 38 -8.918 -7.379 -8.440 343 1HD LYS 38 2HD LYS 38 -8.889 -7.561 -11.417 344 2HD LYS 38 1HD LYS 38 -9.142 -8.926 -10.329 345 1HE LYS 38 2HE LYS 38 -11.192 -7.863 -9.476 346 2HE LYS 38 1HE LYS 38 -10.938 -6.505 -10.579 347 1HZ LYS 38 1HZ LYS 38 -12.530 -8.108 -11.463 348 2HZ LYS 38 2HZ LYS 38 -11.348 -9.323 -11.412 349 3HZ LYS 38 3HZ LYS 38 -11.154 -7.993 -12.432 350 H GLY 39 H GLY 39 -5.594 -5.666 -7.490 351 1HA GLY 39 2HA GLY 39 -5.225 -5.882 -5.229 352 2HA GLY 39 1HA GLY 39 -6.696 -5.007 -4.916 353 H GLY 40 H GLY 40 -5.737 -8.151 -6.237 354 1HA GLY 40 2HA GLY 40 -8.054 -9.326 -4.865 355 2HA GLY 40 1HA GLY 40 -7.320 -9.980 -6.329 356 H LYS 41 H LYS 41 -7.763 -11.313 -3.764 357 HA LYS 41 HA LYS 41 -6.739 -12.700 -2.317 358 1HB LYS 41 2HB LYS 41 -5.677 -13.547 -4.424 359 2HB LYS 41 1HB LYS 41 -4.370 -12.400 -4.217 360 1HG LYS 41 2HG LYS 41 -3.625 -13.565 -2.233 361 2HG LYS 41 1HG LYS 41 -5.004 -14.662 -2.327 362 1HD LYS 41 2HD LYS 41 -4.201 -15.536 -4.440 363 2HD LYS 41 1HD LYS 41 -2.870 -14.376 -4.440 364 1HE LYS 41 2HE LYS 41 -3.298 -16.496 -2.341 365 2HE LYS 41 1HE LYS 41 -2.216 -16.662 -3.720 366 1HZ LYS 41 1HZ LYS 41 -1.927 -14.566 -1.587 367 2HZ LYS 41 2HZ LYS 41 -0.936 -14.779 -2.896 368 3HZ LYS 41 3HZ LYS 41 -1.041 -15.982 -1.716 369 H ASN 42 H ASN 42 -6.797 -9.936 -1.865 370 HA ASN 42 HA ASN 42 -6.131 -8.324 -0.462 371 1HB ASN 42 2HB ASN 42 -4.333 -10.492 0.639 372 2HB ASN 42 1HB ASN 42 -4.476 -8.892 1.350 373 1HD2 ASN 42 1HD2 ASN 42 -5.126 -11.686 2.163 374 2HD2 ASN 42 2HD2 ASN 42 -6.751 -11.624 2.762 375 H GLU 43 H GLU 43 -5.338 -7.091 -2.158 376 HA GLU 43 HA GLU 43 -2.455 -6.738 -2.051 377 1HB GLU 43 2HB GLU 43 -3.350 -8.318 -4.004 378 2HB GLU 43 1HB GLU 43 -3.826 -6.807 -4.711 379 1HG GLU 43 2HG GLU 43 -1.589 -6.002 -4.800 380 2HG GLU 43 1HG GLU 43 -1.005 -7.385 -3.874 381 H LEU 44 H LEU 44 -2.145 -4.686 -3.723 382 HA LEU 44 HA LEU 44 -4.080 -2.676 -2.836 383 1HB LEU 44 2HB LEU 44 -1.337 -2.698 -2.968 384 2HB LEU 44 1HB LEU 44 -1.745 -1.972 -4.502 385 HG LEU 44 HG LEU 44 -2.495 -0.896 -1.783 386 1HD1 LEU 44 1HD1 LEU 44 -0.217 -0.664 -2.287 387 2HD1 LEU 44 2HD1 LEU 44 -1.068 0.899 -2.350 388 3HD1 LEU 44 3HD1 LEU 44 -0.622 0.067 -3.859 389 1HD2 LEU 44 1HD2 LEU 44 -4.223 -0.316 -3.405 390 2HD2 LEU 44 2HD2 LEU 44 -2.966 0.347 -4.473 391 3HD2 LEU 44 3HD2 LEU 44 -3.269 1.082 -2.900 392 H SER 45 H SER 45 -5.029 -1.340 -4.472 393 HA SER 45 HA SER 45 -5.007 -2.625 -7.057 394 1HB SER 45 2HB SER 45 -6.968 -0.477 -6.209 395 2HB SER 45 1HB SER 45 -7.134 -1.667 -7.489 396 HG SER 45 HG SER 45 -6.692 -2.620 -4.934 397 H PHE 46 H PHE 46 -3.898 -1.740 -8.649 398 HA PHE 46 HA PHE 46 -3.471 1.091 -8.804 399 1HB PHE 46 2HB PHE 46 -0.942 0.704 -9.009 400 2HB PHE 46 1HB PHE 46 -1.636 0.691 -7.391 401 HD1 PHE 46 1HD PHE 46 -1.509 -1.243 -6.053 402 HD2 PHE 46 2HD PHE 46 -0.265 -1.397 -10.101 403 HE1 PHE 46 1HE PHE 46 -0.442 -3.406 -5.640 404 HE2 PHE 46 2HE PHE 46 0.812 -3.564 -9.699 405 HZ PHE 46 HZ PHE 46 0.721 -4.577 -7.462 406 H LYS 47 H LYS 47 -2.292 1.659 -10.762 407 HA LYS 47 HA LYS 47 -2.996 -0.163 -12.954 408 1HB LYS 47 2HB LYS 47 -2.703 2.834 -12.789 409 2HB LYS 47 1HB LYS 47 -2.889 1.962 -14.305 410 1HG LYS 47 2HG LYS 47 -4.816 1.808 -12.045 411 2HG LYS 47 1HG LYS 47 -5.000 2.957 -13.396 412 1HD LYS 47 2HD LYS 47 -5.045 1.050 -14.928 413 2HD LYS 47 1HD LYS 47 -4.846 -0.049 -13.566 414 1HE LYS 47 2HE LYS 47 -6.984 0.733 -12.653 415 2HE LYS 47 1HE LYS 47 -7.180 1.791 -14.055 416 1HZ LYS 47 1HZ LYS 47 -6.950 -1.162 -14.133 417 2HZ LYS 47 2HZ LYS 47 -7.101 -0.153 -15.473 418 3HZ LYS 47 3HZ LYS 47 -8.385 -0.285 -14.396 419 H GLN 48 H GLN 48 -1.488 -0.444 -14.560 420 HA GLN 48 HA GLN 48 1.252 -0.518 -13.948 421 1HB GLN 48 2HB GLN 48 0.129 -0.090 -16.738 422 2HB GLN 48 1HB GLN 48 1.694 -0.762 -16.312 423 1HG GLN 48 2HG GLN 48 0.617 -2.677 -15.317 424 2HG GLN 48 1HG GLN 48 -0.956 -2.019 -15.767 425 1HE2 GLN 48 1HE2 GLN 48 1.961 -3.470 -16.888 426 2HE2 GLN 48 2HE2 GLN 48 1.423 -3.815 -18.490 427 H GLY 49 H GLY 49 2.477 1.218 -13.453 428 1HA GLY 49 2HA GLY 49 3.570 3.279 -13.930 429 2HA GLY 49 1HA GLY 49 2.289 3.659 -15.073 430 H GLU 50 H GLU 50 1.434 2.539 -11.942 431 HA GLU 50 HA GLU 50 -0.034 4.900 -11.273 432 1HB GLU 50 2HB GLU 50 -0.649 2.573 -10.634 433 2HB GLU 50 1HB GLU 50 0.700 2.558 -9.529 434 1HG GLU 50 2HG GLU 50 -1.290 2.960 -8.272 435 2HG GLU 50 1HG GLU 50 -0.316 4.426 -8.280 436 H GLN 51 H GLN 51 2.925 3.491 -10.285 437 HA GLN 51 HA GLN 51 4.729 4.069 -9.066 438 1HB GLN 51 2HB GLN 51 4.595 6.366 -10.058 439 2HB GLN 51 1HB GLN 51 3.517 6.845 -8.757 440 1HG GLN 51 2HG GLN 51 5.304 6.448 -7.133 441 2HG GLN 51 1HG GLN 51 6.384 5.976 -8.443 442 1HE2 GLN 51 1HE2 GLN 51 4.804 8.621 -6.843 443 2HE2 GLN 51 2HE2 GLN 51 5.662 9.865 -7.672 444 H ILE 52 H ILE 52 4.877 3.060 -7.292 445 HA ILE 52 HA ILE 52 2.849 3.425 -5.197 446 HB ILE 52 HB ILE 52 4.404 0.901 -5.816 447 1HG1 ILE 52 2HG1 ILE 52 1.747 1.817 -6.970 448 2HG1 ILE 52 1HG1 ILE 52 3.227 1.397 -7.798 449 1HG2 ILE 52 1HG2 ILE 52 1.828 1.366 -4.297 450 2HG2 ILE 52 2HG2 ILE 52 3.400 1.012 -3.582 451 3HG2 ILE 52 3HG2 ILE 52 2.590 -0.199 -4.576 452 1HD1 ILE 52 1HD1 ILE 52 1.564 -0.328 -7.997 453 2HD1 ILE 52 2HD1 ILE 52 1.555 -0.516 -6.243 454 3HD1 ILE 52 3HD1 ILE 52 3.014 -0.884 -7.164 455 H GLU 53 H GLU 53 3.822 2.980 -3.013 456 HA GLU 53 HA GLU 53 6.737 3.348 -3.007 457 1HB GLU 53 2HB GLU 53 4.960 4.065 -0.687 458 2HB GLU 53 1HB GLU 53 6.591 4.565 -1.109 459 1HG GLU 53 2HG GLU 53 5.840 5.988 -2.849 460 2HG GLU 53 1HG GLU 53 4.180 5.435 -2.672 461 H ILE 54 H ILE 54 7.851 1.831 -1.874 462 HA ILE 54 HA ILE 54 6.285 -0.330 -0.694 463 HB ILE 54 HB ILE 54 8.025 -1.088 -2.283 464 1HG1 ILE 54 2HG1 ILE 54 9.357 -2.605 -0.821 465 2HG1 ILE 54 1HG1 ILE 54 8.698 -1.753 0.571 466 1HG2 ILE 54 1HG2 ILE 54 10.380 -0.819 -1.874 467 2HG2 ILE 54 2HG2 ILE 54 10.021 0.226 -0.499 468 3HG2 ILE 54 3HG2 ILE 54 9.572 0.727 -2.129 469 1HD1 ILE 54 1HD1 ILE 54 7.130 -3.270 -1.471 470 2HD1 ILE 54 2HD1 ILE 54 6.478 -2.413 -0.060 471 3HD1 ILE 54 3HD1 ILE 54 7.548 -3.799 0.161 472 H ILE 55 H ILE 55 6.125 -0.575 1.408 473 HA ILE 55 HA ILE 55 7.896 1.048 3.073 474 HB ILE 55 HB ILE 55 6.051 0.863 4.871 475 1HG1 ILE 55 2HG1 ILE 55 4.715 -0.753 3.341 476 2HG1 ILE 55 1HG1 ILE 55 3.791 0.429 4.239 477 1HG2 ILE 55 1HG2 ILE 55 4.962 2.908 4.085 478 2HG2 ILE 55 2HG2 ILE 55 5.696 2.666 2.497 479 3HG2 ILE 55 3HG2 ILE 55 6.719 2.951 3.906 480 1HD1 ILE 55 1HD1 ILE 55 2.989 0.244 1.969 481 2HD1 ILE 55 2HD1 ILE 55 4.614 0.567 1.350 482 3HD1 ILE 55 3HD1 ILE 55 3.734 1.829 2.199 483 H ARG 56 H ARG 56 6.318 -2.116 2.934 484 HA ARG 56 HA ARG 56 8.374 -2.969 4.860 485 1HB ARG 56 2HB ARG 56 5.988 -2.919 5.878 486 2HB ARG 56 1HB ARG 56 5.613 -4.141 4.699 487 1HG ARG 56 2HG ARG 56 6.069 -5.489 6.449 488 2HG ARG 56 1HG ARG 56 7.658 -5.375 5.727 489 1HD ARG 56 2HD ARG 56 6.724 -3.649 8.017 490 2HD ARG 56 1HD ARG 56 7.572 -5.165 8.211 491 HE ARG 56 HE ARG 56 8.993 -3.253 6.592 492 1HH1 ARG 56 1HH1 ARG 56 8.417 -4.427 9.918 493 2HH1 ARG 56 2HH1 ARG 56 9.870 -3.751 10.490 494 1HH2 ARG 56 1HH2 ARG 56 10.905 -2.411 7.410 495 2HH2 ARG 56 2HH2 ARG 56 11.288 -2.510 9.076 496 H ILE 57 H ILE 57 9.601 -4.528 4.086 497 HA ILE 57 HA ILE 57 8.580 -6.356 2.016 498 HB ILE 57 HB ILE 57 11.030 -6.605 1.300 499 1HG1 ILE 57 2HG1 ILE 57 11.984 -5.316 3.256 500 2HG1 ILE 57 1HG1 ILE 57 12.616 -4.860 1.677 501 1HG2 ILE 57 1HG2 ILE 57 10.993 -4.736 -0.248 502 2HG2 ILE 57 2HG2 ILE 57 9.644 -4.042 0.652 503 3HG2 ILE 57 3HG2 ILE 57 9.458 -5.599 -0.158 504 1HD1 ILE 57 1HD1 ILE 57 10.515 -3.409 3.248 505 2HD1 ILE 57 2HD1 ILE 57 11.071 -2.942 1.660 506 3HD1 ILE 57 3HD1 ILE 57 12.190 -2.873 3.048 507 H THR 58 H THR 58 9.589 -6.042 5.130 508 HA THR 58 HA THR 58 10.886 -8.621 5.195 509 HB THR 58 HB THR 58 11.739 -7.621 7.415 510 HG1 THR 58 1HG THR 58 11.799 -5.283 7.275 511 1HG2 THR 58 1HG2 THR 58 13.096 -8.001 5.416 512 2HG2 THR 58 2HG2 THR 58 13.552 -6.491 6.220 513 3HG2 THR 58 3HG2 THR 58 12.557 -6.456 4.757 514 H ASP 59 H ASP 59 10.372 -9.991 6.887 515 HA ASP 59 HA ASP 59 8.947 -11.265 8.074 516 1HB ASP 59 2HB ASP 59 9.455 -9.523 9.814 517 2HB ASP 59 1HB ASP 59 8.026 -8.635 9.299 518 H ASN 60 H ASN 60 8.153 -11.302 5.820 519 HA ASN 60 HA ASN 60 5.395 -10.408 5.585 520 1HB ASN 60 2HB ASN 60 5.749 -10.670 3.115 521 2HB ASN 60 1HB ASN 60 6.736 -9.442 3.877 522 1HD2 ASN 60 1HD2 ASN 60 7.205 -10.592 1.385 523 2HD2 ASN 60 2HD2 ASN 60 8.726 -11.421 1.431 524 HA PRO 61 HA PRO 61 4.456 -14.692 6.430 525 1HB PRO 61 2HB PRO 61 1.675 -13.797 6.186 526 2HB PRO 61 1HB PRO 61 2.520 -14.483 7.577 527 1HG PRO 61 2HG PRO 61 1.810 -11.889 7.474 528 2HG PRO 61 1HG PRO 61 3.292 -12.433 8.282 529 1HD PRO 61 2HD PRO 61 2.946 -11.181 5.588 530 2HD PRO 61 1HD PRO 61 4.192 -10.881 6.821 531 H GLU 62 H GLU 62 3.237 -12.932 3.637 532 HA GLU 62 HA GLU 62 2.439 -15.517 2.495 533 1HB GLU 62 2HB GLU 62 0.640 -13.784 2.765 534 2HB GLU 62 1HB GLU 62 1.523 -12.757 1.649 535 1HG GLU 62 2HG GLU 62 1.109 -14.216 -0.160 536 2HG GLU 62 1HG GLU 62 0.542 -15.498 0.908 537 H GLY 63 H GLY 63 4.909 -13.494 2.576 538 1HA GLY 63 2HA GLY 63 6.827 -13.390 1.287 539 2HA GLY 63 1HA GLY 63 6.076 -14.516 0.166 540 H LYS 64 H LYS 64 4.234 -11.769 0.926 541 HA LYS 64 HA LYS 64 4.907 -10.590 -1.633 542 1HB LYS 64 2HB LYS 64 2.644 -9.914 -1.778 543 2HB LYS 64 1HB LYS 64 2.599 -11.574 -1.219 544 1HG LYS 64 2HG LYS 64 2.376 -10.547 1.133 545 2HG LYS 64 1HG LYS 64 1.969 -9.060 0.274 546 1HD LYS 64 2HD LYS 64 0.525 -11.701 0.225 547 2HD LYS 64 1HD LYS 64 -0.085 -10.136 0.749 548 1HE LYS 64 2HE LYS 64 -0.008 -9.325 -1.558 549 2HE LYS 64 1HE LYS 64 0.661 -10.875 -2.078 550 1HZ LYS 64 1HZ LYS 64 -1.651 -10.916 -2.522 551 2HZ LYS 64 2HZ LYS 64 -2.034 -10.313 -1.024 552 3HZ LYS 64 3HZ LYS 64 -1.411 -11.902 -1.154 553 H TRP 65 H TRP 65 4.593 -8.144 -1.555 554 HA TRP 65 HA TRP 65 6.041 -7.168 0.811 555 1HB TRP 65 2HB TRP 65 5.767 -6.122 -1.994 556 2HB TRP 65 1HB TRP 65 6.492 -5.165 -0.719 557 HD1 TRP 65 HD TRP 65 7.990 -8.001 0.418 558 HE1 TRP 65 1HE TRP 65 10.165 -8.671 -0.786 559 HE3 TRP 65 3HE TRP 65 7.407 -5.315 -3.925 560 HZ2 TRP 65 2HZ TRP 65 11.456 -8.136 -3.228 561 HZ3 TRP 65 3HZ TRP 65 9.165 -5.458 -5.625 562 HH2 TRP 65 HH TRP 65 11.146 -6.837 -5.285 563 H LEU 66 H LEU 66 5.521 -4.710 1.212 564 HA LEU 66 HA LEU 66 2.594 -4.378 1.103 565 1HB LEU 66 2HB LEU 66 3.416 -4.658 3.410 566 2HB LEU 66 1HB LEU 66 4.538 -3.334 3.169 567 HG LEU 66 HG LEU 66 2.642 -1.778 2.908 568 1HD1 LEU 66 1HD1 LEU 66 0.967 -3.321 2.097 569 2HD1 LEU 66 2HD1 LEU 66 0.411 -2.471 3.541 570 3HD1 LEU 66 3HD1 LEU 66 0.952 -4.147 3.661 571 1HD2 LEU 66 1HD2 LEU 66 1.974 -1.753 5.247 572 2HD2 LEU 66 2HD2 LEU 66 3.702 -2.068 5.074 573 3HD2 LEU 66 3HD2 LEU 66 2.594 -3.389 5.449 574 H GLY 67 H GLY 67 2.084 -2.925 -0.388 575 1HA GLY 67 2HA GLY 67 3.945 -0.702 -0.745 576 2HA GLY 67 1HA GLY 67 2.961 -1.384 -2.042 577 H ARG 68 H ARG 68 3.044 1.308 -1.189 578 HA ARG 68 HA ARG 68 0.196 1.663 -0.575 579 1HB ARG 68 2HB ARG 68 1.321 2.095 1.464 580 2HB ARG 68 1HB ARG 68 2.508 3.173 0.716 581 1HG ARG 68 2HG ARG 68 0.464 4.638 0.189 582 2HG ARG 68 1HG ARG 68 -0.432 3.625 1.315 583 1HD ARG 68 2HD ARG 68 0.356 5.567 2.470 584 2HD ARG 68 1HD ARG 68 1.237 4.161 3.058 585 HE ARG 68 HE ARG 68 2.562 5.642 0.945 586 1HH1 ARG 68 1HH1 ARG 68 2.294 5.146 4.467 587 2HH1 ARG 68 2HH1 ARG 68 3.698 6.038 4.820 588 1HH2 ARG 68 1HH2 ARG 68 4.412 6.760 1.411 589 2HH2 ARG 68 2HH2 ARG 68 4.996 6.998 3.013 590 H THR 69 H THR 69 -0.676 3.363 -1.480 591 HA THR 69 HA THR 69 0.847 4.642 -3.672 592 HB THR 69 HB THR 69 -2.167 4.798 -3.302 593 HG1 THR 69 1HG THR 69 -0.600 2.623 -3.828 594 1HG2 THR 69 1HG2 THR 69 -1.086 6.176 -5.044 595 2HG2 THR 69 2HG2 THR 69 -2.130 4.941 -5.748 596 3HG2 THR 69 3HG2 THR 69 -0.381 4.720 -5.741 597 H ALA 70 H ALA 70 0.501 7.088 -3.828 598 HA ALA 70 HA ALA 70 1.125 8.365 -1.465 599 1HB ALA 70 1HB ALA 70 -0.191 9.635 -3.861 600 2HB ALA 70 2HB ALA 70 1.533 9.296 -3.699 601 3HB ALA 70 3HB ALA 70 0.759 10.463 -2.624 602 H ARG 71 H ARG 71 -2.036 7.839 -2.791 603 HA ARG 71 HA ARG 71 -3.583 9.512 -1.143 604 1HB ARG 71 2HB ARG 71 -4.243 8.275 -3.281 605 2HB ARG 71 1HB ARG 71 -4.430 6.841 -2.298 606 1HG ARG 71 2HG ARG 71 -5.973 9.367 -1.775 607 2HG ARG 71 1HG ARG 71 -6.516 8.155 -2.922 608 1HD ARG 71 2HD ARG 71 -6.766 6.526 -1.179 609 2HD ARG 71 1HD ARG 71 -5.958 7.580 -0.011 610 HE ARG 71 HE ARG 71 -7.949 9.096 -0.849 611 1HH1 ARG 71 1HH1 ARG 71 -7.965 5.798 0.488 612 2HH1 ARG 71 2HH1 ARG 71 -9.528 5.918 1.148 613 1HH2 ARG 71 1HH2 ARG 71 -10.096 9.241 -0.037 614 2HH2 ARG 71 2HH2 ARG 71 -10.821 7.973 0.820 615 H GLY 72 H GLY 72 -2.036 6.501 -0.515 616 1HA GLY 72 2HA GLY 72 -1.662 5.519 1.531 617 2HA GLY 72 1HA GLY 72 -2.919 6.474 2.271 618 H SER 73 H SER 73 -2.095 3.542 0.661 619 HA SER 73 HA SER 73 -4.502 2.307 1.183 620 1HB SER 73 2HB SER 73 -3.404 2.403 -1.616 621 2HB SER 73 1HB SER 73 -4.890 1.640 -1.098 622 HG SER 73 HG SER 73 -5.715 3.760 -0.615 623 H TYR 74 H TYR 74 -3.640 0.540 1.756 624 HA TYR 74 HA TYR 74 -0.821 -0.009 1.104 625 1HB TYR 74 2HB TYR 74 -2.406 -0.379 3.480 626 2HB TYR 74 1HB TYR 74 -0.940 -1.345 3.314 627 HD1 TYR 74 1HD TYR 74 1.230 -0.225 3.571 628 HD2 TYR 74 2HD TYR 74 -2.368 1.984 3.997 629 HE1 TYR 74 1HE TYR 74 2.487 1.589 4.624 630 HE2 TYR 74 2HE TYR 74 -1.115 3.820 5.053 631 HH TYR 74 HH TYR 74 0.943 4.192 6.214 632 H GLY 75 H GLY 75 -1.190 -1.346 -0.494 633 1HA GLY 75 2HA GLY 75 -2.754 -3.664 0.203 634 2HA GLY 75 1HA GLY 75 -2.463 -3.079 -1.440 635 H TYR 76 H TYR 76 -1.393 -4.716 1.104 636 HA TYR 76 HA TYR 76 1.227 -5.394 0.565 637 1HB TYR 76 2HB TYR 76 -0.022 -7.889 1.131 638 2HB TYR 76 1HB TYR 76 0.784 -6.821 2.281 639 HD1 TYR 76 1HD TYR 76 -2.429 -7.857 0.901 640 HD2 TYR 76 2HD TYR 76 -0.503 -5.332 3.715 641 HE1 TYR 76 1HE TYR 76 -4.591 -7.338 1.913 642 HE2 TYR 76 2HE TYR 76 -2.658 -4.821 4.735 643 HH TYR 76 HH TYR 76 -5.095 -4.782 3.847 644 H ILE 77 H ILE 77 1.856 -5.423 -1.402 645 HA ILE 77 HA ILE 77 0.497 -6.395 -3.648 646 HB ILE 77 HB ILE 77 2.840 -6.102 -4.550 647 1HG1 ILE 77 2HG1 ILE 77 3.011 -4.532 -1.980 648 2HG1 ILE 77 1HG1 ILE 77 4.046 -5.841 -2.519 649 1HG2 ILE 77 1HG2 ILE 77 2.315 -3.668 -4.870 650 2HG2 ILE 77 2HG2 ILE 77 1.083 -3.824 -3.602 651 3HG2 ILE 77 3HG2 ILE 77 0.918 -4.722 -5.125 652 1HD1 ILE 77 1HD1 ILE 77 4.904 -4.423 -4.291 653 2HD1 ILE 77 2HD1 ILE 77 5.153 -3.708 -2.693 654 3HD1 ILE 77 3HD1 ILE 77 3.860 -3.110 -3.745 655 H LYS 78 H LYS 78 0.864 -8.112 -4.763 656 HA LYS 78 HA LYS 78 2.763 -9.989 -3.768 657 1HB LYS 78 2HB LYS 78 2.106 -11.363 -5.685 658 2HB LYS 78 1HB LYS 78 0.643 -10.752 -4.924 659 1HG LYS 78 2HG LYS 78 0.500 -9.024 -6.601 660 2HG LYS 78 1HG LYS 78 2.039 -9.659 -7.237 661 1HD LYS 78 2HD LYS 78 0.940 -11.755 -7.832 662 2HD LYS 78 1HD LYS 78 -0.565 -11.212 -7.077 663 1HE LYS 78 2HE LYS 78 0.760 -9.910 -9.455 664 2HE LYS 78 1HE LYS 78 -0.597 -11.027 -9.541 665 1HZ LYS 78 1HZ LYS 78 -1.226 -8.659 -9.654 666 2HZ LYS 78 2HZ LYS 78 -0.736 -8.437 -8.032 667 3HZ LYS 78 3HZ LYS 78 -1.967 -9.488 -8.397 668 H THR 79 H THR 79 4.463 -9.505 -4.056 669 HA THR 79 HA THR 79 6.160 -7.676 -4.979 670 HB THR 79 HB THR 79 7.996 -9.308 -5.095 671 HG1 THR 79 1HG THR 79 7.484 -11.238 -5.772 672 1HG2 THR 79 1HG2 THR 79 7.126 -8.638 -2.902 673 2HG2 THR 79 2HG2 THR 79 7.676 -10.315 -2.888 674 3HG2 THR 79 3HG2 THR 79 5.951 -9.951 -2.973 675 H THR 80 H THR 80 5.008 -10.265 -7.040 676 HA THR 80 HA THR 80 6.598 -9.686 -9.290 677 HB THR 80 HB THR 80 5.660 -11.893 -8.881 678 HG1 THR 80 1HG THR 80 6.025 -11.193 -11.062 679 1HG2 THR 80 1HG2 THR 80 3.592 -11.242 -7.818 680 2HG2 THR 80 2HG2 THR 80 3.235 -12.324 -9.159 681 3HG2 THR 80 3HG2 THR 80 2.978 -10.581 -9.321 682 H ALA 81 H ALA 81 3.813 -7.989 -8.058 683 HA ALA 81 HA ALA 81 2.913 -7.195 -10.692 684 1HB ALA 81 1HB ALA 81 1.136 -6.036 -9.507 685 2HB ALA 81 2HB ALA 81 1.917 -6.402 -7.965 686 3HB ALA 81 3HB ALA 81 1.271 -7.710 -8.959 687 H VAL 82 H VAL 82 5.181 -6.157 -8.416 688 HA VAL 82 HA VAL 82 5.254 -3.532 -9.737 689 HB VAL 82 HB VAL 82 6.152 -2.504 -7.705 690 1HG1 VAL 82 1HG1 VAL 82 3.420 -3.721 -7.307 691 2HG1 VAL 82 2HG1 VAL 82 3.815 -2.221 -8.153 692 3HG1 VAL 82 3HG1 VAL 82 4.083 -2.343 -6.430 693 1HG2 VAL 82 1HG2 VAL 82 5.432 -5.105 -6.363 694 2HG2 VAL 82 2HG2 VAL 82 5.926 -3.632 -5.530 695 3HG2 VAL 82 3HG2 VAL 82 7.057 -4.462 -6.604 696 H GLU 83 H GLU 83 7.291 -2.533 -9.642 697 HA GLU 83 HA GLU 83 9.566 -4.289 -9.129 698 1HB GLU 83 2HB GLU 83 9.139 -2.402 -11.433 699 2HB GLU 83 1HB GLU 83 10.675 -3.203 -11.101 700 1HG GLU 83 2HG GLU 83 9.530 -5.390 -11.433 701 2HG GLU 83 1HG GLU 83 8.079 -4.511 -11.907 702 H ILE 84 H ILE 84 10.735 -3.283 -7.543 703 HA ILE 84 HA ILE 84 10.001 -0.562 -6.959 704 HB ILE 84 HB ILE 84 11.310 -0.691 -4.932 705 1HG1 ILE 84 2HG1 ILE 84 12.347 -3.181 -4.541 706 2HG1 ILE 84 1HG1 ILE 84 12.575 -2.952 -6.282 707 1HG2 ILE 84 1HG2 ILE 84 9.146 -1.696 -4.806 708 2HG2 ILE 84 2HG2 ILE 84 10.277 -2.585 -3.783 709 3HG2 ILE 84 3HG2 ILE 84 9.793 -3.246 -5.349 710 1HD1 ILE 84 1HD1 ILE 84 14.546 -2.281 -5.006 711 2HD1 ILE 84 2HD1 ILE 84 13.561 -1.069 -4.173 712 3HD1 ILE 84 3HD1 ILE 84 13.823 -0.947 -5.912 713 H ASP 85 H ASP 85 11.107 1.235 -7.293 714 HA ASP 85 HA ASP 85 13.179 1.032 -9.217 715 1HB ASP 85 2HB ASP 85 11.771 3.373 -7.972 716 2HB ASP 85 1HB ASP 85 13.273 3.629 -8.857 717 H TYR 86 H TYR 86 15.179 1.077 -9.033 718 HA TYR 86 HA TYR 86 16.216 0.636 -6.379 719 1HB TYR 86 2HB TYR 86 17.554 0.297 -9.061 720 2HB TYR 86 1HB TYR 86 18.193 -0.225 -7.509 721 HD1 TYR 86 1HD TYR 86 16.076 -1.049 -10.283 722 HD2 TYR 86 2HD TYR 86 16.963 -2.031 -6.252 723 HE1 TYR 86 1HE TYR 86 14.929 -3.200 -10.562 724 HE2 TYR 86 2HE TYR 86 15.815 -4.187 -6.519 725 HH TYR 86 HH TYR 86 14.853 -5.339 -9.607 726 H ASP 87 H ASP 87 17.836 1.677 -5.483 727 HA ASP 87 HA ASP 87 18.628 4.270 -6.627 728 1HB ASP 87 2HB ASP 87 17.579 4.274 -4.353 729 2HB ASP 87 1HB ASP 87 18.863 3.220 -3.781 730 H SER 88 H SER 88 19.456 1.287 -6.741 731 HA SER 88 HA SER 88 22.346 1.728 -6.747 732 1HB SER 88 2HB SER 88 21.555 0.146 -4.945 733 2HB SER 88 1HB SER 88 20.848 -0.868 -6.199 734 HG SER 88 HG SER 88 22.760 -1.766 -5.876 735 H LEU 89 H LEU 89 23.272 -0.121 -8.334 736 HA LEU 89 HA LEU 89 23.556 -0.833 -10.463 737 1HB LEU 89 2HB LEU 89 20.528 -0.995 -10.435 738 2HB LEU 89 1HB LEU 89 21.480 -1.478 -11.813 739 HG LEU 89 HG LEU 89 22.557 -3.224 -10.327 740 1HD1 LEU 89 1HD1 LEU 89 20.301 -2.505 -8.467 741 2HD1 LEU 89 2HD1 LEU 89 22.021 -2.280 -8.153 742 3HD1 LEU 89 3HD1 LEU 89 21.363 -3.908 -8.319 743 1HD2 LEU 89 1HD2 LEU 89 20.854 -3.777 -11.952 744 2HD2 LEU 89 2HD2 LEU 89 19.587 -3.371 -10.793 745 3HD2 LEU 89 3HD2 LEU 89 20.649 -4.746 -10.495 746 H LYS 90 H LYS 90 23.398 1.974 -9.897 747 HA LYS 90 HA LYS 90 21.952 3.124 -12.119 748 1HB LYS 90 2HB LYS 90 23.694 4.494 -10.063 749 2HB LYS 90 1HB LYS 90 22.621 5.289 -11.207 750 1HG LYS 90 2HG LYS 90 20.705 4.111 -10.130 751 2HG LYS 90 1HG LYS 90 21.828 3.507 -8.915 752 1HD LYS 90 2HD LYS 90 20.715 5.451 -8.040 753 2HD LYS 90 1HD LYS 90 22.399 5.871 -8.364 754 1HE LYS 90 2HE LYS 90 21.752 6.909 -10.468 755 2HE LYS 90 1HE LYS 90 20.072 6.455 -10.191 756 1HZ LYS 90 1HZ LYS 90 20.384 8.709 -9.609 757 2HZ LYS 90 2HZ LYS 90 21.696 8.377 -8.630 758 3HZ LYS 90 3HZ LYS 90 20.135 7.858 -8.161 759 H LEU 91 H LEU 91 22.876 2.695 -13.949 760 HA LEU 91 HA LEU 91 25.619 3.632 -14.426 761 1HB LEU 91 2HB LEU 91 25.274 1.038 -14.077 762 2HB LEU 91 1HB LEU 91 24.549 1.098 -15.663 763 HG LEU 91 HG LEU 91 26.831 0.320 -15.796 764 1HD1 LEU 91 1HD1 LEU 91 27.794 1.863 -17.413 765 2HD1 LEU 91 2HD1 LEU 91 26.629 3.096 -16.934 766 3HD1 LEU 91 3HD1 LEU 91 26.073 1.609 -17.696 767 1HD2 LEU 91 1HD2 LEU 91 27.689 1.318 -13.785 768 2HD2 LEU 91 2HD2 LEU 91 27.580 2.924 -14.506 769 3HD2 LEU 91 3HD2 LEU 91 28.709 1.737 -15.158 770 H LYS 92 H LYS 92 25.211 5.259 -15.895 771 HA LYS 92 HA LYS 92 23.175 4.695 -17.918 772 1HB LYS 92 2HB LYS 92 22.249 6.188 -16.193 773 2HB LYS 92 1HB LYS 92 23.543 7.335 -16.508 774 1HG LYS 92 2HG LYS 92 22.724 7.581 -18.817 775 2HG LYS 92 1HG LYS 92 21.395 6.484 -18.442 776 1HD LYS 92 2HD LYS 92 21.953 9.141 -17.127 777 2HD LYS 92 1HD LYS 92 20.668 8.799 -18.287 778 1HE LYS 92 2HE LYS 92 19.686 7.199 -16.712 779 2HE LYS 92 1HE LYS 92 20.973 7.546 -15.559 780 1HZ LYS 92 1HZ LYS 92 19.000 8.778 -15.008 781 2HZ LYS 92 2HZ LYS 92 18.943 9.442 -16.565 782 3HZ LYS 92 3HZ LYS 92 20.189 9.878 -15.532 783 H LYS 93 H LYS 93 24.598 4.239 -19.439 784 HA LYS 93 HA LYS 93 25.970 4.495 -21.160 785 1HB LYS 93 2HB LYS 93 24.352 6.307 -21.727 786 2HB LYS 93 1HB LYS 93 25.424 7.458 -20.950 787 1HG LYS 93 2HG LYS 93 25.874 7.679 -23.246 788 2HG LYS 93 1HG LYS 93 27.201 6.699 -22.631 789 1HD LYS 93 2HD LYS 93 24.744 5.601 -24.041 790 2HD LYS 93 1HD LYS 93 26.288 5.909 -24.824 791 1HE LYS 93 2HE LYS 93 27.346 4.220 -23.412 792 2HE LYS 93 1HE LYS 93 25.830 3.965 -22.552 793 1HZ LYS 93 1HZ LYS 93 26.389 3.333 -25.409 794 2HZ LYS 93 2HZ LYS 93 24.857 3.285 -24.709 795 3HZ LYS 93 3HZ LYS 93 26.037 2.240 -24.157 796 H ASP 94 H ASP 94 27.820 3.835 -20.413 797 HA ASP 94 HA ASP 94 29.632 5.741 -19.158 798 1HB ASP 94 2HB ASP 94 31.087 3.859 -18.684 799 2HB ASP 94 1HB ASP 94 29.452 3.453 -18.190 800 H LEU 95 H LEU 95 31.972 5.560 -19.981 801 HA LEU 95 HA LEU 95 32.228 5.119 -22.814 802 1HB LEU 95 2HB LEU 95 31.269 7.378 -22.713 803 2HB LEU 95 1HB LEU 95 32.543 7.874 -21.618 804 HG LEU 95 HG LEU 95 34.191 7.414 -23.422 805 1HD1 LEU 95 1HD1 LEU 95 33.395 7.211 -25.719 806 2HD1 LEU 95 2HD1 LEU 95 31.737 7.079 -25.129 807 3HD1 LEU 95 3HD1 LEU 95 32.917 5.832 -24.728 808 1HD2 LEU 95 1HD2 LEU 95 33.671 9.440 -24.702 809 2HD2 LEU 95 2HD2 LEU 95 33.412 9.670 -22.973 810 3HD2 LEU 95 3HD2 LEU 95 32.034 9.422 -24.045 811 H GLU 96 H GLU 96 34.010 3.934 -22.704 812 HA GLU 96 HA GLU 96 36.186 4.817 -20.944 813 1HB GLU 96 2HB GLU 96 35.794 2.154 -22.312 814 2HB GLU 96 1HB GLU 96 37.059 2.558 -21.162 815 1HG GLU 96 2HG GLU 96 35.401 2.837 -19.414 816 2HG GLU 96 1HG GLU 96 34.114 2.479 -20.565 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 -23.555 24.766 15.239 2 2H GLU 1 2HT GLU 1 -21.933 24.746 15.656 3 3H GLU 1 3HT GLU 1 -22.634 26.191 15.117 4 HA GLU 1 HA GLU 1 -22.205 26.184 17.464 5 1HB GLU 1 2HB GLU 1 -24.127 27.487 16.641 6 2HB GLU 1 1HB GLU 1 -25.156 26.073 16.796 7 1HG GLU 1 2HG GLU 1 -24.772 26.085 19.222 8 2HG GLU 1 1HG GLU 1 -23.800 27.541 19.042 9 H LYS 2 H LYS 2 -25.037 24.046 17.004 10 HA LYS 2 HA LYS 2 -24.111 22.565 19.329 11 1HB LYS 2 2HB LYS 2 -26.776 22.497 17.911 12 2HB LYS 2 1HB LYS 2 -26.369 21.631 19.384 13 1HG LYS 2 2HG LYS 2 -26.045 23.764 20.539 14 2HG LYS 2 1HG LYS 2 -26.488 24.619 19.060 15 1HD LYS 2 2HD LYS 2 -28.683 23.504 19.106 16 2HD LYS 2 1HD LYS 2 -28.233 22.716 20.618 17 1HE LYS 2 2HE LYS 2 -28.463 25.688 20.164 18 2HE LYS 2 1HE LYS 2 -29.630 24.679 21.009 19 1HZ LYS 2 1HZ LYS 2 -26.836 25.259 21.872 20 2HZ LYS 2 2HZ LYS 2 -27.850 24.172 22.651 21 3HZ LYS 2 3HZ LYS 2 -28.259 25.801 22.594 22 H LYS 3 H LYS 3 -22.564 21.272 18.492 23 HA LYS 3 HA LYS 3 -23.584 19.157 16.792 24 1HB LYS 3 2HB LYS 3 -20.985 20.626 16.392 25 2HB LYS 3 1HB LYS 3 -21.249 19.005 15.766 26 1HG LYS 3 2HG LYS 3 -22.863 21.449 15.074 27 2HG LYS 3 1HG LYS 3 -21.644 20.676 14.051 28 1HD LYS 3 2HD LYS 3 -22.976 18.635 13.975 29 2HD LYS 3 1HD LYS 3 -24.172 19.361 15.051 30 1HE LYS 3 2HE LYS 3 -24.565 21.106 13.348 31 2HE LYS 3 1HE LYS 3 -23.454 20.262 12.271 32 1HZ LYS 3 1HZ LYS 3 -24.930 18.366 12.241 33 2HZ LYS 3 2HZ LYS 3 -25.803 19.745 11.852 34 3HZ LYS 3 3HZ LYS 3 -25.921 19.083 13.409 35 H GLU 4 H GLU 4 -23.765 17.656 18.167 36 HA GLU 4 HA GLU 4 -21.683 17.097 20.138 37 1HB GLU 4 2HB GLU 4 -24.406 15.867 19.667 38 2HB GLU 4 1HB GLU 4 -23.303 15.372 20.939 39 1HG GLU 4 2HG GLU 4 -24.542 18.103 20.647 40 2HG GLU 4 1HG GLU 4 -25.057 16.846 21.771 41 H GLN 5 H GLN 5 -21.563 16.641 17.133 42 HA GLN 5 HA GLN 5 -21.474 13.781 16.873 43 1HB GLN 5 2HB GLN 5 -22.224 15.199 14.996 44 2HB GLN 5 1HB GLN 5 -20.626 15.924 14.916 45 1HG GLN 5 2HG GLN 5 -20.937 14.254 13.171 46 2HG GLN 5 1HG GLN 5 -19.662 13.778 14.289 47 1HE2 GLN 5 1HE2 GLN 5 -19.956 11.952 15.594 48 2HE2 GLN 5 2HE2 GLN 5 -21.240 10.862 15.388 49 H LYS 6 H LYS 6 -19.937 12.843 17.957 50 HA LYS 6 HA LYS 6 -17.162 13.641 17.466 51 1HB LYS 6 2HB LYS 6 -18.439 12.424 19.938 52 2HB LYS 6 1HB LYS 6 -16.702 12.580 19.706 53 1HG LYS 6 2HG LYS 6 -16.903 14.991 19.622 54 2HG LYS 6 1HG LYS 6 -18.655 14.865 19.790 55 1HD LYS 6 2HD LYS 6 -18.367 13.843 21.993 56 2HD LYS 6 1HD LYS 6 -16.612 13.964 21.816 57 1HE LYS 6 2HE LYS 6 -17.529 15.788 23.190 58 2HE LYS 6 1HE LYS 6 -16.755 16.383 21.722 59 1HZ LYS 6 1HZ LYS 6 -18.914 17.472 22.175 60 2HZ LYS 6 2HZ LYS 6 -19.684 15.990 22.054 61 3HZ LYS 6 3HZ LYS 6 -18.902 16.653 20.705 62 H GLU 7 H GLU 7 -16.403 11.103 18.843 63 HA GLU 7 HA GLU 7 -15.845 9.018 18.353 64 1HB GLU 7 2HB GLU 7 -18.559 8.846 17.040 65 2HB GLU 7 1HB GLU 7 -17.536 7.480 17.455 66 1HG GLU 7 2HG GLU 7 -17.717 8.090 19.820 67 2HG GLU 7 1HG GLU 7 -18.782 9.426 19.375 68 H LYS 8 H LYS 8 -14.371 10.203 17.003 69 HA LYS 8 HA LYS 8 -14.754 9.596 14.204 70 1HB LYS 8 2HB LYS 8 -12.633 11.093 13.946 71 2HB LYS 8 1HB LYS 8 -14.178 11.852 14.255 72 1HG LYS 8 2HG LYS 8 -12.622 12.992 15.601 73 2HG LYS 8 1HG LYS 8 -13.503 11.937 16.695 74 1HD LYS 8 2HD LYS 8 -11.607 10.311 16.504 75 2HD LYS 8 1HD LYS 8 -10.729 11.543 15.591 76 1HE LYS 8 2HE LYS 8 -11.762 11.808 18.414 77 2HE LYS 8 1HE LYS 8 -10.084 11.559 17.942 78 1HZ LYS 8 1HZ LYS 8 -10.145 13.708 16.808 79 2HZ LYS 8 2HZ LYS 8 -10.486 13.846 18.454 80 3HZ LYS 8 3HZ LYS 8 -11.737 13.976 17.342 81 H GLU 9 H GLU 9 -13.527 8.182 13.162 82 HA GLU 9 HA GLU 9 -11.820 6.598 14.941 83 1HB GLU 9 2HB GLU 9 -13.455 5.709 12.580 84 2HB GLU 9 1HB GLU 9 -12.460 4.680 13.598 85 1HG GLU 9 2HG GLU 9 -13.889 5.062 15.482 86 2HG GLU 9 1HG GLU 9 -14.822 6.260 14.582 87 H LYS 10 H LYS 10 -9.807 7.193 14.457 88 HA LYS 10 HA LYS 10 -8.992 7.330 11.673 89 1HB LYS 10 2HB LYS 10 -7.979 8.849 13.433 90 2HB LYS 10 1HB LYS 10 -7.292 7.420 14.192 91 1HG LYS 10 2HG LYS 10 -5.619 8.535 12.844 92 2HG LYS 10 1HG LYS 10 -6.015 6.964 12.140 93 1HD LYS 10 2HD LYS 10 -7.522 8.062 10.547 94 2HD LYS 10 1HD LYS 10 -7.107 9.629 11.244 95 1HE LYS 10 2HE LYS 10 -4.752 9.243 10.609 96 2HE LYS 10 1HE LYS 10 -5.233 7.727 9.848 97 1HZ LYS 10 1HZ LYS 10 -6.230 10.419 9.090 98 2HZ LYS 10 2HZ LYS 10 -6.628 8.965 8.314 99 3HZ LYS 10 3HZ LYS 10 -5.056 9.546 8.248 100 H LYS 11 H LYS 11 -8.849 5.419 10.725 101 HA LYS 11 HA LYS 11 -7.660 3.184 12.177 102 1HB LYS 11 2HB LYS 11 -10.096 3.051 12.580 103 2HB LYS 11 1HB LYS 11 -10.372 3.053 10.843 104 1HG LYS 11 2HG LYS 11 -9.095 0.965 10.670 105 2HG LYS 11 1HG LYS 11 -8.908 0.964 12.421 106 1HD LYS 11 2HD LYS 11 -11.330 0.828 12.673 107 2HD LYS 11 1HD LYS 11 -11.510 0.834 10.913 108 1HE LYS 11 2HE LYS 11 -10.022 -1.218 12.535 109 2HE LYS 11 1HE LYS 11 -11.606 -1.432 11.792 110 1HZ LYS 11 1HZ LYS 11 -9.636 -2.341 10.545 111 2HZ LYS 11 2HZ LYS 11 -9.222 -0.747 10.140 112 3HZ LYS 11 3HZ LYS 11 -10.707 -1.383 9.667 113 H GLU 12 H GLU 12 -6.728 1.674 10.827 114 HA GLU 12 HA GLU 12 -6.450 2.561 8.104 115 1HB GLU 12 2HB GLU 12 -4.500 0.918 8.050 116 2HB GLU 12 1HB GLU 12 -4.329 2.324 9.079 117 1HG GLU 12 2HG GLU 12 -3.417 0.402 10.187 118 2HG GLU 12 1HG GLU 12 -4.879 0.909 11.029 119 H GLN 13 H GLN 13 -5.802 0.454 6.711 120 HA GLN 13 HA GLN 13 -8.335 -0.563 5.946 121 1HB GLN 13 2HB GLN 13 -5.586 -0.897 4.928 122 2HB GLN 13 1HB GLN 13 -6.898 -1.898 4.342 123 1HG GLN 13 2HG GLN 13 -6.989 1.118 4.314 124 2HG GLN 13 1HG GLN 13 -6.277 0.197 3.000 125 1HE2 GLN 13 1HE2 GLN 13 -9.228 -0.881 4.722 126 2HE2 GLN 13 2HE2 GLN 13 -10.266 -0.565 3.400 127 H GLU 14 H GLU 14 -6.424 -1.819 8.291 128 HA GLU 14 HA GLU 14 -6.460 -3.763 9.488 129 1HB GLU 14 2HB GLU 14 -8.168 -4.877 7.237 130 2HB GLU 14 1HB GLU 14 -7.585 -5.882 8.554 131 1HG GLU 14 2HG GLU 14 -9.357 -3.470 8.850 132 2HG GLU 14 1HG GLU 14 -9.895 -5.151 8.862 133 H ILE 15 H ILE 15 -4.720 -2.781 7.573 134 HA ILE 15 HA ILE 15 -3.484 -5.053 6.271 135 HB ILE 15 HB ILE 15 -1.971 -3.319 5.306 136 1HG1 ILE 15 2HG1 ILE 15 -3.179 -0.857 5.646 137 2HG1 ILE 15 1HG1 ILE 15 -3.439 -1.611 7.208 138 1HG2 ILE 15 1HG2 ILE 15 -3.632 -2.280 3.841 139 2HG2 ILE 15 2HG2 ILE 15 -4.904 -2.795 4.953 140 3HG2 ILE 15 3HG2 ILE 15 -3.935 -3.999 4.104 141 1HD1 ILE 15 1HD1 ILE 15 -1.432 -0.233 7.218 142 2HD1 ILE 15 2HD1 ILE 15 -0.728 -1.257 5.968 143 3HD1 ILE 15 3HD1 ILE 15 -1.089 -1.929 7.560 144 H LYS 16 H LYS 16 -3.347 -3.018 8.977 145 HA LYS 16 HA LYS 16 -0.704 -3.098 9.512 146 1HB LYS 16 2HB LYS 16 -2.711 -1.740 10.559 147 2HB LYS 16 1HB LYS 16 -2.597 -2.979 11.801 148 1HG LYS 16 2HG LYS 16 -1.311 -1.100 12.493 149 2HG LYS 16 1HG LYS 16 -0.191 -2.397 12.056 150 1HD LYS 16 2HD LYS 16 0.018 -1.382 9.800 151 2HD LYS 16 1HD LYS 16 -1.002 -0.071 10.342 152 1HE LYS 16 2HE LYS 16 1.650 -0.762 11.604 153 2HE LYS 16 1HE LYS 16 1.384 0.547 10.456 154 1HZ LYS 16 1HZ LYS 16 0.202 0.332 13.196 155 2HZ LYS 16 2HZ LYS 16 -0.256 1.451 12.056 156 3HZ LYS 16 3HZ LYS 16 1.321 1.482 12.631 157 H LYS 17 H LYS 17 -3.318 -5.115 10.413 158 HA LYS 17 HA LYS 17 -1.623 -6.869 12.045 159 1HB LYS 17 2HB LYS 17 -4.634 -6.806 11.746 160 2HB LYS 17 1HB LYS 17 -3.763 -7.980 12.710 161 1HG LYS 17 2HG LYS 17 -4.555 -6.420 14.253 162 2HG LYS 17 1HG LYS 17 -2.869 -5.981 14.027 163 1HD LYS 17 2HD LYS 17 -4.242 -3.983 14.094 164 2HD LYS 17 1HD LYS 17 -3.587 -4.190 12.469 165 1HE LYS 17 2HE LYS 17 -5.676 -5.036 11.664 166 2HE LYS 17 1HE LYS 17 -6.337 -5.107 13.293 167 1HZ LYS 17 1HZ LYS 17 -6.252 -2.683 13.385 168 2HZ LYS 17 2HZ LYS 17 -7.167 -3.212 12.070 169 3HZ LYS 17 3HZ LYS 17 -5.653 -2.586 11.812 170 H LYS 18 H LYS 18 -2.007 -6.652 8.955 171 HA LYS 18 HA LYS 18 -2.687 -9.481 8.550 172 1HB LYS 18 2HB LYS 18 -3.817 -7.480 7.287 173 2HB LYS 18 1HB LYS 18 -2.367 -7.550 6.298 174 1HG LYS 18 2HG LYS 18 -4.122 -8.822 5.259 175 2HG LYS 18 1HG LYS 18 -2.850 -9.920 5.809 176 1HD LYS 18 2HD LYS 18 -5.075 -10.803 6.352 177 2HD LYS 18 1HD LYS 18 -4.151 -10.443 7.812 178 1HE LYS 18 2HE LYS 18 -5.348 -8.267 7.968 179 2HE LYS 18 1HE LYS 18 -6.341 -8.742 6.593 180 1HZ LYS 18 1HZ LYS 18 -6.149 -10.198 9.162 181 2HZ LYS 18 2HZ LYS 18 -7.171 -10.620 7.894 182 3HZ LYS 18 3HZ LYS 18 -7.411 -9.159 8.758 183 H PHE 19 H PHE 19 -0.442 -7.028 7.171 184 HA PHE 19 HA PHE 19 1.515 -9.057 6.563 185 1HB PHE 19 2HB PHE 19 1.151 -6.811 5.313 186 2HB PHE 19 1HB PHE 19 1.926 -6.039 6.680 187 HD1 PHE 19 1HD PHE 19 4.324 -7.432 7.238 188 HD2 PHE 19 2HD PHE 19 2.457 -6.916 3.457 189 HE1 PHE 19 1HE PHE 19 6.507 -7.653 6.134 190 HE2 PHE 19 2HE PHE 19 4.637 -7.140 2.353 191 HZ PHE 19 HZ PHE 19 6.678 -7.479 3.684 192 H LYS 20 H LYS 20 0.602 -6.964 9.107 193 HA LYS 20 HA LYS 20 1.137 -6.697 11.242 194 1HB LYS 20 2HB LYS 20 2.963 -9.083 10.864 195 2HB LYS 20 1HB LYS 20 2.512 -8.389 12.417 196 1HG LYS 20 2HG LYS 20 0.250 -9.069 12.165 197 2HG LYS 20 1HG LYS 20 0.496 -9.490 10.470 198 1HD LYS 20 2HD LYS 20 0.425 -11.500 11.808 199 2HD LYS 20 1HD LYS 20 2.050 -11.271 11.169 200 1HE LYS 20 2HE LYS 20 2.664 -10.238 13.372 201 2HE LYS 20 1HE LYS 20 1.080 -10.738 13.974 202 1HZ LYS 20 1HZ LYS 20 1.692 -13.056 13.403 203 2HZ LYS 20 2HZ LYS 20 2.733 -12.392 14.541 204 3HZ LYS 20 3HZ LYS 20 3.207 -12.497 12.917 205 H LEU 21 H LEU 21 1.937 -4.745 11.034 206 HA LEU 21 HA LEU 21 4.786 -4.523 10.391 207 1HB LEU 21 2HB LEU 21 2.902 -2.179 10.596 208 2HB LEU 21 1HB LEU 21 4.496 -2.239 9.997 209 HG LEU 21 HG LEU 21 3.256 -2.131 8.017 210 1HD1 LEU 21 1HD1 LEU 21 3.611 -4.238 6.881 211 2HD1 LEU 21 2HD1 LEU 21 3.875 -5.008 8.443 212 3HD1 LEU 21 3HD1 LEU 21 4.988 -3.760 7.883 213 1HD2 LEU 21 1HD2 LEU 21 1.425 -4.352 8.986 214 2HD2 LEU 21 2HD2 LEU 21 1.391 -3.614 7.402 215 3HD2 LEU 21 3HD2 LEU 21 0.979 -2.650 8.810 216 H THR 22 H THR 22 2.656 -4.298 12.963 217 HA THR 22 HA THR 22 2.773 -3.968 15.017 218 HB THR 22 HB THR 22 4.874 -4.056 16.371 219 HG1 THR 22 1HG THR 22 6.058 -3.782 13.825 220 1HG2 THR 22 1HG2 THR 22 5.537 -6.326 15.698 221 2HG2 THR 22 2HG2 THR 22 4.690 -6.106 14.166 222 3HG2 THR 22 3HG2 THR 22 3.787 -6.116 15.682 223 H GLY 23 H GLY 23 5.327 -1.709 13.953 224 1HA GLY 23 2HA GLY 23 3.934 0.264 15.637 225 2HA GLY 23 1HA GLY 23 5.670 0.255 15.357 226 HA PRO 24 HA PRO 24 4.360 3.330 12.376 227 1HB PRO 24 2HB PRO 24 6.827 4.376 11.975 228 2HB PRO 24 1HB PRO 24 5.841 4.778 13.383 229 1HG PRO 24 2HG PRO 24 8.117 2.864 13.148 230 2HG PRO 24 1HG PRO 24 7.733 3.998 14.454 231 1HD PRO 24 2HD PRO 24 7.170 1.336 14.573 232 2HD PRO 24 1HD PRO 24 6.222 2.580 15.413 233 H ILE 25 H ILE 25 4.951 3.783 10.177 234 HA ILE 25 HA ILE 25 6.396 1.627 8.844 235 HB ILE 25 HB ILE 25 3.991 1.057 8.893 236 1HG1 ILE 25 2HG1 ILE 25 3.595 0.863 6.397 237 2HG1 ILE 25 1HG1 ILE 25 5.106 1.744 6.193 238 1HG2 ILE 25 1HG2 ILE 25 2.314 2.326 7.662 239 2HG2 ILE 25 2HG2 ILE 25 3.492 3.614 7.417 240 3HG2 ILE 25 3HG2 ILE 25 2.966 3.200 9.050 241 1HD1 ILE 25 1HD1 ILE 25 6.291 0.004 7.411 242 2HD1 ILE 25 2HD1 ILE 25 5.451 -0.643 6.001 243 3HD1 ILE 25 3HD1 ILE 25 4.779 -0.883 7.617 244 H GLN 26 H GLN 26 7.803 2.444 7.359 245 HA GLN 26 HA GLN 26 7.328 5.201 6.398 246 1HB GLN 26 2HB GLN 26 9.622 5.737 6.567 247 2HB GLN 26 1HB GLN 26 9.289 4.881 8.066 248 1HG GLN 26 2HG GLN 26 10.266 2.841 7.131 249 2HG GLN 26 1HG GLN 26 10.525 3.687 5.602 250 1HE2 GLN 26 1HE2 GLN 26 11.390 6.163 6.946 251 2HE2 GLN 26 2HE2 GLN 26 12.959 5.851 7.554 252 H VAL 27 H VAL 27 8.529 5.593 4.305 253 HA VAL 27 HA VAL 27 8.191 3.330 2.541 254 HB VAL 27 HB VAL 27 8.901 6.223 2.052 255 1HG1 VAL 27 1HG1 VAL 27 10.088 4.869 0.420 256 2HG1 VAL 27 2HG1 VAL 27 8.762 5.750 -0.353 257 3HG1 VAL 27 3HG1 VAL 27 8.594 4.024 0.017 258 1HG2 VAL 27 1HG2 VAL 27 6.586 4.525 1.313 259 2HG2 VAL 27 2HG2 VAL 27 6.799 6.214 0.846 260 3HG2 VAL 27 3HG2 VAL 27 6.603 5.769 2.573 261 H ILE 28 H ILE 28 9.771 2.277 1.684 262 HA ILE 28 HA ILE 28 12.508 2.924 2.452 263 HB ILE 28 HB ILE 28 11.204 0.327 1.632 264 1HG1 ILE 28 2HG1 ILE 28 12.310 -0.532 3.732 265 2HG1 ILE 28 1HG1 ILE 28 12.831 1.108 4.064 266 1HG2 ILE 28 1HG2 ILE 28 14.170 0.778 1.864 267 2HG2 ILE 28 2HG2 ILE 28 13.270 0.411 0.388 268 3HG2 ILE 28 3HG2 ILE 28 13.377 -0.793 1.675 269 1HD1 ILE 28 1HD1 ILE 28 10.907 0.503 5.379 270 2HD1 ILE 28 2HD1 ILE 28 9.997 0.128 3.914 271 3HD1 ILE 28 3HD1 ILE 28 10.493 1.788 4.244 272 H HIS 29 H HIS 29 10.392 2.604 -0.350 273 HA HIS 29 HA HIS 29 12.388 3.636 -2.134 274 1HB HIS 29 2HB HIS 29 11.640 0.722 -2.421 275 2HB HIS 29 1HB HIS 29 12.207 1.666 -3.777 276 HD1 HIS 29 1HD HIS 29 13.379 -0.838 -1.612 277 HD2 HIS 29 2HD HIS 29 14.997 2.828 -2.753 278 HE1 HIS 29 1HE HIS 29 15.833 -1.045 -1.274 279 HE2 HIS 29 2HE HIS 29 16.814 1.120 -2.004 280 H LEU 30 H LEU 30 11.542 3.640 -4.390 281 HA LEU 30 HA LEU 30 8.621 3.914 -4.315 282 1HB LEU 30 2HB LEU 30 10.692 5.317 -6.018 283 2HB LEU 30 1HB LEU 30 8.986 5.367 -6.386 284 HG LEU 30 HG LEU 30 8.597 6.542 -4.213 285 1HD1 LEU 30 1HD1 LEU 30 11.601 6.671 -4.065 286 2HD1 LEU 30 2HD1 LEU 30 10.544 5.775 -2.972 287 3HD1 LEU 30 3HD1 LEU 30 10.469 7.537 -3.026 288 1HD2 LEU 30 1HD2 LEU 30 10.565 7.848 -6.077 289 2HD2 LEU 30 2HD2 LEU 30 9.515 8.684 -4.931 290 3HD2 LEU 30 3HD2 LEU 30 8.813 7.790 -6.281 291 H ALA 31 H ALA 31 7.647 2.389 -5.277 292 HA ALA 31 HA ALA 31 8.963 0.818 -7.362 293 1HB ALA 31 1HB ALA 31 6.425 0.156 -5.874 294 2HB ALA 31 2HB ALA 31 8.035 -0.511 -5.510 295 3HB ALA 31 3HB ALA 31 7.260 -0.852 -7.050 296 H LYS 32 H LYS 32 7.884 0.232 -9.138 297 HA LYS 32 HA LYS 32 5.933 2.186 -10.112 298 1HB LYS 32 2HB LYS 32 8.006 2.153 -11.353 299 2HB LYS 32 1HB LYS 32 7.943 0.404 -11.455 300 1HG LYS 32 2HG LYS 32 5.874 0.645 -12.827 301 2HG LYS 32 1HG LYS 32 6.162 2.386 -12.855 302 1HD LYS 32 2HD LYS 32 7.080 1.345 -14.857 303 2HD LYS 32 1HD LYS 32 8.384 1.974 -13.844 304 1HE LYS 32 2HE LYS 32 8.746 -0.265 -12.922 305 2HE LYS 32 1HE LYS 32 7.452 -0.894 -13.936 306 1HZ LYS 32 1HZ LYS 32 9.583 -1.345 -14.877 307 2HZ LYS 32 2HZ LYS 32 10.004 0.292 -14.893 308 3HZ LYS 32 3HZ LYS 32 8.755 -0.271 -15.882 309 H ALA 33 H ALA 33 3.907 1.329 -10.357 310 HA ALA 33 HA ALA 33 3.391 -1.399 -10.004 311 1HB ALA 33 1HB ALA 33 1.801 0.708 -11.459 312 2HB ALA 33 2HB ALA 33 1.655 0.292 -9.746 313 3HB ALA 33 3HB ALA 33 1.208 -0.877 -10.986 314 H CYS 34 H CYS 34 4.028 -2.917 -11.319 315 HA CYS 34 HA CYS 34 4.812 -2.327 -14.046 316 1HB CYS 34 2HB CYS 34 6.213 -3.771 -12.613 317 2HB CYS 34 1HB CYS 34 4.884 -4.910 -12.467 318 HG CYS 34 HG CYS 34 6.381 -4.089 -15.390 319 H CYS 35 H CYS 35 2.082 -3.453 -12.368 320 HA CYS 35 HA CYS 35 0.787 -4.107 -14.882 321 1HB CYS 35 2HB CYS 35 1.666 -6.219 -13.848 322 2HB CYS 35 1HB CYS 35 0.682 -5.884 -12.432 323 HG CYS 35 HG CYS 35 -0.016 -7.502 -15.072 324 H ASP 36 H ASP 36 -1.495 -3.891 -14.687 325 HA ASP 36 HA ASP 36 -2.307 -2.237 -12.456 326 1HB ASP 36 2HB ASP 36 -4.361 -1.727 -13.753 327 2HB ASP 36 1HB ASP 36 -2.896 -1.321 -14.625 328 H VAL 37 H VAL 37 -2.829 -3.368 -10.823 329 HA VAL 37 HA VAL 37 -4.637 -5.669 -11.191 330 HB VAL 37 HB VAL 37 -2.348 -6.164 -10.208 331 1HG1 VAL 37 1HG1 VAL 37 -2.058 -4.207 -8.924 332 2HG1 VAL 37 2HG1 VAL 37 -1.946 -5.628 -7.887 333 3HG1 VAL 37 3HG1 VAL 37 -3.411 -4.631 -7.887 334 1HG2 VAL 37 1HG2 VAL 37 -4.151 -7.723 -9.849 335 2HG2 VAL 37 2HG2 VAL 37 -4.679 -6.801 -8.429 336 3HG2 VAL 37 3HG2 VAL 37 -3.114 -7.617 -8.421 337 H LYS 38 H LYS 38 -6.362 -5.892 -9.550 338 HA LYS 38 HA LYS 38 -6.942 -3.329 -8.319 339 1HB LYS 38 2HB LYS 38 -9.400 -3.715 -8.859 340 2HB LYS 38 1HB LYS 38 -8.369 -3.261 -10.198 341 1HG LYS 38 2HG LYS 38 -9.076 -6.129 -9.658 342 2HG LYS 38 1HG LYS 38 -10.150 -5.068 -10.564 343 1HD LYS 38 2HD LYS 38 -8.395 -4.673 -12.215 344 2HD LYS 38 1HD LYS 38 -7.273 -5.659 -11.277 345 1HE LYS 38 2HE LYS 38 -8.231 -6.874 -13.193 346 2HE LYS 38 1HE LYS 38 -8.640 -7.622 -11.651 347 1HZ LYS 38 1HZ LYS 38 -10.504 -7.459 -13.255 348 2HZ LYS 38 2HZ LYS 38 -10.461 -5.769 -13.097 349 3HZ LYS 38 3HZ LYS 38 -10.817 -6.742 -11.763 350 H GLY 39 H GLY 39 -5.717 -5.270 -6.998 351 1HA GLY 39 2HA GLY 39 -5.814 -6.089 -4.873 352 2HA GLY 39 1HA GLY 39 -7.457 -5.522 -4.750 353 H GLY 40 H GLY 40 -5.643 -7.967 -6.499 354 1HA GLY 40 2HA GLY 40 -7.965 -9.707 -6.444 355 2HA GLY 40 1HA GLY 40 -6.451 -10.009 -7.297 356 H LYS 41 H LYS 41 -8.264 -11.171 -4.926 357 HA LYS 41 HA LYS 41 -7.940 -12.622 -3.224 358 1HB LYS 41 2HB LYS 41 -5.141 -12.775 -4.393 359 2HB LYS 41 1HB LYS 41 -5.614 -13.721 -2.998 360 1HG LYS 41 2HG LYS 41 -5.705 -15.093 -4.990 361 2HG LYS 41 1HG LYS 41 -7.337 -14.850 -4.376 362 1HD LYS 41 2HD LYS 41 -7.752 -13.179 -6.087 363 2HD LYS 41 1HD LYS 41 -6.088 -13.307 -6.651 364 1HE LYS 41 2HE LYS 41 -6.487 -15.634 -7.297 365 2HE LYS 41 1HE LYS 41 -8.146 -15.515 -6.708 366 1HZ LYS 41 1HZ LYS 41 -7.810 -15.194 -9.193 367 2HZ LYS 41 2HZ LYS 41 -7.101 -13.709 -8.811 368 3HZ LYS 41 3HZ LYS 41 -8.699 -14.007 -8.419 369 H ASN 42 H ASN 42 -7.803 -9.937 -2.861 370 HA ASN 42 HA ASN 42 -7.578 -8.390 -1.287 371 1HB ASN 42 2HB ASN 42 -8.062 -10.163 0.356 372 2HB ASN 42 1HB ASN 42 -6.361 -10.591 0.413 373 1HD2 ASN 42 1HD2 ASN 42 -5.051 -9.483 1.717 374 2HD2 ASN 42 2HD2 ASN 42 -5.548 -8.195 2.755 375 H GLU 43 H GLU 43 -6.346 -7.077 -2.432 376 HA GLU 43 HA GLU 43 -3.525 -6.871 -1.812 377 1HB GLU 43 2HB GLU 43 -3.913 -8.569 -3.749 378 2HB GLU 43 1HB GLU 43 -4.417 -7.190 -4.669 379 1HG GLU 43 2HG GLU 43 -2.328 -6.260 -4.787 380 2HG GLU 43 1HG GLU 43 -1.736 -7.137 -3.372 381 H LEU 44 H LEU 44 -2.770 -4.966 -3.635 382 HA LEU 44 HA LEU 44 -4.472 -2.680 -2.914 383 1HB LEU 44 2HB LEU 44 -1.742 -3.061 -2.991 384 2HB LEU 44 1HB LEU 44 -2.042 -2.389 -4.562 385 HG LEU 44 HG LEU 44 -2.675 -1.017 -1.948 386 1HD1 LEU 44 1HD1 LEU 44 -0.902 0.459 -2.578 387 2HD1 LEU 44 2HD1 LEU 44 -0.593 -0.553 -4.007 388 3HD1 LEU 44 3HD1 LEU 44 -0.358 -1.218 -2.371 389 1HD2 LEU 44 1HD2 LEU 44 -4.211 -0.287 -3.708 390 2HD2 LEU 44 2HD2 LEU 44 -2.830 0.063 -4.753 391 3HD2 LEU 44 3HD2 LEU 44 -3.065 0.978 -3.266 392 H SER 45 H SER 45 -5.277 -1.250 -4.524 393 HA SER 45 HA SER 45 -5.407 -2.355 -7.181 394 1HB SER 45 2HB SER 45 -7.122 -0.246 -5.854 395 2HB SER 45 1HB SER 45 -7.349 -0.852 -7.493 396 HG SER 45 HG SER 45 -7.457 -2.456 -5.137 397 H PHE 46 H PHE 46 -4.188 -1.488 -8.689 398 HA PHE 46 HA PHE 46 -3.669 1.318 -8.864 399 1HB PHE 46 2HB PHE 46 -1.125 0.905 -9.004 400 2HB PHE 46 1HB PHE 46 -1.842 0.898 -7.391 401 HD1 PHE 46 1HD PHE 46 -1.696 -1.027 -6.039 402 HD2 PHE 46 2HD PHE 46 -0.496 -1.204 -10.107 403 HE1 PHE 46 1HE PHE 46 -0.643 -3.205 -5.633 404 HE2 PHE 46 2HE PHE 46 0.563 -3.383 -9.710 405 HZ PHE 46 HZ PHE 46 0.474 -4.396 -7.476 406 H LYS 47 H LYS 47 -1.987 1.555 -10.817 407 HA LYS 47 HA LYS 47 -2.606 -0.462 -12.821 408 1HB LYS 47 2HB LYS 47 -2.938 2.530 -13.126 409 2HB LYS 47 1HB LYS 47 -2.874 1.411 -14.476 410 1HG LYS 47 2HG LYS 47 -4.888 0.310 -13.662 411 2HG LYS 47 1HG LYS 47 -4.950 1.435 -12.301 412 1HD LYS 47 2HD LYS 47 -5.196 3.300 -13.823 413 2HD LYS 47 1HD LYS 47 -5.049 2.213 -15.207 414 1HE LYS 47 2HE LYS 47 -7.087 1.080 -14.567 415 2HE LYS 47 1HE LYS 47 -7.209 2.070 -13.114 416 1HZ LYS 47 1HZ LYS 47 -8.654 2.902 -14.830 417 2HZ LYS 47 2HZ LYS 47 -7.351 3.080 -15.905 418 3HZ LYS 47 3HZ LYS 47 -7.433 4.025 -14.530 419 H GLN 48 H GLN 48 -1.025 -0.607 -14.388 420 HA GLN 48 HA GLN 48 1.581 -0.257 -13.698 421 1HB GLN 48 2HB GLN 48 0.869 -1.631 -15.616 422 2HB GLN 48 1HB GLN 48 0.477 -0.184 -16.525 423 1HG GLN 48 2HG GLN 48 3.253 -0.325 -15.564 424 2HG GLN 48 1HG GLN 48 2.806 -1.583 -16.703 425 1HE2 GLN 48 1HE2 GLN 48 1.423 1.681 -16.886 426 2HE2 GLN 48 2HE2 GLN 48 2.265 2.118 -18.319 427 H GLY 49 H GLY 49 2.810 1.423 -13.340 428 1HA GLY 49 2HA GLY 49 3.846 3.482 -13.797 429 2HA GLY 49 1HA GLY 49 2.569 3.837 -14.945 430 H GLU 50 H GLU 50 1.325 2.821 -11.961 431 HA GLU 50 HA GLU 50 0.373 5.466 -11.401 432 1HB GLU 50 2HB GLU 50 -0.209 2.803 -10.322 433 2HB GLU 50 1HB GLU 50 -0.453 4.152 -9.225 434 1HG GLU 50 2HG GLU 50 -1.662 3.904 -11.978 435 2HG GLU 50 1HG GLU 50 -2.495 3.501 -10.478 436 H GLN 51 H GLN 51 3.050 3.849 -10.452 437 HA GLN 51 HA GLN 51 4.755 4.204 -9.006 438 1HB GLN 51 2HB GLN 51 4.741 6.529 -9.762 439 2HB GLN 51 1HB GLN 51 3.475 6.921 -8.611 440 1HG GLN 51 2HG GLN 51 5.014 6.424 -6.766 441 2HG GLN 51 1HG GLN 51 6.280 6.070 -7.939 442 1HE2 GLN 51 1HE2 GLN 51 3.951 8.705 -8.279 443 2HE2 GLN 51 2HE2 GLN 51 5.125 9.957 -8.099 444 H ILE 52 H ILE 52 4.945 3.138 -7.270 445 HA ILE 52 HA ILE 52 2.930 3.364 -5.144 446 HB ILE 52 HB ILE 52 4.479 0.895 -5.988 447 1HG1 ILE 52 2HG1 ILE 52 1.716 1.817 -6.825 448 2HG1 ILE 52 1HG1 ILE 52 3.117 1.426 -7.806 449 1HG2 ILE 52 1HG2 ILE 52 2.072 1.196 -4.188 450 2HG2 ILE 52 2HG2 ILE 52 3.721 0.860 -3.664 451 3HG2 ILE 52 3HG2 ILE 52 2.847 -0.327 -4.630 452 1HD1 ILE 52 1HD1 ILE 52 1.582 -0.552 -6.179 453 2HD1 ILE 52 2HD1 ILE 52 2.943 -0.883 -7.250 454 3HD1 ILE 52 3HD1 ILE 52 1.418 -0.293 -7.914 455 H GLU 53 H GLU 53 3.937 3.053 -3.024 456 HA GLU 53 HA GLU 53 6.867 3.210 -3.138 457 1HB GLU 53 2HB GLU 53 5.127 4.289 -0.905 458 2HB GLU 53 1HB GLU 53 6.856 4.439 -1.098 459 1HG GLU 53 2HG GLU 53 6.632 5.843 -3.026 460 2HG GLU 53 1HG GLU 53 4.881 5.654 -3.005 461 H ILE 54 H ILE 54 7.990 1.812 -1.849 462 HA ILE 54 HA ILE 54 6.335 -0.328 -0.780 463 HB ILE 54 HB ILE 54 8.017 -1.055 -2.422 464 1HG1 ILE 54 2HG1 ILE 54 9.292 -2.718 -1.045 465 2HG1 ILE 54 1HG1 ILE 54 8.607 -1.942 0.380 466 1HG2 ILE 54 1HG2 ILE 54 10.392 -0.942 -2.018 467 2HG2 ILE 54 2HG2 ILE 54 10.096 0.038 -0.584 468 3HG2 ILE 54 3HG2 ILE 54 9.661 0.655 -2.177 469 1HD1 ILE 54 1HD1 ILE 54 6.382 -2.449 -0.407 470 2HD1 ILE 54 2HD1 ILE 54 7.367 -3.904 -0.244 471 3HD1 ILE 54 3HD1 ILE 54 7.063 -3.216 -1.841 472 H ILE 55 H ILE 55 5.987 -0.377 1.248 473 HA ILE 55 HA ILE 55 7.731 1.194 2.988 474 HB ILE 55 HB ILE 55 5.803 1.161 4.633 475 1HG1 ILE 55 2HG1 ILE 55 4.643 -0.706 3.218 476 2HG1 ILE 55 1HG1 ILE 55 3.627 0.461 4.029 477 1HG2 ILE 55 1HG2 ILE 55 5.426 2.615 2.028 478 2HG2 ILE 55 2HG2 ILE 55 6.375 3.152 3.413 479 3HG2 ILE 55 3HG2 ILE 55 4.621 3.016 3.546 480 1HD1 ILE 55 1HD1 ILE 55 2.859 0.073 1.781 481 2HD1 ILE 55 2HD1 ILE 55 4.468 0.461 1.148 482 3HD1 ILE 55 3HD1 ILE 55 3.497 1.719 1.905 483 H ARG 56 H ARG 56 6.435 -1.991 2.562 484 HA ARG 56 HA ARG 56 8.316 -2.789 4.624 485 1HB ARG 56 2HB ARG 56 6.062 -2.624 5.674 486 2HB ARG 56 1HB ARG 56 5.487 -3.807 4.520 487 1HG ARG 56 2HG ARG 56 5.885 -4.880 6.614 488 2HG ARG 56 1HG ARG 56 7.050 -5.432 5.434 489 1HD ARG 56 2HD ARG 56 7.877 -5.022 7.710 490 2HD ARG 56 1HD ARG 56 8.796 -4.216 6.435 491 HE ARG 56 HE ARG 56 7.627 -2.158 7.117 492 1HH1 ARG 56 1HH1 ARG 56 7.475 -4.837 9.475 493 2HH1 ARG 56 2HH1 ARG 56 7.615 -3.819 10.823 494 1HH2 ARG 56 1HH2 ARG 56 7.784 -0.770 8.990 495 2HH2 ARG 56 2HH2 ARG 56 7.741 -1.441 10.560 496 H ILE 57 H ILE 57 9.519 -4.325 3.978 497 HA ILE 57 HA ILE 57 8.730 -5.958 1.650 498 HB ILE 57 HB ILE 57 11.354 -6.238 1.575 499 1HG1 ILE 57 2HG1 ILE 57 11.782 -4.585 3.395 500 2HG1 ILE 57 1HG1 ILE 57 12.639 -4.248 1.893 501 1HG2 ILE 57 1HG2 ILE 57 9.863 -4.017 0.208 502 2HG2 ILE 57 2HG2 ILE 57 10.052 -5.680 -0.341 503 3HG2 ILE 57 3HG2 ILE 57 11.450 -4.608 -0.282 504 1HD1 ILE 57 1HD1 ILE 57 11.009 -2.513 1.356 505 2HD1 ILE 57 2HD1 ILE 57 11.725 -2.210 2.963 506 3HD1 ILE 57 3HD1 ILE 57 10.118 -2.919 2.815 507 H THR 58 H THR 58 10.324 -5.904 4.713 508 HA THR 58 HA THR 58 10.836 -8.740 4.407 509 HB THR 58 HB THR 58 12.879 -7.567 4.610 510 HG1 THR 58 1HG THR 58 13.090 -9.307 5.768 511 1HG2 THR 58 1HG2 THR 58 13.407 -6.027 6.445 512 2HG2 THR 58 2HG2 THR 58 11.719 -6.151 6.997 513 3HG2 THR 58 3HG2 THR 58 12.088 -5.476 5.411 514 H ASP 59 H ASP 59 10.566 -10.065 6.236 515 HA ASP 59 HA ASP 59 9.584 -10.945 8.050 516 1HB ASP 59 2HB ASP 59 9.926 -8.776 9.294 517 2HB ASP 59 1HB ASP 59 8.373 -8.219 8.686 518 H ASN 60 H ASN 60 8.481 -10.167 5.390 519 HA ASN 60 HA ASN 60 5.718 -10.130 5.358 520 1HB ASN 60 2HB ASN 60 5.897 -11.109 3.057 521 2HB ASN 60 1HB ASN 60 6.903 -9.698 3.333 522 1HD2 ASN 60 1HD2 ASN 60 6.885 -13.152 2.853 523 2HD2 ASN 60 2HD2 ASN 60 8.554 -13.288 2.450 524 HA PRO 61 HA PRO 61 4.699 -14.083 7.060 525 1HB PRO 61 2HB PRO 61 1.977 -13.423 6.141 526 2HB PRO 61 1HB PRO 61 2.568 -13.721 7.780 527 1HG PRO 61 2HG PRO 61 1.879 -11.265 6.982 528 2HG PRO 61 1HG PRO 61 3.256 -11.532 8.070 529 1HD PRO 61 2HD PRO 61 3.252 -11.024 5.116 530 2HD PRO 61 1HD PRO 61 4.295 -10.329 6.377 531 H GLU 62 H GLU 62 3.428 -13.107 3.883 532 HA GLU 62 HA GLU 62 3.111 -15.942 3.199 533 1HB GLU 62 2HB GLU 62 1.184 -14.426 2.858 534 2HB GLU 62 1HB GLU 62 2.144 -13.496 1.719 535 1HG GLU 62 2HG GLU 62 0.624 -14.951 0.543 536 2HG GLU 62 1HG GLU 62 2.284 -15.464 0.256 537 H GLY 63 H GLY 63 4.514 -12.964 1.935 538 1HA GLY 63 2HA GLY 63 6.900 -13.605 1.030 539 2HA GLY 63 1HA GLY 63 5.935 -14.540 -0.106 540 H LYS 64 H LYS 64 4.089 -11.971 0.538 541 HA LYS 64 HA LYS 64 5.095 -10.518 -1.750 542 1HB LYS 64 2HB LYS 64 2.927 -9.542 -1.917 543 2HB LYS 64 1HB LYS 64 2.789 -11.293 -1.886 544 1HG LYS 64 2HG LYS 64 2.092 -11.120 0.475 545 2HG LYS 64 1HG LYS 64 2.244 -9.386 0.342 546 1HD LYS 64 2HD LYS 64 -0.113 -10.218 -0.013 547 2HD LYS 64 1HD LYS 64 0.544 -9.169 -1.268 548 1HE LYS 64 2HE LYS 64 1.173 -11.260 -2.519 549 2HE LYS 64 1HE LYS 64 0.231 -12.156 -1.332 550 1HZ LYS 64 1HZ LYS 64 -1.727 -10.875 -2.002 551 2HZ LYS 64 2HZ LYS 64 -1.035 -11.751 -3.252 552 3HZ LYS 64 3HZ LYS 64 -0.822 -10.089 -3.220 553 H TRP 65 H TRP 65 4.594 -8.198 -1.602 554 HA TRP 65 HA TRP 65 6.017 -7.184 0.779 555 1HB TRP 65 2HB TRP 65 5.841 -6.245 -2.053 556 2HB TRP 65 1HB TRP 65 6.456 -5.192 -0.803 557 HD1 TRP 65 HD TRP 65 7.955 -7.944 0.559 558 HE1 TRP 65 1HE TRP 65 10.203 -8.600 -0.463 559 HE3 TRP 65 3HE TRP 65 7.581 -5.416 -3.881 560 HZ2 TRP 65 2HZ TRP 65 11.647 -8.116 -2.855 561 HZ3 TRP 65 3HZ TRP 65 9.445 -5.567 -5.471 562 HH2 TRP 65 HH TRP 65 11.432 -6.886 -4.970 563 H LEU 66 H LEU 66 5.525 -4.789 1.170 564 HA LEU 66 HA LEU 66 2.602 -4.366 1.079 565 1HB LEU 66 2HB LEU 66 3.629 -4.678 3.354 566 2HB LEU 66 1HB LEU 66 4.629 -3.276 3.039 567 HG LEU 66 HG LEU 66 2.560 -1.901 2.866 568 1HD1 LEU 66 1HD1 LEU 66 1.024 -3.668 2.296 569 2HD1 LEU 66 2HD1 LEU 66 0.518 -2.812 3.768 570 3HD1 LEU 66 3HD1 LEU 66 1.280 -4.403 3.887 571 1HD2 LEU 66 1HD2 LEU 66 2.947 -3.398 5.446 572 2HD2 LEU 66 2HD2 LEU 66 2.129 -1.845 5.259 573 3HD2 LEU 66 3HD2 LEU 66 3.855 -1.980 4.921 574 H GLY 67 H GLY 67 2.217 -2.990 -0.526 575 1HA GLY 67 2HA GLY 67 4.068 -0.741 -0.885 576 2HA GLY 67 1HA GLY 67 3.141 -1.477 -2.195 577 H ARG 68 H ARG 68 3.072 1.278 -1.477 578 HA ARG 68 HA ARG 68 0.215 1.452 -0.835 579 1HB ARG 68 2HB ARG 68 1.358 2.017 1.141 580 2HB ARG 68 1HB ARG 68 2.373 3.239 0.343 581 1HG ARG 68 2HG ARG 68 0.072 4.334 -0.171 582 2HG ARG 68 1HG ARG 68 -0.552 3.258 1.076 583 1HD ARG 68 2HD ARG 68 -0.040 5.366 2.069 584 2HD ARG 68 1HD ARG 68 1.139 4.183 2.633 585 HE ARG 68 HE ARG 68 2.085 5.531 0.337 586 1HH1 ARG 68 1HH1 ARG 68 1.491 6.081 3.760 587 2HH1 ARG 68 2HH1 ARG 68 2.732 7.216 3.981 588 1HH2 ARG 68 1HH2 ARG 68 3.845 7.089 0.573 589 2HH2 ARG 68 2HH2 ARG 68 4.126 7.795 2.087 590 H THR 69 H THR 69 -0.860 3.013 -1.780 591 HA THR 69 HA THR 69 0.427 4.428 -4.003 592 HB THR 69 HB THR 69 -2.012 4.838 -4.659 593 HG1 THR 69 1HG THR 69 -3.474 3.297 -3.755 594 1HG2 THR 69 1HG2 THR 69 -0.988 1.988 -4.606 595 2HG2 THR 69 2HG2 THR 69 -0.584 3.204 -5.817 596 3HG2 THR 69 3HG2 THR 69 -2.239 2.607 -5.684 597 H ALA 70 H ALA 70 -0.489 6.617 -4.409 598 HA ALA 70 HA ALA 70 0.273 8.358 -2.432 599 1HB ALA 70 1HB ALA 70 -0.670 10.124 -3.774 600 2HB ALA 70 2HB ALA 70 -1.664 8.959 -4.649 601 3HB ALA 70 3HB ALA 70 0.093 8.916 -4.807 602 H ARG 71 H ARG 71 -2.926 7.087 -2.956 603 HA ARG 71 HA ARG 71 -4.181 8.976 -1.153 604 1HB ARG 71 2HB ARG 71 -6.241 7.750 -1.449 605 2HB ARG 71 1HB ARG 71 -5.428 7.920 -3.002 606 1HG ARG 71 2HG ARG 71 -4.805 5.667 -3.063 607 2HG ARG 71 1HG ARG 71 -5.151 5.439 -1.347 608 1HD ARG 71 2HD ARG 71 -7.485 5.781 -1.749 609 2HD ARG 71 1HD ARG 71 -7.208 6.018 -3.486 610 HE ARG 71 HE ARG 71 -6.151 3.574 -2.528 611 1HH1 ARG 71 1HH1 ARG 71 -9.281 5.040 -3.293 612 2HH1 ARG 71 2HH1 ARG 71 -10.014 3.586 -3.799 613 1HH2 ARG 71 1HH2 ARG 71 -7.161 1.554 -3.130 614 2HH2 ARG 71 2HH2 ARG 71 -8.773 1.519 -3.653 615 H GLY 72 H GLY 72 -2.476 6.090 -0.754 616 1HA GLY 72 2HA GLY 72 -1.837 5.137 1.245 617 2HA GLY 72 1HA GLY 72 -3.107 5.991 2.091 618 H SER 73 H SER 73 -2.195 3.163 0.387 619 HA SER 73 HA SER 73 -4.383 1.683 1.269 620 1HB SER 73 2HB SER 73 -3.547 1.825 -1.629 621 2HB SER 73 1HB SER 73 -4.787 0.784 -0.967 622 HG SER 73 HG SER 73 -5.938 2.736 -0.378 623 H TYR 74 H TYR 74 -3.427 -0.113 1.675 624 HA TYR 74 HA TYR 74 -0.542 -0.376 1.126 625 1HB TYR 74 2HB TYR 74 -2.242 -0.539 3.378 626 2HB TYR 74 1HB TYR 74 -0.798 -1.603 3.477 627 HD1 TYR 74 1HD TYR 74 1.351 -0.435 3.949 628 HD2 TYR 74 2HD TYR 74 -2.236 1.804 3.539 629 HE1 TYR 74 1HE TYR 74 2.473 1.510 4.927 630 HE2 TYR 74 2HE TYR 74 -1.123 3.764 4.512 631 HH TYR 74 HH TYR 74 2.283 3.924 5.075 632 H GLY 75 H GLY 75 -1.825 -1.532 -0.625 633 1HA GLY 75 2HA GLY 75 -3.014 -3.992 0.282 634 2HA GLY 75 1HA GLY 75 -2.996 -3.370 -1.374 635 H TYR 76 H TYR 76 -1.323 -4.847 1.046 636 HA TYR 76 HA TYR 76 1.149 -5.464 0.289 637 1HB TYR 76 2HB TYR 76 -0.061 -8.057 0.757 638 2HB TYR 76 1HB TYR 76 1.014 -7.180 1.828 639 HD1 TYR 76 1HD TYR 76 -2.452 -7.686 0.833 640 HD2 TYR 76 2HD TYR 76 0.104 -6.011 3.792 641 HE1 TYR 76 1HE TYR 76 -4.370 -7.333 2.279 642 HE2 TYR 76 2HE TYR 76 -1.833 -5.660 5.240 643 HH TYR 76 HH TYR 76 -4.343 -5.401 4.989 644 H ILE 77 H ILE 77 1.822 -5.467 -1.591 645 HA ILE 77 HA ILE 77 0.560 -6.429 -3.885 646 HB ILE 77 HB ILE 77 2.874 -6.006 -4.755 647 1HG1 ILE 77 2HG1 ILE 77 3.008 -4.479 -2.156 648 2HG1 ILE 77 1HG1 ILE 77 4.042 -5.806 -2.671 649 1HG2 ILE 77 1HG2 ILE 77 0.897 -4.643 -5.247 650 2HG2 ILE 77 2HG2 ILE 77 2.278 -3.566 -4.944 651 3HG2 ILE 77 3HG2 ILE 77 1.059 -3.825 -3.684 652 1HD1 ILE 77 1HD1 ILE 77 5.152 -3.679 -2.845 653 2HD1 ILE 77 2HD1 ILE 77 3.870 -3.109 -3.941 654 3HD1 ILE 77 3HD1 ILE 77 4.928 -4.435 -4.429 655 H LYS 78 H LYS 78 0.871 -8.186 -4.845 656 HA LYS 78 HA LYS 78 2.870 -9.987 -4.054 657 1HB LYS 78 2HB LYS 78 2.184 -11.242 -6.061 658 2HB LYS 78 1HB LYS 78 0.767 -10.748 -5.141 659 1HG LYS 78 2HG LYS 78 0.556 -8.818 -6.636 660 2HG LYS 78 1HG LYS 78 1.957 -9.526 -7.484 661 1HD LYS 78 2HD LYS 78 0.627 -11.465 -8.098 662 2HD LYS 78 1HD LYS 78 -0.696 -10.945 -7.050 663 1HE LYS 78 2HE LYS 78 -0.916 -8.917 -8.508 664 2HE LYS 78 1HE LYS 78 0.230 -9.669 -9.616 665 1HZ LYS 78 1HZ LYS 78 -1.338 -11.582 -9.746 666 2HZ LYS 78 2HZ LYS 78 -1.980 -10.124 -10.341 667 3HZ LYS 78 3HZ LYS 78 -2.430 -10.669 -8.816 668 H THR 79 H THR 79 4.532 -9.412 -4.352 669 HA THR 79 HA THR 79 6.191 -7.539 -5.293 670 HB THR 79 HB THR 79 8.073 -9.114 -5.418 671 HG1 THR 79 1HG THR 79 7.538 -10.935 -6.281 672 1HG2 THR 79 1HG2 THR 79 7.800 -10.139 -3.220 673 2HG2 THR 79 2HG2 THR 79 6.061 -9.850 -3.311 674 3HG2 THR 79 3HG2 THR 79 7.176 -8.483 -3.223 675 H THR 80 H THR 80 5.060 -10.143 -7.287 676 HA THR 80 HA THR 80 6.581 -9.558 -9.595 677 HB THR 80 HB THR 80 5.618 -11.762 -9.155 678 HG1 THR 80 1HG THR 80 5.986 -11.687 -11.191 679 1HG2 THR 80 1HG2 THR 80 3.186 -12.158 -9.480 680 2HG2 THR 80 2HG2 THR 80 2.962 -10.398 -9.616 681 3HG2 THR 80 3HG2 THR 80 3.553 -11.094 -8.125 682 H ALA 81 H ALA 81 3.822 -7.853 -8.265 683 HA ALA 81 HA ALA 81 2.921 -7.027 -10.878 684 1HB ALA 81 1HB ALA 81 1.136 -5.897 -9.662 685 2HB ALA 81 2HB ALA 81 1.912 -6.316 -8.130 686 3HB ALA 81 3HB ALA 81 1.268 -7.588 -9.167 687 H VAL 82 H VAL 82 5.319 -6.108 -8.740 688 HA VAL 82 HA VAL 82 5.317 -3.413 -9.908 689 HB VAL 82 HB VAL 82 6.216 -2.454 -7.819 690 1HG1 VAL 82 1HG1 VAL 82 3.469 -3.665 -7.531 691 2HG1 VAL 82 2HG1 VAL 82 3.881 -2.149 -8.339 692 3HG1 VAL 82 3HG1 VAL 82 4.107 -2.308 -6.606 693 1HG2 VAL 82 1HG2 VAL 82 5.401 -5.085 -6.587 694 2HG2 VAL 82 2HG2 VAL 82 5.897 -3.657 -5.694 695 3HG2 VAL 82 3HG2 VAL 82 7.050 -4.479 -6.751 696 H GLU 83 H GLU 83 7.236 -2.413 -10.033 697 HA GLU 83 HA GLU 83 9.607 -4.077 -9.594 698 1HB GLU 83 2HB GLU 83 9.104 -1.933 -11.619 699 2HB GLU 83 1HB GLU 83 10.691 -2.652 -11.358 700 1HG GLU 83 2HG GLU 83 9.502 -4.873 -11.962 701 2HG GLU 83 1HG GLU 83 8.244 -3.827 -12.624 702 H ILE 84 H ILE 84 10.484 -3.302 -7.791 703 HA ILE 84 HA ILE 84 9.920 -0.581 -7.067 704 HB ILE 84 HB ILE 84 11.136 -0.879 -5.025 705 1HG1 ILE 84 2HG1 ILE 84 11.946 -3.653 -5.855 706 2HG1 ILE 84 1HG1 ILE 84 12.980 -2.257 -6.154 707 1HG2 ILE 84 1HG2 ILE 84 8.908 -1.807 -5.045 708 2HG2 ILE 84 2HG2 ILE 84 9.959 -2.786 -4.025 709 3HG2 ILE 84 3HG2 ILE 84 9.527 -3.347 -5.640 710 1HD1 ILE 84 1HD1 ILE 84 11.975 -3.167 -3.478 711 2HD1 ILE 84 2HD1 ILE 84 12.981 -1.756 -3.801 712 3HD1 ILE 84 3HD1 ILE 84 13.621 -3.372 -4.115 713 H ASP 85 H ASP 85 11.623 0.879 -6.437 714 HA ASP 85 HA ASP 85 13.676 0.993 -8.483 715 1HB ASP 85 2HB ASP 85 12.354 2.981 -7.774 716 2HB ASP 85 1HB ASP 85 13.091 2.877 -6.181 717 H TYR 86 H TYR 86 15.357 -0.219 -8.057 718 HA TYR 86 HA TYR 86 16.174 -0.813 -5.335 719 1HB TYR 86 2HB TYR 86 17.578 -1.485 -7.951 720 2HB TYR 86 1HB TYR 86 17.941 -2.186 -6.377 721 HD1 TYR 86 1HD TYR 86 15.693 -2.235 -9.250 722 HD2 TYR 86 2HD TYR 86 16.381 -3.817 -5.364 723 HE1 TYR 86 1HE TYR 86 14.043 -4.002 -9.688 724 HE2 TYR 86 2HE TYR 86 14.735 -5.594 -5.793 725 HH TYR 86 HH TYR 86 13.455 -6.192 -8.927 726 H ASP 87 H ASP 87 17.586 0.661 -8.177 727 HA ASP 87 HA ASP 87 18.194 3.084 -6.893 728 1HB ASP 87 2HB ASP 87 20.198 1.530 -6.241 729 2HB ASP 87 1HB ASP 87 20.616 1.589 -7.950 730 H SER 88 H SER 88 16.573 3.007 -8.593 731 HA SER 88 HA SER 88 17.592 2.670 -11.312 732 1HB SER 88 2HB SER 88 14.741 3.081 -10.387 733 2HB SER 88 1HB SER 88 15.283 2.500 -11.962 734 HG SER 88 HG SER 88 16.401 0.925 -10.236 735 H LEU 89 H LEU 89 15.386 4.945 -9.629 736 HA LEU 89 HA LEU 89 16.667 7.195 -11.016 737 1HB LEU 89 2HB LEU 89 13.702 6.631 -10.808 738 2HB LEU 89 1HB LEU 89 14.378 8.164 -11.313 739 HG LEU 89 HG LEU 89 14.687 5.550 -12.796 740 1HD1 LEU 89 1HD1 LEU 89 12.976 7.966 -13.369 741 2HD1 LEU 89 2HD1 LEU 89 12.401 6.382 -12.849 742 3HD1 LEU 89 3HD1 LEU 89 13.169 6.567 -14.425 743 1HD2 LEU 89 1HD2 LEU 89 16.583 7.062 -13.132 744 2HD2 LEU 89 2HD2 LEU 89 15.474 8.369 -13.551 745 3HD2 LEU 89 3HD2 LEU 89 15.598 6.947 -14.592 746 H LYS 90 H LYS 90 16.846 6.042 -8.361 747 HA LYS 90 HA LYS 90 15.158 7.523 -6.603 748 1HB LYS 90 2HB LYS 90 16.542 5.270 -6.239 749 2HB LYS 90 1HB LYS 90 17.751 6.398 -5.646 750 1HG LYS 90 2HG LYS 90 14.925 6.191 -4.602 751 2HG LYS 90 1HG LYS 90 16.331 5.442 -3.864 752 1HD LYS 90 2HD LYS 90 17.250 7.562 -3.302 753 2HD LYS 90 1HD LYS 90 16.063 8.405 -4.306 754 1HE LYS 90 2HE LYS 90 15.439 6.777 -1.852 755 2HE LYS 90 1HE LYS 90 15.521 8.538 -1.916 756 1HZ LYS 90 1HZ LYS 90 13.246 7.743 -2.088 757 2HZ LYS 90 2HZ LYS 90 13.616 6.866 -3.482 758 3HZ LYS 90 3HZ LYS 90 13.693 8.549 -3.491 759 H LEU 91 H LEU 91 18.414 7.824 -7.848 760 HA LEU 91 HA LEU 91 18.849 10.146 -6.316 761 1HB LEU 91 2HB LEU 91 20.905 10.484 -7.772 762 2HB LEU 91 1HB LEU 91 20.847 9.047 -6.790 763 HG LEU 91 HG LEU 91 20.112 7.843 -8.950 764 1HD1 LEU 91 1HD1 LEU 91 19.636 9.784 -10.323 765 2HD1 LEU 91 2HD1 LEU 91 20.923 8.806 -11.029 766 3HD1 LEU 91 3HD1 LEU 91 21.316 10.306 -10.189 767 1HD2 LEU 91 1HD2 LEU 91 22.435 7.532 -9.613 768 2HD2 LEU 91 2HD2 LEU 91 22.234 7.507 -7.861 769 3HD2 LEU 91 3HD2 LEU 91 22.891 8.939 -8.655 770 H LYS 92 H LYS 92 17.891 11.860 -6.483 771 HA LYS 92 HA LYS 92 17.177 12.906 -9.122 772 1HB LYS 92 2HB LYS 92 15.733 13.266 -6.486 773 2HB LYS 92 1HB LYS 92 15.324 14.090 -7.980 774 1HG LYS 92 2HG LYS 92 14.802 11.909 -9.006 775 2HG LYS 92 1HG LYS 92 15.150 11.126 -7.464 776 1HD LYS 92 2HD LYS 92 12.745 11.470 -7.740 777 2HD LYS 92 1HD LYS 92 13.364 12.440 -6.401 778 1HE LYS 92 2HE LYS 92 13.438 14.403 -7.856 779 2HE LYS 92 1HE LYS 92 12.845 13.438 -9.201 780 1HZ LYS 92 1HZ LYS 92 11.090 14.691 -8.251 781 2HZ LYS 92 2HZ LYS 92 11.314 14.053 -6.702 782 3HZ LYS 92 3HZ LYS 92 10.797 13.065 -7.971 783 H LYS 93 H LYS 93 17.552 15.045 -9.411 784 HA LYS 93 HA LYS 93 18.647 16.972 -9.268 785 1HB LYS 93 2HB LYS 93 17.111 17.503 -7.448 786 2HB LYS 93 1HB LYS 93 18.149 16.674 -6.297 787 1HG LYS 93 2HG LYS 93 19.892 18.338 -6.655 788 2HG LYS 93 1HG LYS 93 18.885 19.150 -7.845 789 1HD LYS 93 2HD LYS 93 18.693 20.389 -5.838 790 2HD LYS 93 1HD LYS 93 17.191 19.501 -6.024 791 1HE LYS 93 2HE LYS 93 19.482 18.640 -4.245 792 2HE LYS 93 1HE LYS 93 18.100 19.568 -3.689 793 1HZ LYS 93 1HZ LYS 93 16.732 17.577 -4.543 794 2HZ LYS 93 2HZ LYS 93 17.588 17.429 -3.126 795 3HZ LYS 93 3HZ LYS 93 18.200 16.713 -4.506 796 H ASP 94 H ASP 94 20.426 15.839 -10.059 797 HA ASP 94 HA ASP 94 22.599 15.678 -8.097 798 1HB ASP 94 2HB ASP 94 22.216 13.645 -9.525 799 2HB ASP 94 1HB ASP 94 22.560 14.631 -10.945 800 H LEU 95 H LEU 95 23.650 17.469 -7.951 801 HA LEU 95 HA LEU 95 23.208 19.546 -9.827 802 1HB LEU 95 2HB LEU 95 25.065 19.467 -7.463 803 2HB LEU 95 1HB LEU 95 24.636 20.902 -8.375 804 HG LEU 95 HG LEU 95 22.774 19.231 -6.690 805 1HD1 LEU 95 1HD1 LEU 95 22.617 21.236 -5.305 806 2HD1 LEU 95 2HD1 LEU 95 23.820 22.029 -6.323 807 3HD1 LEU 95 3HD1 LEU 95 24.263 20.608 -5.375 808 1HD2 LEU 95 1HD2 LEU 95 21.611 20.099 -8.653 809 2HD2 LEU 95 2HD2 LEU 95 22.201 21.722 -8.299 810 3HD2 LEU 95 3HD2 LEU 95 21.079 20.929 -7.192 811 H GLU 96 H GLU 96 24.081 19.512 -11.689 812 HA GLU 96 HA GLU 96 26.971 19.116 -11.892 813 1HB GLU 96 2HB GLU 96 24.874 18.451 -13.991 814 2HB GLU 96 1HB GLU 96 26.610 18.250 -14.176 815 1HG GLU 96 2HG GLU 96 26.592 16.574 -12.388 816 2HG GLU 96 1HG GLU 96 24.849 16.774 -12.235 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 -27.591 8.125 -7.130 2 2H GLU 1 2HT GLU 1 -29.150 7.632 -6.648 3 3H GLU 1 3HT GLU 1 -27.814 7.434 -5.611 4 HA GLU 1 HA GLU 1 -28.780 10.010 -6.634 5 1HB GLU 1 2HB GLU 1 -29.304 8.763 -3.918 6 2HB GLU 1 1HB GLU 1 -29.644 10.433 -4.323 7 1HG GLU 1 2HG GLU 1 -31.702 9.263 -4.403 8 2HG GLU 1 1HG GLU 1 -31.241 9.587 -6.070 9 H LYS 2 H LYS 2 -27.187 8.700 -3.701 10 HA LYS 2 HA LYS 2 -25.434 11.022 -3.625 11 1HB LYS 2 2HB LYS 2 -26.554 10.208 -1.603 12 2HB LYS 2 1HB LYS 2 -25.739 8.664 -1.776 13 1HG LYS 2 2HG LYS 2 -23.565 9.933 -1.542 14 2HG LYS 2 1HG LYS 2 -24.539 11.331 -1.082 15 1HD LYS 2 2HD LYS 2 -24.539 8.646 0.303 16 2HD LYS 2 1HD LYS 2 -23.724 10.094 0.877 17 1HE LYS 2 2HE LYS 2 -26.704 9.824 0.470 18 2HE LYS 2 1HE LYS 2 -25.881 9.665 2.019 19 1HZ LYS 2 1HZ LYS 2 -25.079 11.995 1.672 20 2HZ LYS 2 2HZ LYS 2 -26.755 11.837 1.852 21 3HZ LYS 2 3HZ LYS 2 -26.113 12.108 0.336 22 H LYS 3 H LYS 3 -25.314 7.586 -4.287 23 HA LYS 3 HA LYS 3 -23.744 6.109 -4.818 24 1HB LYS 3 2HB LYS 3 -22.952 7.755 -6.528 25 2HB LYS 3 1HB LYS 3 -21.921 8.500 -5.322 26 1HG LYS 3 2HG LYS 3 -20.648 6.392 -5.155 27 2HG LYS 3 1HG LYS 3 -21.667 5.707 -6.423 28 1HD LYS 3 2HD LYS 3 -19.885 8.132 -6.691 29 2HD LYS 3 1HD LYS 3 -19.552 6.526 -7.344 30 1HE LYS 3 2HE LYS 3 -21.542 6.693 -8.759 31 2HE LYS 3 1HE LYS 3 -21.889 8.286 -8.093 32 1HZ LYS 3 1HZ LYS 3 -19.803 9.084 -9.029 33 2HZ LYS 3 2HZ LYS 3 -20.778 8.441 -10.242 34 3HZ LYS 3 3HZ LYS 3 -19.477 7.545 -9.658 35 H GLU 4 H GLU 4 -23.720 5.261 -2.873 36 HA GLU 4 HA GLU 4 -22.305 6.520 -0.689 37 1HB GLU 4 2HB GLU 4 -23.648 3.817 -0.606 38 2HB GLU 4 1HB GLU 4 -23.257 4.861 0.743 39 1HG GLU 4 2HG GLU 4 -25.577 4.995 0.522 40 2HG GLU 4 1HG GLU 4 -24.986 6.476 -0.229 41 H GLN 5 H GLN 5 -20.151 6.246 -0.687 42 HA GLN 5 HA GLN 5 -19.227 3.508 -1.097 43 1HB GLN 5 2HB GLN 5 -17.686 6.068 -1.537 44 2HB GLN 5 1HB GLN 5 -17.018 4.450 -1.668 45 1HG GLN 5 2HG GLN 5 -18.630 4.002 -3.507 46 2HG GLN 5 1HG GLN 5 -19.112 5.696 -3.426 47 1HE2 GLN 5 1HE2 GLN 5 -17.639 7.287 -4.082 48 2HE2 GLN 5 2HE2 GLN 5 -16.219 6.868 -4.991 49 H LYS 6 H LYS 6 -18.211 2.584 0.502 50 HA LYS 6 HA LYS 6 -18.253 4.001 3.054 51 1HB LYS 6 2HB LYS 6 -19.501 1.850 2.674 52 2HB LYS 6 1HB LYS 6 -17.952 1.056 2.468 53 1HG LYS 6 2HG LYS 6 -17.354 1.690 4.764 54 2HG LYS 6 1HG LYS 6 -18.952 2.416 4.958 55 1HD LYS 6 2HD LYS 6 -19.959 0.208 4.437 56 2HD LYS 6 1HD LYS 6 -18.338 -0.485 4.390 57 1HE LYS 6 2HE LYS 6 -19.263 -0.928 6.546 58 2HE LYS 6 1HE LYS 6 -18.014 0.300 6.731 59 1HZ LYS 6 1HZ LYS 6 -20.954 0.693 6.752 60 2HZ LYS 6 2HZ LYS 6 -19.898 1.990 6.687 61 3HZ LYS 6 3HZ LYS 6 -19.888 0.947 8.017 62 H GLU 7 H GLU 7 -16.162 2.439 0.764 63 HA GLU 7 HA GLU 7 -13.932 2.195 2.595 64 1HB GLU 7 2HB GLU 7 -14.105 1.589 -0.351 65 2HB GLU 7 1HB GLU 7 -12.792 1.139 0.723 66 1HG GLU 7 2HG GLU 7 -15.625 0.130 0.793 67 2HG GLU 7 1HG GLU 7 -14.180 -0.764 0.324 68 H LYS 8 H LYS 8 -14.897 4.927 1.724 69 HA LYS 8 HA LYS 8 -12.745 5.878 0.043 70 1HB LYS 8 2HB LYS 8 -14.875 7.471 1.482 71 2HB LYS 8 1HB LYS 8 -13.730 8.122 0.319 72 1HG LYS 8 2HG LYS 8 -14.682 6.729 -1.430 73 2HG LYS 8 1HG LYS 8 -15.807 6.030 -0.266 74 1HD LYS 8 2HD LYS 8 -15.674 8.924 -1.131 75 2HD LYS 8 1HD LYS 8 -16.921 7.753 -1.563 76 1HE LYS 8 2HE LYS 8 -17.483 7.534 0.837 77 2HE LYS 8 1HE LYS 8 -16.300 8.787 1.198 78 1HZ LYS 8 1HZ LYS 8 -17.663 10.279 -0.305 79 2HZ LYS 8 2HZ LYS 8 -18.324 9.821 1.145 80 3HZ LYS 8 3HZ LYS 8 -18.855 9.053 -0.269 81 H GLU 9 H GLU 9 -13.784 7.248 3.196 82 HA GLU 9 HA GLU 9 -10.932 7.303 3.838 83 1HB GLU 9 2HB GLU 9 -11.919 9.562 3.499 84 2HB GLU 9 1HB GLU 9 -13.054 9.230 4.802 85 1HG GLU 9 2HG GLU 9 -11.210 9.021 6.374 86 2HG GLU 9 1HG GLU 9 -10.060 9.314 5.073 87 H LYS 10 H LYS 10 -10.678 5.592 4.969 88 HA LYS 10 HA LYS 10 -11.990 5.400 7.569 89 1HB LYS 10 2HB LYS 10 -12.220 2.876 7.208 90 2HB LYS 10 1HB LYS 10 -13.382 3.905 6.381 91 1HG LYS 10 2HG LYS 10 -12.234 3.646 4.301 92 2HG LYS 10 1HG LYS 10 -10.897 2.812 5.083 93 1HD LYS 10 2HD LYS 10 -13.719 1.766 5.066 94 2HD LYS 10 1HD LYS 10 -12.536 1.365 3.825 95 1HE LYS 10 2HE LYS 10 -11.037 0.525 5.647 96 2HE LYS 10 1HE LYS 10 -12.368 0.772 6.775 97 1HZ LYS 10 1HZ LYS 10 -12.062 -1.531 5.792 98 2HZ LYS 10 2HZ LYS 10 -12.698 -0.873 4.353 99 3HZ LYS 10 3HZ LYS 10 -13.624 -0.871 5.757 100 H LYS 11 H LYS 11 -9.311 4.917 5.474 101 HA LYS 11 HA LYS 11 -7.168 4.558 5.762 102 1HB LYS 11 2HB LYS 11 -7.220 5.838 7.886 103 2HB LYS 11 1HB LYS 11 -7.700 4.388 8.754 104 1HG LYS 11 2HG LYS 11 -5.554 3.342 8.174 105 2HG LYS 11 1HG LYS 11 -5.081 4.807 7.320 106 1HD LYS 11 2HD LYS 11 -5.717 4.621 10.261 107 2HD LYS 11 1HD LYS 11 -4.095 4.643 9.570 108 1HE LYS 11 2HE LYS 11 -4.608 6.857 8.578 109 2HE LYS 11 1HE LYS 11 -6.160 6.831 9.416 110 1HZ LYS 11 1HZ LYS 11 -4.553 8.085 10.642 111 2HZ LYS 11 2HZ LYS 11 -3.485 6.757 10.659 112 3HZ LYS 11 3HZ LYS 11 -4.944 6.671 11.524 113 H GLU 12 H GLU 12 -5.729 2.869 5.914 114 HA GLU 12 HA GLU 12 -6.896 0.307 5.611 115 1HB GLU 12 2HB GLU 12 -4.007 1.170 5.726 116 2HB GLU 12 1HB GLU 12 -4.585 -0.394 5.185 117 1HG GLU 12 2HG GLU 12 -5.293 2.217 3.872 118 2HG GLU 12 1HG GLU 12 -3.972 1.170 3.360 119 H GLN 13 H GLN 13 -7.787 -0.255 7.598 120 HA GLN 13 HA GLN 13 -6.067 -0.441 9.945 121 1HB GLN 13 2HB GLN 13 -8.963 -1.201 9.559 122 2HB GLN 13 1HB GLN 13 -8.101 -1.251 11.081 123 1HG GLN 13 2HG GLN 13 -8.703 1.212 9.469 124 2HG GLN 13 1HG GLN 13 -9.563 0.681 10.910 125 1HE2 GLN 13 1HE2 GLN 13 -8.469 0.764 12.906 126 2HE2 GLN 13 2HE2 GLN 13 -7.175 1.883 13.142 127 H GLU 14 H GLU 14 -7.615 -2.272 7.584 128 HA GLU 14 HA GLU 14 -7.385 -4.828 8.754 129 1HB GLU 14 2HB GLU 14 -7.758 -4.222 5.826 130 2HB GLU 14 1HB GLU 14 -8.164 -5.710 6.664 131 1HG GLU 14 2HG GLU 14 -10.234 -4.778 6.552 132 2HG GLU 14 1HG GLU 14 -9.697 -4.079 8.076 133 H ILE 15 H ILE 15 -5.073 -2.905 7.331 134 HA ILE 15 HA ILE 15 -3.520 -5.069 6.186 135 HB ILE 15 HB ILE 15 -1.987 -3.316 5.441 136 1HG1 ILE 15 2HG1 ILE 15 -3.023 -0.857 6.017 137 2HG1 ILE 15 1HG1 ILE 15 -3.413 -1.709 7.488 138 1HG2 ILE 15 1HG2 ILE 15 -3.980 -3.697 4.145 139 2HG2 ILE 15 2HG2 ILE 15 -3.521 -1.996 4.086 140 3HG2 ILE 15 3HG2 ILE 15 -4.860 -2.517 5.113 141 1HD1 ILE 15 1HD1 ILE 15 -1.319 -0.502 7.705 142 2HD1 ILE 15 2HD1 ILE 15 -0.643 -1.406 6.349 143 3HD1 ILE 15 3HD1 ILE 15 -1.067 -2.242 7.847 144 H LYS 16 H LYS 16 -3.894 -3.393 9.034 145 HA LYS 16 HA LYS 16 -1.484 -2.946 10.193 146 1HB LYS 16 2HB LYS 16 -4.006 -2.639 10.945 147 2HB LYS 16 1HB LYS 16 -3.598 -4.026 11.940 148 1HG LYS 16 2HG LYS 16 -3.259 -2.064 13.211 149 2HG LYS 16 1HG LYS 16 -1.671 -2.731 12.814 150 1HD LYS 16 2HD LYS 16 -1.472 -1.158 10.958 151 2HD LYS 16 1HD LYS 16 -3.061 -0.512 11.343 152 1HE LYS 16 2HE LYS 16 -2.286 0.213 13.521 153 2HE LYS 16 1HE LYS 16 -0.693 -0.467 13.198 154 1HZ LYS 16 1HZ LYS 16 -0.826 1.935 12.848 155 2HZ LYS 16 2HZ LYS 16 -1.942 1.670 11.569 156 3HZ LYS 16 3HZ LYS 16 -0.370 1.085 11.457 157 H LYS 17 H LYS 17 -3.449 -5.736 10.867 158 HA LYS 17 HA LYS 17 -1.054 -7.161 11.799 159 1HB LYS 17 2HB LYS 17 -3.028 -6.828 13.361 160 2HB LYS 17 1HB LYS 17 -3.946 -7.899 12.314 161 1HG LYS 17 2HG LYS 17 -2.379 -9.713 12.785 162 2HG LYS 17 1HG LYS 17 -1.437 -8.633 13.817 163 1HD LYS 17 2HD LYS 17 -3.412 -8.349 15.265 164 2HD LYS 17 1HD LYS 17 -4.294 -9.494 14.250 165 1HE LYS 17 2HE LYS 17 -3.431 -10.629 16.210 166 2HE LYS 17 1HE LYS 17 -2.609 -11.212 14.766 167 1HZ LYS 17 1HZ LYS 17 -1.538 -9.208 16.680 168 2HZ LYS 17 2HZ LYS 17 -0.711 -9.770 15.318 169 3HZ LYS 17 3HZ LYS 17 -1.070 -10.822 16.590 170 H LYS 18 H LYS 18 -2.418 -6.779 9.025 171 HA LYS 18 HA LYS 18 -2.935 -9.543 8.279 172 1HB LYS 18 2HB LYS 18 -4.090 -7.464 7.283 173 2HB LYS 18 1HB LYS 18 -2.599 -7.237 6.381 174 1HG LYS 18 2HG LYS 18 -4.119 -8.368 4.955 175 2HG LYS 18 1HG LYS 18 -2.909 -9.550 5.466 176 1HD LYS 18 2HD LYS 18 -5.155 -10.517 5.559 177 2HD LYS 18 1HD LYS 18 -4.463 -10.384 7.180 178 1HE LYS 18 2HE LYS 18 -5.735 -8.283 7.521 179 2HE LYS 18 1HE LYS 18 -6.428 -8.471 5.920 180 1HZ LYS 18 1HZ LYS 18 -7.913 -9.249 7.693 181 2HZ LYS 18 2HZ LYS 18 -6.800 -10.465 8.103 182 3HZ LYS 18 3HZ LYS 18 -7.521 -10.442 6.573 183 H PHE 19 H PHE 19 -0.624 -6.964 7.440 184 HA PHE 19 HA PHE 19 1.198 -8.943 6.339 185 1HB PHE 19 2HB PHE 19 0.779 -6.630 5.319 186 2HB PHE 19 1HB PHE 19 1.625 -5.961 6.704 187 HD1 PHE 19 1HD PHE 19 4.051 -6.609 7.043 188 HD2 PHE 19 2HD PHE 19 1.934 -7.397 3.449 189 HE1 PHE 19 1HE PHE 19 6.174 -6.800 5.841 190 HE2 PHE 19 2HE PHE 19 4.060 -7.590 2.248 191 HZ PHE 19 HZ PHE 19 6.198 -7.275 3.453 192 H LYS 20 H LYS 20 0.561 -7.019 9.094 193 HA LYS 20 HA LYS 20 1.288 -6.923 11.206 194 1HB LYS 20 2HB LYS 20 3.284 -9.079 10.512 195 2HB LYS 20 1HB LYS 20 2.901 -8.511 12.126 196 1HG LYS 20 2HG LYS 20 0.735 -9.487 12.029 197 2HG LYS 20 1HG LYS 20 0.922 -9.848 10.311 198 1HD LYS 20 2HD LYS 20 2.751 -10.987 12.419 199 2HD LYS 20 1HD LYS 20 1.266 -11.787 11.919 200 1HE LYS 20 2HE LYS 20 3.210 -12.721 10.751 201 2HE LYS 20 1HE LYS 20 2.108 -11.950 9.625 202 1HZ LYS 20 1HZ LYS 20 4.513 -11.504 9.201 203 2HZ LYS 20 2HZ LYS 20 4.629 -10.655 10.627 204 3HZ LYS 20 3HZ LYS 20 3.630 -10.101 9.400 205 H LEU 21 H LEU 21 1.911 -4.928 10.970 206 HA LEU 21 HA LEU 21 4.687 -4.498 10.159 207 1HB LEU 21 2HB LEU 21 2.422 -2.626 10.624 208 2HB LEU 21 1HB LEU 21 4.004 -2.115 10.173 209 HG LEU 21 HG LEU 21 2.923 -2.063 8.092 210 1HD1 LEU 21 1HD1 LEU 21 4.772 -3.558 7.820 211 2HD1 LEU 21 2HD1 LEU 21 3.409 -4.077 6.799 212 3HD1 LEU 21 3HD1 LEU 21 3.750 -4.911 8.303 213 1HD2 LEU 21 1HD2 LEU 21 1.148 -3.597 7.349 214 2HD2 LEU 21 2HD2 LEU 21 0.697 -2.813 8.851 215 3HD2 LEU 21 3HD2 LEU 21 1.259 -4.489 8.857 216 H THR 22 H THR 22 2.475 -2.894 12.242 217 HA THR 22 HA THR 22 2.398 -2.275 14.304 218 HB THR 22 HB THR 22 4.031 -4.640 15.126 219 HG1 THR 22 1HG THR 22 1.883 -4.491 13.481 220 1HG2 THR 22 1HG2 THR 22 2.310 -4.674 16.794 221 2HG2 THR 22 2HG2 THR 22 1.514 -3.325 15.926 222 3HG2 THR 22 3HG2 THR 22 3.099 -3.068 16.689 223 H GLY 23 H GLY 23 3.652 -0.390 13.979 224 1HA GLY 23 2HA GLY 23 5.228 0.570 15.736 225 2HA GLY 23 1HA GLY 23 6.385 -0.546 15.031 226 HA PRO 24 HA PRO 24 7.175 3.337 12.784 227 1HB PRO 24 2HB PRO 24 9.738 2.001 12.243 228 2HB PRO 24 1HB PRO 24 9.428 3.562 13.013 229 1HG PRO 24 2HG PRO 24 10.302 1.446 14.411 230 2HG PRO 24 1HG PRO 24 9.177 2.631 15.100 231 1HD PRO 24 2HD PRO 24 8.598 -0.099 13.998 232 2HD PRO 24 1HD PRO 24 7.953 0.723 15.437 233 H ILE 25 H ILE 25 6.590 3.561 10.825 234 HA ILE 25 HA ILE 25 7.323 1.577 8.822 235 HB ILE 25 HB ILE 25 5.008 1.060 9.573 236 1HG1 ILE 25 2HG1 ILE 25 3.897 1.111 7.321 237 2HG1 ILE 25 1HG1 ILE 25 5.248 2.085 6.747 238 1HG2 ILE 25 1HG2 ILE 25 4.219 3.211 10.263 239 2HG2 ILE 25 2HG2 ILE 25 3.126 2.541 9.051 240 3HG2 ILE 25 3HG2 ILE 25 4.272 3.804 8.603 241 1HD1 ILE 25 1HD1 ILE 25 6.785 0.265 7.293 242 2HD1 ILE 25 2HD1 ILE 25 5.536 -0.250 6.161 243 3HD1 ILE 25 3HD1 ILE 25 5.426 -0.704 7.861 244 H GLN 26 H GLN 26 8.151 2.536 7.036 245 HA GLN 26 HA GLN 26 7.369 5.228 6.328 246 1HB GLN 26 2HB GLN 26 9.620 6.091 6.303 247 2HB GLN 26 1HB GLN 26 9.313 5.458 7.913 248 1HG GLN 26 2HG GLN 26 10.574 3.428 7.348 249 2HG GLN 26 1HG GLN 26 10.845 4.081 5.728 250 1HE2 GLN 26 1HE2 GLN 26 13.078 4.112 5.920 251 2HE2 GLN 26 2HE2 GLN 26 13.923 5.165 6.986 252 H VAL 27 H VAL 27 8.279 5.737 4.146 253 HA VAL 27 HA VAL 27 8.176 3.347 2.555 254 HB VAL 27 HB VAL 27 7.111 5.333 1.559 255 1HG1 VAL 27 1HG1 VAL 27 8.415 7.185 0.746 256 2HG1 VAL 27 2HG1 VAL 27 9.874 6.470 1.431 257 3HG1 VAL 27 3HG1 VAL 27 8.579 7.056 2.510 258 1HG2 VAL 27 1HG2 VAL 27 9.573 4.520 0.055 259 2HG2 VAL 27 2HG2 VAL 27 8.147 5.303 -0.629 260 3HG2 VAL 27 3HG2 VAL 27 8.022 3.684 0.057 261 H ILE 28 H ILE 28 9.737 2.338 1.636 262 HA ILE 28 HA ILE 28 12.429 3.148 2.360 263 HB ILE 28 HB ILE 28 11.266 0.497 1.524 264 1HG1 ILE 28 2HG1 ILE 28 12.381 1.521 4.141 265 2HG1 ILE 28 1HG1 ILE 28 10.681 1.282 3.763 266 1HG2 ILE 28 1HG2 ILE 28 13.472 -0.468 2.029 267 2HG2 ILE 28 2HG2 ILE 28 14.124 1.157 2.279 268 3HG2 ILE 28 3HG2 ILE 28 13.554 0.666 0.681 269 1HD1 ILE 28 1HD1 ILE 28 11.535 -0.488 5.155 270 2HD1 ILE 28 2HD1 ILE 28 12.781 -0.848 3.950 271 3HD1 ILE 28 3HD1 ILE 28 11.079 -1.105 3.565 272 H HIS 29 H HIS 29 10.388 2.544 -0.414 273 HA HIS 29 HA HIS 29 12.309 3.688 -2.226 274 1HB HIS 29 2HB HIS 29 11.691 0.738 -2.444 275 2HB HIS 29 1HB HIS 29 12.228 1.681 -3.819 276 HD1 HIS 29 1HD HIS 29 13.463 -0.581 -1.396 277 HD2 HIS 29 2HD HIS 29 14.937 2.968 -2.971 278 HE1 HIS 29 1HE HIS 29 15.915 -0.580 -0.891 279 HE2 HIS 29 2HE HIS 29 16.710 1.680 -1.599 280 H LEU 30 H LEU 30 11.413 3.791 -4.421 281 HA LEU 30 HA LEU 30 8.501 3.817 -4.244 282 1HB LEU 30 2HB LEU 30 10.365 5.364 -6.067 283 2HB LEU 30 1HB LEU 30 8.632 5.293 -6.290 284 HG LEU 30 HG LEU 30 8.366 6.382 -4.045 285 1HD1 LEU 30 1HD1 LEU 30 10.518 5.848 -3.054 286 2HD1 LEU 30 2HD1 LEU 30 10.251 7.592 -3.083 287 3HD1 LEU 30 3HD1 LEU 30 11.334 6.846 -4.259 288 1HD2 LEU 30 1HD2 LEU 30 8.923 8.623 -4.855 289 2HD2 LEU 30 2HD2 LEU 30 8.157 7.638 -6.105 290 3HD2 LEU 30 3HD2 LEU 30 9.901 7.906 -6.137 291 H ALA 31 H ALA 31 7.588 2.264 -5.140 292 HA ALA 31 HA ALA 31 8.939 0.763 -7.243 293 1HB ALA 31 1HB ALA 31 8.001 -0.595 -5.394 294 2HB ALA 31 2HB ALA 31 7.345 -0.993 -6.977 295 3HB ALA 31 3HB ALA 31 6.381 -0.040 -5.861 296 H LYS 32 H LYS 32 7.928 0.105 -9.048 297 HA LYS 32 HA LYS 32 6.034 2.049 -10.094 298 1HB LYS 32 2HB LYS 32 8.154 2.014 -11.251 299 2HB LYS 32 1HB LYS 32 8.093 0.267 -11.372 300 1HG LYS 32 2HG LYS 32 6.217 0.424 -12.911 301 2HG LYS 32 1HG LYS 32 6.218 2.179 -12.742 302 1HD LYS 32 2HD LYS 32 7.340 1.477 -14.791 303 2HD LYS 32 1HD LYS 32 8.458 2.279 -13.690 304 1HE LYS 32 2HE LYS 32 9.327 0.113 -12.975 305 2HE LYS 32 1HE LYS 32 8.172 -0.711 -14.025 306 1HZ LYS 32 1HZ LYS 32 9.199 0.329 -15.921 307 2HZ LYS 32 2HZ LYS 32 10.362 -0.545 -15.058 308 3HZ LYS 32 3HZ LYS 32 10.302 1.140 -14.936 309 H ALA 33 H ALA 33 4.021 1.292 -10.418 310 HA ALA 33 HA ALA 33 3.356 -1.411 -10.067 311 1HB ALA 33 1HB ALA 33 1.207 -0.809 -11.016 312 2HB ALA 33 2HB ALA 33 1.849 0.739 -11.537 313 3HB ALA 33 3HB ALA 33 1.706 0.367 -9.809 314 H CYS 34 H CYS 34 4.088 -2.904 -11.346 315 HA CYS 34 HA CYS 34 4.884 -2.392 -14.065 316 1HB CYS 34 2HB CYS 34 6.137 -3.871 -12.498 317 2HB CYS 34 1HB CYS 34 4.785 -4.988 -12.522 318 HG CYS 34 HG CYS 34 7.184 -4.435 -14.762 319 H CYS 35 H CYS 35 2.071 -3.427 -12.447 320 HA CYS 35 HA CYS 35 0.804 -4.100 -14.962 321 1HB CYS 35 2HB CYS 35 1.705 -6.211 -14.058 322 2HB CYS 35 1HB CYS 35 0.884 -5.913 -12.538 323 HG CYS 35 HG CYS 35 -1.266 -5.917 -15.082 324 H ASP 36 H ASP 36 -1.443 -3.793 -14.837 325 HA ASP 36 HA ASP 36 -2.408 -2.292 -12.562 326 1HB ASP 36 2HB ASP 36 -3.173 -1.193 -14.256 327 2HB ASP 36 1HB ASP 36 -3.276 -2.535 -15.398 328 H VAL 37 H VAL 37 -2.983 -3.334 -11.049 329 HA VAL 37 HA VAL 37 -4.523 -5.794 -11.424 330 HB VAL 37 HB VAL 37 -2.240 -6.033 -10.327 331 1HG1 VAL 37 1HG1 VAL 37 -2.236 -4.042 -9.085 332 2HG1 VAL 37 2HG1 VAL 37 -2.065 -5.422 -7.976 333 3HG1 VAL 37 3HG1 VAL 37 -3.620 -4.584 -8.145 334 1HG2 VAL 37 1HG2 VAL 37 -4.593 -6.920 -8.671 335 2HG2 VAL 37 2HG2 VAL 37 -2.950 -7.546 -8.541 336 3HG2 VAL 37 3HG2 VAL 37 -3.871 -7.791 -10.028 337 H LYS 38 H LYS 38 -6.192 -6.119 -9.571 338 HA LYS 38 HA LYS 38 -7.068 -3.488 -8.603 339 1HB LYS 38 2HB LYS 38 -9.391 -4.223 -9.003 340 2HB LYS 38 1HB LYS 38 -8.433 -4.072 -10.467 341 1HG LYS 38 2HG LYS 38 -8.046 -6.595 -10.220 342 2HG LYS 38 1HG LYS 38 -9.401 -6.539 -9.092 343 1HD LYS 38 2HD LYS 38 -9.428 -5.455 -11.847 344 2HD LYS 38 1HD LYS 38 -10.065 -7.059 -11.446 345 1HE LYS 38 2HE LYS 38 -11.061 -4.428 -10.302 346 2HE LYS 38 1HE LYS 38 -11.867 -5.332 -11.585 347 1HZ LYS 38 1HZ LYS 38 -11.397 -6.351 -8.818 348 2HZ LYS 38 2HZ LYS 38 -12.212 -7.150 -10.074 349 3HZ LYS 38 3HZ LYS 38 -12.857 -5.753 -9.397 350 H GLY 39 H GLY 39 -5.521 -5.479 -7.260 351 1HA GLY 39 2HA GLY 39 -5.420 -6.063 -5.042 352 2HA GLY 39 1HA GLY 39 -7.088 -5.554 -4.835 353 H GLY 40 H GLY 40 -5.255 -8.016 -6.514 354 1HA GLY 40 2HA GLY 40 -7.487 -9.873 -6.289 355 2HA GLY 40 1HA GLY 40 -6.015 -10.118 -7.227 356 H LYS 41 H LYS 41 -7.656 -11.053 -4.626 357 HA LYS 41 HA LYS 41 -7.321 -12.156 -2.722 358 1HB LYS 41 2HB LYS 41 -6.208 -13.767 -4.308 359 2HB LYS 41 1HB LYS 41 -4.668 -13.021 -3.905 360 1HG LYS 41 2HG LYS 41 -5.024 -13.658 -1.539 361 2HG LYS 41 1HG LYS 41 -6.499 -14.498 -2.026 362 1HD LYS 41 2HD LYS 41 -5.134 -15.905 -3.541 363 2HD LYS 41 1HD LYS 41 -3.687 -15.106 -2.925 364 1HE LYS 41 2HE LYS 41 -5.653 -16.735 -1.322 365 2HE LYS 41 1HE LYS 41 -4.037 -17.238 -1.807 366 1HZ LYS 41 1HZ LYS 41 -3.133 -15.415 -0.397 367 2HZ LYS 41 2HZ LYS 41 -4.032 -16.555 0.434 368 3HZ LYS 41 3HZ LYS 41 -4.722 -15.061 0.119 369 H ASN 42 H ASN 42 -7.232 -10.079 -1.821 370 HA ASN 42 HA ASN 42 -6.480 -8.416 -0.532 371 1HB ASN 42 2HB ASN 42 -4.690 -10.580 0.609 372 2HB ASN 42 1HB ASN 42 -5.039 -9.037 1.380 373 1HD2 ASN 42 1HD2 ASN 42 -7.170 -8.671 2.210 374 2HD2 ASN 42 2HD2 ASN 42 -8.218 -9.996 2.521 375 H GLU 43 H GLU 43 -5.634 -7.262 -2.314 376 HA GLU 43 HA GLU 43 -2.782 -6.819 -2.006 377 1HB GLU 43 2HB GLU 43 -3.507 -8.539 -3.848 378 2HB GLU 43 1HB GLU 43 -3.994 -7.106 -4.722 379 1HG GLU 43 2HG GLU 43 -1.880 -6.439 -5.108 380 2HG GLU 43 1HG GLU 43 -1.262 -7.155 -3.610 381 H LEU 44 H LEU 44 -2.384 -4.851 -3.801 382 HA LEU 44 HA LEU 44 -4.239 -2.742 -2.967 383 1HB LEU 44 2HB LEU 44 -1.504 -2.888 -3.072 384 2HB LEU 44 1HB LEU 44 -1.855 -2.247 -4.647 385 HG LEU 44 HG LEU 44 -2.730 -0.899 -2.083 386 1HD1 LEU 44 1HD1 LEU 44 -0.384 -1.002 -2.269 387 2HD1 LEU 44 2HD1 LEU 44 -1.003 0.646 -2.537 388 3HD1 LEU 44 3HD1 LEU 44 -0.476 -0.351 -3.919 389 1HD2 LEU 44 1HD2 LEU 44 -3.050 1.059 -3.448 390 2HD2 LEU 44 2HD2 LEU 44 -4.085 -0.258 -4.015 391 3HD2 LEU 44 3HD2 LEU 44 -2.605 0.155 -4.894 392 H SER 45 H SER 45 -5.145 -1.329 -4.576 393 HA SER 45 HA SER 45 -5.223 -2.505 -7.203 394 1HB SER 45 2HB SER 45 -6.975 -0.316 -6.047 395 2HB SER 45 1HB SER 45 -7.191 -1.079 -7.620 396 HG SER 45 HG SER 45 -7.168 -2.573 -5.217 397 H PHE 46 H PHE 46 -3.914 -1.697 -8.680 398 HA PHE 46 HA PHE 46 -3.422 1.118 -8.823 399 1HB PHE 46 2HB PHE 46 -0.932 0.684 -8.996 400 2HB PHE 46 1HB PHE 46 -1.615 0.651 -7.376 401 HD1 PHE 46 1HD PHE 46 -0.217 -1.344 -10.123 402 HD2 PHE 46 2HD PHE 46 -1.571 -1.370 -6.108 403 HE1 PHE 46 1HE PHE 46 0.847 -3.530 -9.790 404 HE2 PHE 46 2HE PHE 46 -0.516 -3.551 -5.766 405 HZ PHE 46 HZ PHE 46 0.700 -4.637 -7.610 406 H LYS 47 H LYS 47 -2.306 1.654 -10.767 407 HA LYS 47 HA LYS 47 -2.912 -0.317 -12.836 408 1HB LYS 47 2HB LYS 47 -2.963 2.679 -12.900 409 2HB LYS 47 1HB LYS 47 -3.163 1.666 -14.339 410 1HG LYS 47 2HG LYS 47 -5.059 0.562 -13.118 411 2HG LYS 47 1HG LYS 47 -4.926 1.853 -11.931 412 1HD LYS 47 2HD LYS 47 -5.492 3.490 -13.562 413 2HD LYS 47 1HD LYS 47 -5.367 2.299 -14.868 414 1HE LYS 47 2HE LYS 47 -7.333 2.214 -12.592 415 2HE LYS 47 1HE LYS 47 -7.696 2.697 -14.251 416 1HZ LYS 47 1HZ LYS 47 -6.638 -0.008 -13.534 417 2HZ LYS 47 2HZ LYS 47 -7.233 0.489 -15.020 418 3HZ LYS 47 3HZ LYS 47 -8.273 0.373 -13.697 419 H GLN 48 H GLN 48 -1.490 -0.468 -14.586 420 HA GLN 48 HA GLN 48 1.234 -0.442 -13.993 421 1HB GLN 48 2HB GLN 48 -0.055 -1.607 -15.906 422 2HB GLN 48 1HB GLN 48 0.107 -0.098 -16.778 423 1HG GLN 48 2HG GLN 48 2.394 -1.819 -15.819 424 2HG GLN 48 1HG GLN 48 1.740 -1.818 -17.446 425 1HE2 GLN 48 1HE2 GLN 48 3.791 -0.219 -15.175 426 2HE2 GLN 48 2HE2 GLN 48 4.454 0.927 -16.286 427 H GLY 49 H GLY 49 2.373 1.299 -13.466 428 1HA GLY 49 2HA GLY 49 3.502 3.327 -13.963 429 2HA GLY 49 1HA GLY 49 2.231 3.722 -15.113 430 H GLU 50 H GLU 50 1.425 2.586 -11.954 431 HA GLU 50 HA GLU 50 -0.058 4.948 -11.306 432 1HB GLU 50 2HB GLU 50 -0.661 2.570 -10.745 433 2HB GLU 50 1HB GLU 50 0.608 2.605 -9.545 434 1HG GLU 50 2HG GLU 50 -1.439 2.987 -8.423 435 2HG GLU 50 1HG GLU 50 -0.550 4.509 -8.464 436 H GLN 51 H GLN 51 2.900 3.504 -10.368 437 HA GLN 51 HA GLN 51 4.657 3.961 -9.092 438 1HB GLN 51 2HB GLN 51 4.649 6.232 -10.126 439 2HB GLN 51 1HB GLN 51 3.618 6.802 -8.819 440 1HG GLN 51 2HG GLN 51 5.366 6.276 -7.204 441 2HG GLN 51 1HG GLN 51 6.400 5.699 -8.508 442 1HE2 GLN 51 1HE2 GLN 51 7.355 7.204 -9.894 443 2HE2 GLN 51 2HE2 GLN 51 7.440 8.873 -9.482 444 H ILE 52 H ILE 52 4.904 3.090 -7.265 445 HA ILE 52 HA ILE 52 2.874 3.431 -5.158 446 HB ILE 52 HB ILE 52 4.448 0.931 -5.832 447 1HG1 ILE 52 2HG1 ILE 52 1.743 1.815 -6.897 448 2HG1 ILE 52 1HG1 ILE 52 3.200 1.391 -7.757 449 1HG2 ILE 52 1HG2 ILE 52 3.547 0.989 -3.562 450 2HG2 ILE 52 2HG2 ILE 52 2.715 -0.223 -4.534 451 3HG2 ILE 52 3HG2 ILE 52 1.936 1.324 -4.199 452 1HD1 ILE 52 1HD1 ILE 52 1.521 -0.342 -7.903 453 2HD1 ILE 52 2HD1 ILE 52 1.587 -0.537 -6.152 454 3HD1 ILE 52 3HD1 ILE 52 3.008 -0.894 -7.134 455 H GLU 53 H GLU 53 3.859 3.100 -2.983 456 HA GLU 53 HA GLU 53 6.817 3.332 -2.975 457 1HB GLU 53 2HB GLU 53 5.037 4.183 -0.705 458 2HB GLU 53 1HB GLU 53 6.715 4.448 -1.011 459 1HG GLU 53 2HG GLU 53 6.334 5.977 -2.777 460 2HG GLU 53 1HG GLU 53 4.593 5.720 -2.698 461 H ILE 54 H ILE 54 7.907 1.778 -1.858 462 HA ILE 54 HA ILE 54 6.283 -0.343 -0.700 463 HB ILE 54 HB ILE 54 8.070 -1.082 -2.252 464 1HG1 ILE 54 2HG1 ILE 54 9.314 -2.677 -0.718 465 2HG1 ILE 54 1HG1 ILE 54 8.542 -1.839 0.618 466 1HG2 ILE 54 1HG2 ILE 54 9.664 0.699 -1.967 467 2HG2 ILE 54 2HG2 ILE 54 10.429 -0.869 -1.706 468 3HG2 ILE 54 3HG2 ILE 54 10.012 0.150 -0.332 469 1HD1 ILE 54 1HD1 ILE 54 6.378 -2.461 -0.227 470 2HD1 ILE 54 2HD1 ILE 54 7.408 -3.869 0.049 471 3HD1 ILE 54 3HD1 ILE 54 7.142 -3.277 -1.595 472 H ILE 55 H ILE 55 6.022 -0.551 1.392 473 HA ILE 55 HA ILE 55 7.747 1.074 3.103 474 HB ILE 55 HB ILE 55 5.877 0.889 4.848 475 1HG1 ILE 55 2HG1 ILE 55 4.622 -0.804 3.313 476 2HG1 ILE 55 1HG1 ILE 55 3.651 0.324 4.224 477 1HG2 ILE 55 1HG2 ILE 55 6.485 2.964 3.849 478 2HG2 ILE 55 2HG2 ILE 55 4.728 2.871 3.972 479 3HG2 ILE 55 3HG2 ILE 55 5.520 2.609 2.420 480 1HD1 ILE 55 1HD1 ILE 55 2.832 0.128 1.969 481 2HD1 ILE 55 2HD1 ILE 55 4.431 0.512 1.323 482 3HD1 ILE 55 3HD1 ILE 55 3.515 1.742 2.192 483 H ARG 56 H ARG 56 6.277 -2.142 2.879 484 HA ARG 56 HA ARG 56 8.360 -2.884 4.782 485 1HB ARG 56 2HB ARG 56 5.973 -2.754 5.843 486 2HB ARG 56 1HB ARG 56 5.684 -4.219 4.929 487 1HG ARG 56 2HG ARG 56 6.353 -5.123 6.893 488 2HG ARG 56 1HG ARG 56 7.901 -5.032 6.060 489 1HD ARG 56 2HD ARG 56 6.845 -3.300 8.281 490 2HD ARG 56 1HD ARG 56 8.306 -4.245 8.227 491 HE ARG 56 HE ARG 56 8.431 -2.263 6.221 492 1HH1 ARG 56 1HH1 ARG 56 8.674 -2.514 9.746 493 2HH1 ARG 56 2HH1 ARG 56 9.739 -1.196 9.885 494 1HH2 ARG 56 1HH2 ARG 56 9.742 -0.407 6.431 495 2HH2 ARG 56 2HH2 ARG 56 10.311 0.089 7.967 496 H ILE 57 H ILE 57 9.525 -4.494 4.151 497 HA ILE 57 HA ILE 57 8.474 -6.409 2.194 498 HB ILE 57 HB ILE 57 10.916 -6.748 1.506 499 1HG1 ILE 57 2HG1 ILE 57 11.862 -5.256 3.336 500 2HG1 ILE 57 1HG1 ILE 57 12.517 -5.013 1.722 501 1HG2 ILE 57 1HG2 ILE 57 9.315 -5.859 -0.014 502 2HG2 ILE 57 2HG2 ILE 57 10.833 -4.978 -0.199 503 3HG2 ILE 57 3HG2 ILE 57 9.487 -4.248 0.680 504 1HD1 ILE 57 1HD1 ILE 57 11.086 -3.064 1.436 505 2HD1 ILE 57 2HD1 ILE 57 12.102 -2.882 2.882 506 3HD1 ILE 57 3HD1 ILE 57 10.399 -3.342 3.028 507 H THR 58 H THR 58 9.376 -6.005 5.283 508 HA THR 58 HA THR 58 10.654 -8.616 5.491 509 HB THR 58 HB THR 58 11.458 -7.741 7.714 510 HG1 THR 58 1HG THR 58 10.299 -5.989 8.226 511 1HG2 THR 58 1HG2 THR 58 12.290 -6.214 5.236 512 2HG2 THR 58 2HG2 THR 58 12.905 -7.789 5.722 513 3HG2 THR 58 3HG2 THR 58 13.251 -6.363 6.708 514 H ASP 59 H ASP 59 9.927 -10.053 7.022 515 HA ASP 59 HA ASP 59 8.548 -11.182 8.338 516 1HB ASP 59 2HB ASP 59 8.831 -9.192 9.896 517 2HB ASP 59 1HB ASP 59 7.327 -8.536 9.254 518 H ASN 60 H ASN 60 7.984 -10.542 5.716 519 HA ASN 60 HA ASN 60 5.186 -10.099 5.399 520 1HB ASN 60 2HB ASN 60 5.649 -10.426 2.986 521 2HB ASN 60 1HB ASN 60 6.674 -9.217 3.727 522 1HD2 ASN 60 1HD2 ASN 60 7.102 -10.552 1.291 523 2HD2 ASN 60 2HD2 ASN 60 8.551 -11.490 1.406 524 HA PRO 61 HA PRO 61 4.126 -14.322 6.329 525 1HB PRO 61 2HB PRO 61 1.476 -13.458 5.342 526 2HB PRO 61 1HB PRO 61 1.928 -14.133 6.910 527 1HG PRO 61 2HG PRO 61 1.317 -11.550 6.653 528 2HG PRO 61 1HG PRO 61 2.606 -12.085 7.746 529 1HD PRO 61 2HD PRO 61 2.811 -10.871 5.017 530 2HD PRO 61 1HD PRO 61 3.789 -10.557 6.467 531 H GLU 62 H GLU 62 2.347 -13.046 3.477 532 HA GLU 62 HA GLU 62 2.355 -15.646 2.259 533 1HB GLU 62 2HB GLU 62 0.392 -14.192 2.054 534 2HB GLU 62 1HB GLU 62 1.349 -12.956 1.267 535 1HG GLU 62 2HG GLU 62 1.475 -14.178 -0.733 536 2HG GLU 62 1HG GLU 62 0.988 -15.677 0.046 537 H GLY 63 H GLY 63 4.596 -13.273 2.431 538 1HA GLY 63 2HA GLY 63 6.738 -13.326 1.450 539 2HA GLY 63 1HA GLY 63 6.113 -14.417 0.214 540 H LYS 64 H LYS 64 4.059 -11.947 0.715 541 HA LYS 64 HA LYS 64 4.882 -10.627 -1.714 542 1HB LYS 64 2HB LYS 64 2.647 -9.865 -1.846 543 2HB LYS 64 1HB LYS 64 2.574 -11.568 -1.420 544 1HG LYS 64 2HG LYS 64 2.248 -10.719 0.983 545 2HG LYS 64 1HG LYS 64 1.965 -9.150 0.239 546 1HD LYS 64 2HD LYS 64 0.361 -11.676 -0.151 547 2HD LYS 64 1HD LYS 64 -0.191 -10.118 0.463 548 1HE LYS 64 2HE LYS 64 0.238 -9.128 -1.764 549 2HE LYS 64 1HE LYS 64 0.733 -10.714 -2.342 550 1HZ LYS 64 1HZ LYS 64 -1.984 -9.956 -1.406 551 2HZ LYS 64 2HZ LYS 64 -1.487 -11.518 -1.897 552 3HZ LYS 64 3HZ LYS 64 -1.466 -10.220 -2.997 553 H TRP 65 H TRP 65 4.513 -8.195 -1.634 554 HA TRP 65 HA TRP 65 5.979 -7.194 0.723 555 1HB TRP 65 2HB TRP 65 5.721 -6.182 -2.095 556 2HB TRP 65 1HB TRP 65 6.449 -5.214 -0.833 557 HD1 TRP 65 HD TRP 65 7.839 -8.157 0.296 558 HE1 TRP 65 1HE TRP 65 10.030 -8.840 -0.846 559 HE3 TRP 65 3HE TRP 65 7.501 -5.259 -3.937 560 HZ2 TRP 65 2HZ TRP 65 11.435 -8.237 -3.221 561 HZ3 TRP 65 3HZ TRP 65 9.314 -5.383 -5.572 562 HH2 TRP 65 HH TRP 65 11.243 -6.835 -5.225 563 H LEU 66 H LEU 66 5.468 -4.745 1.112 564 HA LEU 66 HA LEU 66 2.546 -4.382 0.962 565 1HB LEU 66 2HB LEU 66 3.320 -4.761 3.274 566 2HB LEU 66 1HB LEU 66 4.444 -3.425 3.112 567 HG LEU 66 HG LEU 66 2.529 -1.881 2.828 568 1HD1 LEU 66 1HD1 LEU 66 0.308 -2.614 3.448 569 2HD1 LEU 66 2HD1 LEU 66 0.883 -4.281 3.559 570 3HD1 LEU 66 3HD1 LEU 66 0.884 -3.442 1.998 571 1HD2 LEU 66 1HD2 LEU 66 2.512 -3.519 5.348 572 2HD2 LEU 66 2HD2 LEU 66 1.851 -1.893 5.164 573 3HD2 LEU 66 3HD2 LEU 66 3.585 -2.165 4.990 574 H GLY 67 H GLY 67 2.068 -2.815 -0.439 575 1HA GLY 67 2HA GLY 67 3.931 -0.555 -0.633 576 2HA GLY 67 1HA GLY 67 3.077 -1.225 -2.020 577 H ARG 68 H ARG 68 2.928 1.465 -1.204 578 HA ARG 68 HA ARG 68 0.030 1.611 -0.723 579 1HB ARG 68 2HB ARG 68 1.116 2.218 1.344 580 2HB ARG 68 1HB ARG 68 2.088 3.476 0.554 581 1HG ARG 68 2HG ARG 68 -0.235 4.470 -0.048 582 2HG ARG 68 1HG ARG 68 -0.884 3.412 1.190 583 1HD ARG 68 2HD ARG 68 -0.519 5.479 2.209 584 2HD ARG 68 1HD ARG 68 0.785 4.432 2.763 585 HE ARG 68 HE ARG 68 1.804 5.680 0.573 586 1HH1 ARG 68 1HH1 ARG 68 0.259 6.890 3.526 587 2HH1 ARG 68 2HH1 ARG 68 1.255 8.277 3.645 588 1HH2 ARG 68 1HH2 ARG 68 3.186 7.556 0.748 589 2HH2 ARG 68 2HH2 ARG 68 2.940 8.682 2.001 590 H THR 69 H THR 69 -0.943 3.305 -1.652 591 HA THR 69 HA THR 69 0.593 4.776 -3.717 592 HB THR 69 HB THR 69 -2.402 4.383 -3.839 593 HG1 THR 69 1HG THR 69 -0.393 2.524 -4.177 594 1HG2 THR 69 1HG2 THR 69 -0.251 4.659 -5.951 595 2HG2 THR 69 2HG2 THR 69 -1.303 5.960 -5.390 596 3HG2 THR 69 3HG2 THR 69 -1.990 4.581 -6.249 597 H ALA 70 H ALA 70 -0.439 6.946 -4.198 598 HA ALA 70 HA ALA 70 0.155 8.585 -2.105 599 1HB ALA 70 1HB ALA 70 -0.641 10.394 -3.448 600 2HB ALA 70 2HB ALA 70 -1.581 9.284 -4.446 601 3HB ALA 70 3HB ALA 70 0.182 9.208 -4.461 602 H ARG 71 H ARG 71 -3.015 7.294 -2.825 603 HA ARG 71 HA ARG 71 -4.103 9.276 -0.976 604 1HB ARG 71 2HB ARG 71 -6.329 8.806 -1.716 605 2HB ARG 71 1HB ARG 71 -5.301 8.775 -3.134 606 1HG ARG 71 2HG ARG 71 -6.737 7.007 -3.500 607 2HG ARG 71 1HG ARG 71 -5.325 6.207 -2.810 608 1HD ARG 71 2HD ARG 71 -6.434 6.242 -0.597 609 2HD ARG 71 1HD ARG 71 -7.854 6.969 -1.344 610 HE ARG 71 HE ARG 71 -7.142 4.559 -2.637 611 1HH1 ARG 71 1HH1 ARG 71 -8.844 5.849 0.173 612 2HH1 ARG 71 2HH1 ARG 71 -9.672 4.392 0.530 613 1HH2 ARG 71 1HH2 ARG 71 -8.255 2.541 -2.132 614 2HH2 ARG 71 2HH2 ARG 71 -9.318 2.454 -0.803 615 H GLY 72 H GLY 72 -2.764 6.357 -0.720 616 1HA GLY 72 2HA GLY 72 -2.313 5.280 1.250 617 2HA GLY 72 1HA GLY 72 -3.668 6.029 2.049 618 H SER 73 H SER 73 -2.479 3.300 0.430 619 HA SER 73 HA SER 73 -4.744 1.786 0.930 620 1HB SER 73 2HB SER 73 -3.537 1.953 -1.807 621 2HB SER 73 1HB SER 73 -4.887 0.946 -1.340 622 HG SER 73 HG SER 73 -5.740 3.245 -0.701 623 H TYR 74 H TYR 74 -3.781 0.091 1.577 624 HA TYR 74 HA TYR 74 -0.891 -0.182 1.120 625 1HB TYR 74 2HB TYR 74 -2.613 -0.461 3.344 626 2HB TYR 74 1HB TYR 74 -1.203 -1.537 3.401 627 HD1 TYR 74 1HD TYR 74 -2.521 1.857 3.872 628 HD2 TYR 74 2HD TYR 74 1.050 -0.427 3.642 629 HE1 TYR 74 1HE TYR 74 -1.273 3.700 4.928 630 HE2 TYR 74 2HE TYR 74 2.304 1.396 4.682 631 HH TYR 74 HH TYR 74 2.087 3.873 4.950 632 H GLY 75 H GLY 75 -1.465 -1.388 -0.650 633 1HA GLY 75 2HA GLY 75 -2.828 -3.812 -0.002 634 2HA GLY 75 1HA GLY 75 -2.504 -3.187 -1.619 635 H TYR 76 H TYR 76 -1.432 -4.778 0.983 636 HA TYR 76 HA TYR 76 1.169 -5.434 0.384 637 1HB TYR 76 2HB TYR 76 0.006 -7.951 0.981 638 2HB TYR 76 1HB TYR 76 0.793 -6.867 2.123 639 HD1 TYR 76 1HD TYR 76 -2.421 -7.890 0.702 640 HD2 TYR 76 2HD TYR 76 -0.522 -5.601 3.733 641 HE1 TYR 76 1HE TYR 76 -4.588 -7.568 1.809 642 HE2 TYR 76 2HE TYR 76 -2.670 -5.276 4.836 643 HH TYR 76 HH TYR 76 -5.117 -5.282 4.173 644 H ILE 77 H ILE 77 1.815 -5.537 -1.540 645 HA ILE 77 HA ILE 77 0.463 -6.484 -3.827 646 HB ILE 77 HB ILE 77 2.826 -6.155 -4.677 647 1HG1 ILE 77 2HG1 ILE 77 2.925 -4.609 -2.091 648 2HG1 ILE 77 1HG1 ILE 77 3.988 -5.900 -2.628 649 1HG2 ILE 77 1HG2 ILE 77 0.884 -4.790 -5.261 650 2HG2 ILE 77 2HG2 ILE 77 2.286 -3.736 -4.989 651 3HG2 ILE 77 3HG2 ILE 77 1.039 -3.894 -3.740 652 1HD1 ILE 77 1HD1 ILE 77 5.063 -3.744 -2.754 653 2HD1 ILE 77 2HD1 ILE 77 3.776 -3.163 -3.825 654 3HD1 ILE 77 3HD1 ILE 77 4.858 -4.451 -4.361 655 H LYS 78 H LYS 78 0.912 -8.233 -4.971 656 HA LYS 78 HA LYS 78 2.886 -9.939 -3.889 657 1HB LYS 78 2HB LYS 78 2.307 -11.516 -5.607 658 2HB LYS 78 1HB LYS 78 0.797 -10.862 -5.010 659 1HG LYS 78 2HG LYS 78 0.637 -9.430 -6.943 660 2HG LYS 78 1HG LYS 78 2.255 -10.017 -7.405 661 1HD LYS 78 2HD LYS 78 0.769 -11.311 -8.751 662 2HD LYS 78 1HD LYS 78 1.204 -12.361 -7.412 663 1HE LYS 78 2HE LYS 78 -1.373 -10.821 -7.762 664 2HE LYS 78 1HE LYS 78 -1.160 -12.553 -7.917 665 1HZ LYS 78 1HZ LYS 78 -0.599 -12.518 -5.435 666 2HZ LYS 78 2HZ LYS 78 -2.155 -12.175 -5.899 667 3HZ LYS 78 3HZ LYS 78 -1.144 -10.898 -5.450 668 H THR 79 H THR 79 4.577 -9.510 -4.223 669 HA THR 79 HA THR 79 6.223 -7.623 -5.084 670 HB THR 79 HB THR 79 8.080 -9.210 -5.191 671 HG1 THR 79 1HG THR 79 7.766 -11.217 -5.702 672 1HG2 THR 79 1HG2 THR 79 5.962 -10.071 -3.218 673 2HG2 THR 79 2HG2 THR 79 7.078 -8.722 -2.997 674 3HG2 THR 79 3HG2 THR 79 7.692 -10.376 -3.076 675 H THR 80 H THR 80 5.195 -10.194 -7.192 676 HA THR 80 HA THR 80 6.760 -9.529 -9.448 677 HB THR 80 HB THR 80 6.005 -11.783 -9.076 678 HG1 THR 80 1HG THR 80 6.243 -11.451 -11.185 679 1HG2 THR 80 1HG2 THR 80 3.191 -10.734 -9.358 680 2HG2 THR 80 2HG2 THR 80 3.954 -11.301 -7.884 681 3HG2 THR 80 3HG2 THR 80 3.632 -12.436 -9.193 682 H ALA 81 H ALA 81 3.962 -7.941 -8.185 683 HA ALA 81 HA ALA 81 3.052 -7.093 -10.801 684 1HB ALA 81 1HB ALA 81 1.381 -7.719 -9.121 685 2HB ALA 81 2HB ALA 81 1.226 -6.023 -9.586 686 3HB ALA 81 3HB ALA 81 1.983 -6.453 -8.053 687 H VAL 82 H VAL 82 5.347 -6.138 -8.540 688 HA VAL 82 HA VAL 82 5.310 -3.454 -9.707 689 HB VAL 82 HB VAL 82 6.271 -2.514 -7.621 690 1HG1 VAL 82 1HG1 VAL 82 3.945 -2.164 -8.131 691 2HG1 VAL 82 2HG1 VAL 82 4.175 -2.334 -6.406 692 3HG1 VAL 82 3HG1 VAL 82 3.497 -3.673 -7.335 693 1HG2 VAL 82 1HG2 VAL 82 5.959 -3.734 -5.512 694 2HG2 VAL 82 2HG2 VAL 82 7.088 -4.557 -6.595 695 3HG2 VAL 82 3HG2 VAL 82 5.436 -5.151 -6.421 696 H GLU 83 H GLU 83 7.203 -2.463 -9.963 697 HA GLU 83 HA GLU 83 9.625 -4.084 -9.651 698 1HB GLU 83 2HB GLU 83 8.926 -1.967 -11.654 699 2HB GLU 83 1HB GLU 83 10.506 -2.746 -11.560 700 1HG GLU 83 2HG GLU 83 9.402 -4.919 -12.045 701 2HG GLU 83 1HG GLU 83 7.885 -4.061 -12.271 702 H ILE 84 H ILE 84 10.525 -3.258 -7.838 703 HA ILE 84 HA ILE 84 10.002 -0.545 -7.089 704 HB ILE 84 HB ILE 84 11.466 -0.766 -5.222 705 1HG1 ILE 84 2HG1 ILE 84 12.312 -3.519 -6.038 706 2HG1 ILE 84 1HG1 ILE 84 13.193 -2.112 -6.633 707 1HG2 ILE 84 1HG2 ILE 84 9.915 -3.309 -5.631 708 2HG2 ILE 84 2HG2 ILE 84 9.306 -1.795 -4.961 709 3HG2 ILE 84 3HG2 ILE 84 10.526 -2.721 -4.083 710 1HD1 ILE 84 1HD1 ILE 84 13.583 -1.394 -4.375 711 2HD1 ILE 84 2HD1 ILE 84 14.232 -3.012 -4.648 712 3HD1 ILE 84 3HD1 ILE 84 12.707 -2.789 -3.753 713 H ASP 85 H ASP 85 11.546 1.067 -6.722 714 HA ASP 85 HA ASP 85 13.601 1.082 -8.791 715 1HB ASP 85 2HB ASP 85 12.084 3.066 -8.576 716 2HB ASP 85 1HB ASP 85 12.727 3.341 -6.960 717 H TYR 86 H TYR 86 15.249 0.079 -8.163 718 HA TYR 86 HA TYR 86 15.895 -0.752 -5.618 719 1HB TYR 86 2HB TYR 86 17.776 -0.452 -7.961 720 2HB TYR 86 1HB TYR 86 18.009 -1.508 -6.566 721 HD1 TYR 86 1HD TYR 86 16.479 -1.158 -9.803 722 HD2 TYR 86 2HD TYR 86 16.346 -3.385 -6.181 723 HE1 TYR 86 1HE TYR 86 15.171 -2.904 -10.933 724 HE2 TYR 86 2HE TYR 86 15.044 -5.142 -7.302 725 HH TYR 86 HH TYR 86 14.717 -5.266 -10.674 726 H ASP 87 H ASP 87 17.275 1.941 -7.391 727 HA ASP 87 HA ASP 87 18.236 2.982 -4.817 728 1HB ASP 87 2HB ASP 87 19.367 3.342 -7.599 729 2HB ASP 87 1HB ASP 87 19.733 4.471 -6.306 730 H SER 88 H SER 88 16.345 3.991 -4.293 731 HA SER 88 HA SER 88 14.935 5.588 -6.212 732 1HB SER 88 2HB SER 88 14.579 5.355 -3.208 733 2HB SER 88 1HB SER 88 13.456 6.151 -4.313 734 HG SER 88 HG SER 88 14.016 3.691 -5.203 735 H LEU 89 H LEU 89 15.870 7.303 -6.916 736 HA LEU 89 HA LEU 89 16.720 9.337 -7.092 737 1HB LEU 89 2HB LEU 89 15.517 10.129 -5.115 738 2HB LEU 89 1HB LEU 89 16.732 9.436 -4.062 739 HG LEU 89 HG LEU 89 18.385 11.048 -4.940 740 1HD1 LEU 89 1HD1 LEU 89 17.635 12.943 -6.277 741 2HD1 LEU 89 2HD1 LEU 89 16.033 12.220 -6.406 742 3HD1 LEU 89 3HD1 LEU 89 17.423 11.418 -7.138 743 1HD2 LEU 89 1HD2 LEU 89 17.465 13.020 -3.827 744 2HD2 LEU 89 2HD2 LEU 89 17.151 11.547 -2.908 745 3HD2 LEU 89 3HD2 LEU 89 15.862 12.287 -3.855 746 H LYS 90 H LYS 90 18.202 7.203 -4.815 747 HA LYS 90 HA LYS 90 20.251 6.393 -4.561 748 1HB LYS 90 2HB LYS 90 20.418 6.025 -6.961 749 2HB LYS 90 1HB LYS 90 20.814 7.713 -7.236 750 1HG LYS 90 2HG LYS 90 22.924 7.369 -5.994 751 2HG LYS 90 1HG LYS 90 22.521 5.656 -5.859 752 1HD LYS 90 2HD LYS 90 22.632 5.356 -8.205 753 2HD LYS 90 1HD LYS 90 22.698 7.099 -8.491 754 1HE LYS 90 2HE LYS 90 24.810 5.422 -7.129 755 2HE LYS 90 1HE LYS 90 24.905 6.105 -8.754 756 1HZ LYS 90 1HZ LYS 90 24.676 8.333 -7.707 757 2HZ LYS 90 2HZ LYS 90 26.108 7.547 -7.256 758 3HZ LYS 90 3HZ LYS 90 24.817 7.619 -6.190 759 H LEU 91 H LEU 91 20.324 7.624 -2.758 760 HA LEU 91 HA LEU 91 22.281 9.780 -2.894 761 1HB LEU 91 2HB LEU 91 21.048 11.188 -1.371 762 2HB LEU 91 1HB LEU 91 20.052 10.843 -2.760 763 HG LEU 91 HG LEU 91 19.725 9.507 -0.055 764 1HD1 LEU 91 1HD1 LEU 91 19.294 11.885 0.097 765 2HD1 LEU 91 2HD1 LEU 91 17.793 10.971 0.230 766 3HD1 LEU 91 3HD1 LEU 91 18.197 11.795 -1.278 767 1HD2 LEU 91 1HD2 LEU 91 17.881 9.594 -2.452 768 2HD2 LEU 91 2HD2 LEU 91 17.526 8.831 -0.903 769 3HD2 LEU 91 3HD2 LEU 91 18.812 8.192 -1.926 770 H LYS 92 H LYS 92 23.403 10.120 -0.952 771 HA LYS 92 HA LYS 92 22.972 8.483 1.299 772 1HB LYS 92 2HB LYS 92 25.307 7.472 1.286 773 2HB LYS 92 1HB LYS 92 24.173 6.764 0.155 774 1HG LYS 92 2HG LYS 92 25.233 7.919 -1.690 775 2HG LYS 92 1HG LYS 92 26.290 8.790 -0.578 776 1HD LYS 92 2HD LYS 92 27.463 6.906 -1.623 777 2HD LYS 92 1HD LYS 92 27.312 6.682 0.118 778 1HE LYS 92 2HE LYS 92 25.345 5.215 -0.295 779 2HE LYS 92 1HE LYS 92 25.634 5.373 -2.026 780 1HZ LYS 92 1HZ LYS 92 26.618 3.315 -1.101 781 2HZ LYS 92 2HZ LYS 92 27.552 4.244 -0.059 782 3HZ LYS 92 3HZ LYS 92 27.826 4.323 -1.705 783 H LYS 93 H LYS 93 22.816 10.202 2.467 784 HA LYS 93 HA LYS 93 23.448 11.775 3.922 785 1HB LYS 93 2HB LYS 93 26.254 11.421 2.823 786 2HB LYS 93 1HB LYS 93 25.839 12.456 4.185 787 1HG LYS 93 2HG LYS 93 25.127 10.561 5.471 788 2HG LYS 93 1HG LYS 93 25.353 9.491 4.089 789 1HD LYS 93 2HD LYS 93 27.760 10.007 4.123 790 2HD LYS 93 1HD LYS 93 27.502 11.021 5.549 791 1HE LYS 93 2HE LYS 93 26.676 9.121 6.787 792 2HE LYS 93 1HE LYS 93 26.824 8.096 5.366 793 1HZ LYS 93 1HZ LYS 93 29.199 8.408 5.427 794 2HZ LYS 93 2HZ LYS 93 28.628 7.778 6.897 795 3HZ LYS 93 3HZ LYS 93 29.074 9.408 6.795 796 H ASP 94 H ASP 94 24.470 14.092 3.892 797 HA ASP 94 HA ASP 94 23.750 15.267 1.286 798 1HB ASP 94 2HB ASP 94 23.423 16.392 4.077 799 2HB ASP 94 1HB ASP 94 23.214 17.347 2.615 800 H LEU 95 H LEU 95 26.259 14.271 2.081 801 HA LEU 95 HA LEU 95 28.069 16.302 2.894 802 1HB LEU 95 2HB LEU 95 28.376 13.834 3.110 803 2HB LEU 95 1HB LEU 95 28.578 13.751 1.373 804 HG LEU 95 HG LEU 95 30.580 15.217 1.604 805 1HD1 LEU 95 1HD1 LEU 95 29.973 16.273 3.701 806 2HD1 LEU 95 2HD1 LEU 95 31.541 15.477 3.831 807 3HD1 LEU 95 3HD1 LEU 95 30.110 14.727 4.534 808 1HD2 LEU 95 1HD2 LEU 95 30.788 12.789 1.420 809 2HD2 LEU 95 2HD2 LEU 95 30.609 12.635 3.168 810 3HD2 LEU 95 3HD2 LEU 95 32.020 13.449 2.493 811 H GLU 96 H GLU 96 26.798 15.166 -0.117 812 HA GLU 96 HA GLU 96 28.576 16.881 -1.683 813 1HB GLU 96 2HB GLU 96 26.704 14.664 -2.520 814 2HB GLU 96 1HB GLU 96 27.780 15.556 -3.589 815 1HG GLU 96 2HG GLU 96 29.710 14.655 -2.502 816 2HG GLU 96 1HG GLU 96 28.709 13.896 -1.263 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 -8.292 17.477 26.345 2 2H GLU 1 2HT GLU 1 -8.993 18.952 25.998 3 3H GLU 1 3HT GLU 1 -7.440 18.597 25.416 4 HA GLU 1 HA GLU 1 -9.151 18.503 23.751 5 1HB GLU 1 2HB GLU 1 -8.530 16.174 22.881 6 2HB GLU 1 1HB GLU 1 -7.222 17.296 23.185 7 1HG GLU 1 2HG GLU 1 -6.529 15.142 23.918 8 2HG GLU 1 1HG GLU 1 -6.809 16.124 25.347 9 H LYS 2 H LYS 2 -10.618 16.787 22.680 10 HA LYS 2 HA LYS 2 -12.572 15.963 24.693 11 1HB LYS 2 2HB LYS 2 -13.271 17.962 23.389 12 2HB LYS 2 1HB LYS 2 -13.078 17.037 21.908 13 1HG LYS 2 2HG LYS 2 -14.858 15.575 22.513 14 2HG LYS 2 1HG LYS 2 -14.975 16.306 24.114 15 1HD LYS 2 2HD LYS 2 -15.591 18.444 23.066 16 2HD LYS 2 1HD LYS 2 -15.526 17.669 21.480 17 1HE LYS 2 2HE LYS 2 -17.824 17.848 22.404 18 2HE LYS 2 1HE LYS 2 -17.321 16.193 22.064 19 1HZ LYS 2 1HZ LYS 2 -18.472 16.582 24.265 20 2HZ LYS 2 2HZ LYS 2 -17.057 17.373 24.771 21 3HZ LYS 2 3HZ LYS 2 -17.010 15.754 24.330 22 H LYS 3 H LYS 3 -12.737 13.837 24.730 23 HA LYS 3 HA LYS 3 -11.547 12.347 22.545 24 1HB LYS 3 2HB LYS 3 -10.753 11.914 24.813 25 2HB LYS 3 1HB LYS 3 -12.376 11.442 25.297 26 1HG LYS 3 2HG LYS 3 -12.251 9.626 23.554 27 2HG LYS 3 1HG LYS 3 -10.550 10.035 23.360 28 1HD LYS 3 2HD LYS 3 -10.788 8.151 24.871 29 2HD LYS 3 1HD LYS 3 -10.196 9.559 25.759 30 1HE LYS 3 2HE LYS 3 -12.446 10.008 26.575 31 2HE LYS 3 1HE LYS 3 -13.067 8.641 25.657 32 1HZ LYS 3 1HZ LYS 3 -11.064 8.451 27.838 33 2HZ LYS 3 2HZ LYS 3 -11.786 7.141 27.050 34 3HZ LYS 3 3HZ LYS 3 -12.708 8.168 28.018 35 H GLU 4 H GLU 4 -12.794 11.642 21.048 36 HA GLU 4 HA GLU 4 -14.999 9.931 21.812 37 1HB GLU 4 2HB GLU 4 -15.990 12.093 20.918 38 2HB GLU 4 1HB GLU 4 -15.140 11.789 19.408 39 1HG GLU 4 2HG GLU 4 -17.491 11.151 19.263 40 2HG GLU 4 1HG GLU 4 -16.433 9.752 19.073 41 H GLN 5 H GLN 5 -13.250 8.554 21.705 42 HA GLN 5 HA GLN 5 -11.925 6.948 20.856 43 1HB GLN 5 2HB GLN 5 -13.368 7.492 18.247 44 2HB GLN 5 1HB GLN 5 -12.298 6.129 18.536 45 1HG GLN 5 2HG GLN 5 -14.829 6.658 20.076 46 2HG GLN 5 1HG GLN 5 -14.729 5.611 18.665 47 1HE2 GLN 5 1HE2 GLN 5 -15.398 3.872 19.827 48 2HE2 GLN 5 2HE2 GLN 5 -14.430 3.024 20.971 49 H LYS 6 H LYS 6 -10.081 6.542 19.282 50 HA LYS 6 HA LYS 6 -8.996 9.130 18.534 51 1HB LYS 6 2HB LYS 6 -7.585 6.672 19.492 52 2HB LYS 6 1HB LYS 6 -6.741 7.808 18.456 53 1HG LYS 6 2HG LYS 6 -6.199 8.327 20.709 54 2HG LYS 6 1HG LYS 6 -7.247 9.598 20.097 55 1HD LYS 6 2HD LYS 6 -9.155 8.424 21.240 56 2HD LYS 6 1HD LYS 6 -7.958 7.358 21.980 57 1HE LYS 6 2HE LYS 6 -8.114 10.359 22.266 58 2HE LYS 6 1HE LYS 6 -8.515 9.169 23.500 59 1HZ LYS 6 1HZ LYS 6 -6.207 8.473 23.543 60 2HZ LYS 6 2HZ LYS 6 -6.307 10.150 23.808 61 3HZ LYS 6 3HZ LYS 6 -5.816 9.566 22.317 62 H GLU 7 H GLU 7 -9.878 9.349 16.677 63 HA GLU 7 HA GLU 7 -9.073 7.475 14.592 64 1HB GLU 7 2HB GLU 7 -11.280 9.560 14.576 65 2HB GLU 7 1HB GLU 7 -10.911 8.453 13.257 66 1HG GLU 7 2HG GLU 7 -11.453 6.551 14.719 67 2HG GLU 7 1HG GLU 7 -11.873 7.673 16.006 68 H LYS 8 H LYS 8 -7.307 8.101 13.668 69 HA LYS 8 HA LYS 8 -6.776 10.946 13.193 70 1HB LYS 8 2HB LYS 8 -4.830 8.930 14.321 71 2HB LYS 8 1HB LYS 8 -4.411 10.550 13.791 72 1HG LYS 8 2HG LYS 8 -5.717 11.520 15.554 73 2HG LYS 8 1HG LYS 8 -6.338 9.933 16.015 74 1HD LYS 8 2HD LYS 8 -4.114 9.210 16.635 75 2HD LYS 8 1HD LYS 8 -3.438 10.744 16.084 76 1HE LYS 8 2HE LYS 8 -5.460 10.455 18.299 77 2HE LYS 8 1HE LYS 8 -3.721 10.592 18.546 78 1HZ LYS 8 1HZ LYS 8 -4.789 12.744 18.794 79 2HZ LYS 8 2HZ LYS 8 -5.482 12.628 17.281 80 3HZ LYS 8 3HZ LYS 8 -3.785 12.733 17.439 81 H GLU 9 H GLU 9 -7.257 10.680 11.037 82 HA GLU 9 HA GLU 9 -6.662 10.610 8.873 83 1HB GLU 9 2HB GLU 9 -4.353 10.986 9.498 84 2HB GLU 9 1HB GLU 9 -4.139 9.277 9.842 85 1HG GLU 9 2HG GLU 9 -4.628 8.824 7.440 86 2HG GLU 9 1HG GLU 9 -4.583 10.570 7.176 87 H LYS 10 H LYS 10 -5.589 7.594 10.327 88 HA LYS 10 HA LYS 10 -6.126 5.462 10.075 89 1HB LYS 10 2HB LYS 10 -8.483 6.097 10.066 90 2HB LYS 10 1HB LYS 10 -8.410 6.436 8.349 91 1HG LYS 10 2HG LYS 10 -7.991 4.067 7.907 92 2HG LYS 10 1HG LYS 10 -8.078 3.740 9.642 93 1HD LYS 10 2HD LYS 10 -10.366 4.599 9.685 94 2HD LYS 10 1HD LYS 10 -10.277 4.915 7.953 95 1HE LYS 10 2HE LYS 10 -9.945 2.525 7.543 96 2HE LYS 10 1HE LYS 10 -10.045 2.223 9.278 97 1HZ LYS 10 1HZ LYS 10 -12.146 1.797 8.174 98 2HZ LYS 10 2HZ LYS 10 -12.202 3.393 7.617 99 3HZ LYS 10 3HZ LYS 10 -12.268 3.063 9.284 100 H LYS 11 H LYS 11 -4.473 4.586 9.169 101 HA LYS 11 HA LYS 11 -4.064 4.708 6.256 102 1HB LYS 11 2HB LYS 11 -2.339 3.616 8.507 103 2HB LYS 11 1HB LYS 11 -1.929 3.488 6.811 104 1HG LYS 11 2HG LYS 11 -1.709 5.894 6.656 105 2HG LYS 11 1HG LYS 11 -2.232 6.063 8.336 106 1HD LYS 11 2HD LYS 11 -0.296 4.871 9.123 107 2HD LYS 11 1HD LYS 11 0.185 4.475 7.476 108 1HE LYS 11 2HE LYS 11 1.552 6.281 8.385 109 2HE LYS 11 1HE LYS 11 0.589 6.843 7.025 110 1HZ LYS 11 1HZ LYS 11 0.599 8.436 8.832 111 2HZ LYS 11 2HZ LYS 11 -0.110 7.326 9.898 112 3HZ LYS 11 3HZ LYS 11 -0.930 7.869 8.527 113 H GLU 12 H GLU 12 -5.990 3.227 8.092 114 HA GLU 12 HA GLU 12 -7.302 1.440 7.976 115 1HB GLU 12 2HB GLU 12 -5.380 0.287 5.940 116 2HB GLU 12 1HB GLU 12 -6.897 -0.462 6.425 117 1HG GLU 12 2HG GLU 12 -6.557 2.179 5.019 118 2HG GLU 12 1HG GLU 12 -7.177 0.681 4.323 119 H GLN 13 H GLN 13 -7.560 -0.358 9.169 120 HA GLN 13 HA GLN 13 -5.326 -0.807 10.976 121 1HB GLN 13 2HB GLN 13 -8.189 -1.711 11.148 122 2HB GLN 13 1HB GLN 13 -6.976 -1.942 12.397 123 1HG GLN 13 2HG GLN 13 -8.016 0.691 11.398 124 2HG GLN 13 1HG GLN 13 -8.445 -0.094 12.918 125 1HE2 GLN 13 1HE2 GLN 13 -6.919 -0.221 14.522 126 2HE2 GLN 13 2HE2 GLN 13 -5.535 0.820 14.577 127 H GLU 14 H GLU 14 -7.216 -2.402 8.707 128 HA GLU 14 HA GLU 14 -6.674 -5.090 9.273 129 1HB GLU 14 2HB GLU 14 -7.334 -3.740 6.674 130 2HB GLU 14 1HB GLU 14 -7.166 -5.484 6.831 131 1HG GLU 14 2HG GLU 14 -9.121 -3.768 8.334 132 2HG GLU 14 1HG GLU 14 -9.489 -4.781 6.931 133 H ILE 15 H ILE 15 -4.782 -2.708 7.608 134 HA ILE 15 HA ILE 15 -3.196 -4.592 6.188 135 HB ILE 15 HB ILE 15 -1.896 -2.668 5.441 136 1HG1 ILE 15 2HG1 ILE 15 -3.027 -0.331 6.372 137 2HG1 ILE 15 1HG1 ILE 15 -3.140 -1.349 7.780 138 1HG2 ILE 15 1HG2 ILE 15 -3.997 -3.089 4.341 139 2HG2 ILE 15 2HG2 ILE 15 -3.676 -1.354 4.390 140 3HG2 ILE 15 3HG2 ILE 15 -4.842 -2.072 5.505 141 1HD1 ILE 15 1HD1 ILE 15 -0.753 -1.734 7.785 142 2HD1 ILE 15 2HD1 ILE 15 -1.109 -0.009 7.829 143 3HD1 ILE 15 3HD1 ILE 15 -0.575 -0.762 6.325 144 H LYS 16 H LYS 16 -3.194 -3.140 9.213 145 HA LYS 16 HA LYS 16 -0.470 -3.083 9.717 146 1HB LYS 16 2HB LYS 16 -2.715 -3.062 11.719 147 2HB LYS 16 1HB LYS 16 -1.064 -2.524 12.004 148 1HG LYS 16 2HG LYS 16 -1.360 -0.787 10.286 149 2HG LYS 16 1HG LYS 16 -3.031 -1.301 10.086 150 1HD LYS 16 2HD LYS 16 -3.030 0.600 11.487 151 2HD LYS 16 1HD LYS 16 -3.389 -0.810 12.489 152 1HE LYS 16 2HE LYS 16 -1.097 -0.873 13.283 153 2HE LYS 16 1HE LYS 16 -0.645 0.426 12.187 154 1HZ LYS 16 1HZ LYS 16 -2.488 0.685 14.519 155 2HZ LYS 16 2HZ LYS 16 -2.084 1.932 13.470 156 3HZ LYS 16 3HZ LYS 16 -0.908 1.240 14.424 157 H LYS 17 H LYS 17 -2.931 -5.386 10.304 158 HA LYS 17 HA LYS 17 -0.986 -7.134 11.640 159 1HB LYS 17 2HB LYS 17 -3.013 -6.573 12.932 160 2HB LYS 17 1HB LYS 17 -4.000 -7.308 11.683 161 1HG LYS 17 2HG LYS 17 -3.076 -9.480 12.170 162 2HG LYS 17 1HG LYS 17 -1.939 -8.776 13.319 163 1HD LYS 17 2HD LYS 17 -4.947 -8.727 13.563 164 2HD LYS 17 1HD LYS 17 -3.867 -9.810 14.440 165 1HE LYS 17 2HE LYS 17 -3.863 -6.795 14.618 166 2HE LYS 17 1HE LYS 17 -4.557 -7.888 15.811 167 1HZ LYS 17 1HZ LYS 17 -2.315 -7.116 16.445 168 2HZ LYS 17 2HZ LYS 17 -1.666 -7.801 15.064 169 3HZ LYS 17 3HZ LYS 17 -2.368 -8.790 16.229 170 H LYS 18 H LYS 18 -2.745 -6.751 8.733 171 HA LYS 18 HA LYS 18 -3.004 -9.499 8.044 172 1HB LYS 18 2HB LYS 18 -4.062 -7.292 7.013 173 2HB LYS 18 1HB LYS 18 -2.682 -7.431 5.934 174 1HG LYS 18 2HG LYS 18 -4.511 -8.493 4.868 175 2HG LYS 18 1HG LYS 18 -3.446 -9.780 5.447 176 1HD LYS 18 2HD LYS 18 -5.783 -10.306 5.933 177 2HD LYS 18 1HD LYS 18 -4.871 -10.066 7.426 178 1HE LYS 18 2HE LYS 18 -5.711 -7.736 7.518 179 2HE LYS 18 1HE LYS 18 -6.687 -8.048 6.091 180 1HZ LYS 18 1HZ LYS 18 -6.901 -9.360 8.724 181 2HZ LYS 18 2HZ LYS 18 -7.843 -9.782 7.359 182 3HZ LYS 18 3HZ LYS 18 -8.005 -8.253 8.078 183 H PHE 19 H PHE 19 -0.622 -6.958 7.208 184 HA PHE 19 HA PHE 19 1.106 -9.001 6.068 185 1HB PHE 19 2HB PHE 19 0.872 -6.683 5.024 186 2HB PHE 19 1HB PHE 19 1.676 -6.035 6.444 187 HD1 PHE 19 1HD PHE 19 2.106 -7.571 3.231 188 HD2 PHE 19 2HD PHE 19 4.061 -6.748 6.908 189 HE1 PHE 19 1HE PHE 19 4.289 -7.888 2.158 190 HE2 PHE 19 2HE PHE 19 6.237 -7.064 5.834 191 HZ PHE 19 HZ PHE 19 6.371 -7.610 3.465 192 H LYS 20 H LYS 20 0.590 -7.023 8.851 193 HA LYS 20 HA LYS 20 1.344 -7.018 10.890 194 1HB LYS 20 2HB LYS 20 1.233 -9.261 11.362 195 2HB LYS 20 1HB LYS 20 2.213 -9.703 9.990 196 1HG LYS 20 2HG LYS 20 3.209 -10.392 12.081 197 2HG LYS 20 1HG LYS 20 4.218 -9.217 11.258 198 1HD LYS 20 2HD LYS 20 3.414 -7.486 12.787 199 2HD LYS 20 1HD LYS 20 2.409 -8.693 13.612 200 1HE LYS 20 2HE LYS 20 4.566 -8.319 14.753 201 2HE LYS 20 1HE LYS 20 4.358 -9.979 14.199 202 1HZ LYS 20 1HZ LYS 20 5.747 -9.367 12.214 203 2HZ LYS 20 2HZ LYS 20 6.552 -9.321 13.656 204 3HZ LYS 20 3HZ LYS 20 6.079 -7.879 12.926 205 H LEU 21 H LEU 21 2.174 -5.139 10.662 206 HA LEU 21 HA LEU 21 5.035 -4.954 10.054 207 1HB LEU 21 2HB LEU 21 3.289 -2.546 10.552 208 2HB LEU 21 1HB LEU 21 4.818 -2.657 9.802 209 HG LEU 21 HG LEU 21 3.420 -2.218 8.009 210 1HD1 LEU 21 1HD1 LEU 21 5.002 -3.903 7.489 211 2HD1 LEU 21 2HD1 LEU 21 3.487 -4.198 6.614 212 3HD1 LEU 21 3HD1 LEU 21 3.881 -5.151 8.034 213 1HD2 LEU 21 1HD2 LEU 21 1.197 -2.691 8.981 214 2HD2 LEU 21 2HD2 LEU 21 1.518 -4.423 8.861 215 3HD2 LEU 21 3HD2 LEU 21 1.385 -3.458 7.413 216 H THR 22 H THR 22 2.733 -3.581 12.273 217 HA THR 22 HA THR 22 2.745 -2.867 14.279 218 HB THR 22 HB THR 22 4.014 -4.126 16.101 219 HG1 THR 22 1HG THR 22 5.402 -4.980 14.058 220 1HG2 THR 22 1HG2 THR 22 1.739 -4.629 15.455 221 2HG2 THR 22 2HG2 THR 22 2.613 -6.127 15.819 222 3HG2 THR 22 3HG2 THR 22 2.322 -5.652 14.145 223 H GLY 23 H GLY 23 3.165 -0.975 14.506 224 1HA GLY 23 2HA GLY 23 4.602 0.747 15.378 225 2HA GLY 23 1HA GLY 23 5.968 -0.086 14.631 226 HA PRO 24 HA PRO 24 3.630 3.120 11.730 227 1HB PRO 24 2HB PRO 24 5.798 4.924 12.691 228 2HB PRO 24 1HB PRO 24 4.124 5.305 12.281 229 1HG PRO 24 2HG PRO 24 4.900 5.189 14.816 230 2HG PRO 24 1HG PRO 24 3.316 4.564 14.320 231 1HD PRO 24 2HD PRO 24 5.814 3.070 15.007 232 2HD PRO 24 1HD PRO 24 4.110 2.669 15.322 233 H ILE 25 H ILE 25 4.303 2.781 9.774 234 HA ILE 25 HA ILE 25 7.142 2.211 9.372 235 HB ILE 25 HB ILE 25 5.670 0.274 8.952 236 1HG1 ILE 25 2HG1 ILE 25 6.492 -0.322 6.688 237 2HG1 ILE 25 1HG1 ILE 25 6.982 1.352 6.454 238 1HG2 ILE 25 1HG2 ILE 25 3.655 1.382 8.237 239 2HG2 ILE 25 2HG2 ILE 25 4.161 0.202 7.027 240 3HG2 ILE 25 3HG2 ILE 25 4.445 1.921 6.755 241 1HD1 ILE 25 1HD1 ILE 25 8.871 -0.041 7.064 242 2HD1 ILE 25 2HD1 ILE 25 8.050 -0.531 8.543 243 3HD1 ILE 25 3HD1 ILE 25 8.542 1.147 8.325 244 H GLN 26 H GLN 26 8.301 3.240 7.898 245 HA GLN 26 HA GLN 26 7.042 5.447 6.437 246 1HB GLN 26 2HB GLN 26 9.279 6.414 6.318 247 2HB GLN 26 1HB GLN 26 8.869 6.048 7.987 248 1HG GLN 26 2HG GLN 26 10.228 4.020 7.876 249 2HG GLN 26 1HG GLN 26 10.608 4.391 6.191 250 1HE2 GLN 26 1HE2 GLN 26 11.107 5.314 9.495 251 2HE2 GLN 26 2HE2 GLN 26 12.492 6.303 9.227 252 H VAL 27 H VAL 27 8.168 5.863 4.268 253 HA VAL 27 HA VAL 27 8.059 3.362 2.846 254 HB VAL 27 HB VAL 27 6.900 5.259 1.853 255 1HG1 VAL 27 1HG1 VAL 27 8.092 7.117 0.846 256 2HG1 VAL 27 2HG1 VAL 27 9.610 6.484 1.480 257 3HG1 VAL 27 3HG1 VAL 27 8.362 7.071 2.599 258 1HG2 VAL 27 1HG2 VAL 27 7.698 3.554 0.372 259 2HG2 VAL 27 2HG2 VAL 27 9.246 4.384 0.211 260 3HG2 VAL 27 3HG2 VAL 27 7.775 5.129 -0.415 261 H ILE 28 H ILE 28 9.635 2.343 1.846 262 HA ILE 28 HA ILE 28 12.356 3.073 2.576 263 HB ILE 28 HB ILE 28 11.340 0.555 1.219 264 1HG1 ILE 28 2HG1 ILE 28 10.347 0.758 3.434 265 2HG1 ILE 28 1HG1 ILE 28 11.552 -0.520 3.436 266 1HG2 ILE 28 1HG2 ILE 28 13.989 1.133 2.545 267 2HG2 ILE 28 2HG2 ILE 28 13.703 0.933 0.814 268 3HG2 ILE 28 3HG2 ILE 28 13.480 -0.432 1.908 269 1HD1 ILE 28 1HD1 ILE 28 11.915 2.265 4.520 270 2HD1 ILE 28 2HD1 ILE 28 13.141 0.998 4.521 271 3HD1 ILE 28 3HD1 ILE 28 11.665 0.798 5.468 272 H HIS 29 H HIS 29 10.310 2.599 -0.275 273 HA HIS 29 HA HIS 29 12.096 4.036 -2.006 274 1HB HIS 29 2HB HIS 29 11.796 1.067 -2.329 275 2HB HIS 29 1HB HIS 29 12.115 2.101 -3.707 276 HD1 HIS 29 1HD HIS 29 13.722 -0.001 -1.371 277 HD2 HIS 29 2HD HIS 29 14.693 3.663 -3.068 278 HE1 HIS 29 1HE HIS 29 16.214 0.268 -1.053 279 HE2 HIS 29 2HE HIS 29 16.790 2.361 -2.330 280 H LEU 30 H LEU 30 11.217 3.906 -4.271 281 HA LEU 30 HA LEU 30 8.326 3.718 -4.076 282 1HB LEU 30 2HB LEU 30 9.993 5.427 -5.949 283 2HB LEU 30 1HB LEU 30 8.256 5.213 -6.047 284 HG LEU 30 HG LEU 30 8.063 6.266 -3.782 285 1HD1 LEU 30 1HD1 LEU 30 10.946 7.005 -4.224 286 2HD1 LEU 30 2HD1 LEU 30 10.317 5.933 -2.970 287 3HD1 LEU 30 3HD1 LEU 30 9.890 7.644 -2.962 288 1HD2 LEU 30 1HD2 LEU 30 9.280 7.925 -5.981 289 2HD2 LEU 30 2HD2 LEU 30 8.347 8.547 -4.619 290 3HD2 LEU 30 3HD2 LEU 30 7.577 7.496 -5.807 291 H ALA 31 H ALA 31 7.450 2.315 -5.128 292 HA ALA 31 HA ALA 31 8.828 0.777 -7.215 293 1HB ALA 31 1HB ALA 31 7.212 -0.980 -6.856 294 2HB ALA 31 2HB ALA 31 6.321 0.023 -5.721 295 3HB ALA 31 3HB ALA 31 7.948 -0.541 -5.315 296 H LYS 32 H LYS 32 7.738 0.136 -9.031 297 HA LYS 32 HA LYS 32 5.739 2.069 -9.962 298 1HB LYS 32 2HB LYS 32 7.765 2.083 -11.273 299 2HB LYS 32 1HB LYS 32 7.749 0.330 -11.351 300 1HG LYS 32 2HG LYS 32 5.666 0.459 -12.692 301 2HG LYS 32 1HG LYS 32 5.803 2.215 -12.670 302 1HD LYS 32 2HD LYS 32 7.974 2.034 -13.800 303 2HD LYS 32 1HD LYS 32 7.785 0.277 -13.850 304 1HE LYS 32 2HE LYS 32 5.720 0.554 -15.156 305 2HE LYS 32 1HE LYS 32 5.959 2.300 -15.137 306 1HZ LYS 32 1HZ LYS 32 6.784 1.454 -17.195 307 2HZ LYS 32 2HZ LYS 32 7.685 0.266 -16.401 308 3HZ LYS 32 3HZ LYS 32 8.135 1.870 -16.258 309 H ALA 33 H ALA 33 3.727 1.274 -10.355 310 HA ALA 33 HA ALA 33 3.027 -1.435 -10.053 311 1HB ALA 33 1HB ALA 33 0.971 -0.728 -11.159 312 2HB ALA 33 2HB ALA 33 1.715 0.803 -11.584 313 3HB ALA 33 3HB ALA 33 1.423 0.404 -9.888 314 H CYS 34 H CYS 34 4.115 -2.810 -11.311 315 HA CYS 34 HA CYS 34 4.995 -2.211 -13.947 316 1HB CYS 34 2HB CYS 34 6.163 -3.796 -12.457 317 2HB CYS 34 1HB CYS 34 4.779 -4.873 -12.524 318 HG CYS 34 HG CYS 34 5.763 -6.245 -14.377 319 H CYS 35 H CYS 35 2.183 -3.583 -12.548 320 HA CYS 35 HA CYS 35 1.034 -3.995 -15.226 321 1HB CYS 35 2HB CYS 35 0.568 -5.763 -12.816 322 2HB CYS 35 1HB CYS 35 -0.137 -5.962 -14.411 323 HG CYS 35 HG CYS 35 2.583 -6.298 -15.494 324 H ASP 36 H ASP 36 -1.228 -3.637 -15.264 325 HA ASP 36 HA ASP 36 -2.215 -2.004 -13.091 326 1HB ASP 36 2HB ASP 36 -4.205 -1.553 -14.407 327 2HB ASP 36 1HB ASP 36 -2.840 -1.430 -15.494 328 H VAL 37 H VAL 37 -3.040 -2.783 -11.431 329 HA VAL 37 HA VAL 37 -3.671 -5.613 -11.468 330 HB VAL 37 HB VAL 37 -2.020 -3.954 -9.593 331 1HG1 VAL 37 1HG1 VAL 37 -3.583 -5.141 -8.233 332 2HG1 VAL 37 2HG1 VAL 37 -1.923 -5.784 -8.094 333 3HG1 VAL 37 3HG1 VAL 37 -3.157 -6.653 -9.067 334 1HG2 VAL 37 1HG2 VAL 37 -0.450 -5.769 -9.935 335 2HG2 VAL 37 2HG2 VAL 37 -0.936 -5.014 -11.453 336 3HG2 VAL 37 3HG2 VAL 37 -1.612 -6.577 -10.989 337 H LYS 38 H LYS 38 -5.325 -6.364 -10.252 338 HA LYS 38 HA LYS 38 -7.402 -4.398 -9.901 339 1HB LYS 38 2HB LYS 38 -7.635 -6.540 -11.161 340 2HB LYS 38 1HB LYS 38 -7.544 -7.378 -9.621 341 1HG LYS 38 2HG LYS 38 -9.547 -6.281 -8.875 342 2HG LYS 38 1HG LYS 38 -9.621 -5.349 -10.377 343 1HD LYS 38 2HD LYS 38 -9.645 -7.504 -11.588 344 2HD LYS 38 1HD LYS 38 -9.848 -8.319 -10.042 345 1HE LYS 38 2HE LYS 38 -12.029 -7.976 -11.102 346 2HE LYS 38 1HE LYS 38 -11.893 -7.065 -9.598 347 1HZ LYS 38 1HZ LYS 38 -12.908 -5.766 -11.374 348 2HZ LYS 38 2HZ LYS 38 -11.509 -5.909 -12.325 349 3HZ LYS 38 3HZ LYS 38 -11.472 -5.059 -10.875 350 H GLY 39 H GLY 39 -5.155 -5.952 -7.862 351 1HA GLY 39 2HA GLY 39 -4.994 -5.925 -5.548 352 2HA GLY 39 1HA GLY 39 -6.463 -4.961 -5.494 353 H GLY 40 H GLY 40 -5.426 -8.229 -6.313 354 1HA GLY 40 2HA GLY 40 -8.050 -9.166 -5.390 355 2HA GLY 40 1HA GLY 40 -7.053 -9.986 -6.583 356 H LYS 41 H LYS 41 -8.221 -10.413 -3.771 357 HA LYS 41 HA LYS 41 -7.808 -11.622 -1.954 358 1HB LYS 41 2HB LYS 41 -7.263 -13.375 -3.614 359 2HB LYS 41 1HB LYS 41 -5.589 -12.846 -3.635 360 1HG LYS 41 2HG LYS 41 -5.293 -13.567 -1.351 361 2HG LYS 41 1HG LYS 41 -7.002 -13.967 -1.224 362 1HD LYS 41 2HD LYS 41 -5.667 -15.982 -1.564 363 2HD LYS 41 1HD LYS 41 -6.730 -15.700 -2.934 364 1HE LYS 41 2HE LYS 41 -4.501 -16.430 -3.653 365 2HE LYS 41 1HE LYS 41 -4.857 -14.802 -4.219 366 1HZ LYS 41 1HZ LYS 41 -3.290 -15.292 -1.744 367 2HZ LYS 41 2HZ LYS 41 -3.340 -13.876 -2.701 368 3HZ LYS 41 3HZ LYS 41 -2.572 -15.234 -3.253 369 H ASN 42 H ASN 42 -7.296 -9.599 -1.060 370 HA ASN 42 HA ASN 42 -6.174 -8.154 0.200 371 1HB ASN 42 2HB ASN 42 -4.457 -10.554 0.906 372 2HB ASN 42 1HB ASN 42 -4.368 -9.006 1.724 373 1HD2 ASN 42 1HD2 ASN 42 -5.950 -12.011 1.511 374 2HD2 ASN 42 2HD2 ASN 42 -7.119 -11.718 2.756 375 H GLU 43 H GLU 43 -5.581 -7.440 -2.134 376 HA GLU 43 HA GLU 43 -2.751 -6.776 -1.930 377 1HB GLU 43 2HB GLU 43 -4.198 -7.792 -4.337 378 2HB GLU 43 1HB GLU 43 -2.811 -6.731 -4.538 379 1HG GLU 43 2HG GLU 43 -1.451 -8.290 -3.237 380 2HG GLU 43 1HG GLU 43 -2.850 -9.329 -3.030 381 H LEU 44 H LEU 44 -2.374 -4.926 -3.736 382 HA LEU 44 HA LEU 44 -4.197 -2.799 -2.894 383 1HB LEU 44 2HB LEU 44 -1.485 -2.917 -2.969 384 2HB LEU 44 1HB LEU 44 -1.809 -2.322 -4.575 385 HG LEU 44 HG LEU 44 -2.698 -0.931 -2.039 386 1HD1 LEU 44 1HD1 LEU 44 -1.046 0.670 -2.586 387 2HD1 LEU 44 2HD1 LEU 44 -0.515 -0.352 -3.949 388 3HD1 LEU 44 3HD1 LEU 44 -0.371 -0.936 -2.263 389 1HD2 LEU 44 1HD2 LEU 44 -3.139 0.974 -3.427 390 2HD2 LEU 44 2HD2 LEU 44 -4.142 -0.392 -3.937 391 3HD2 LEU 44 3HD2 LEU 44 -2.701 0.065 -4.870 392 H SER 45 H SER 45 -5.403 -1.748 -4.395 393 HA SER 45 HA SER 45 -5.212 -2.848 -7.032 394 1HB SER 45 2HB SER 45 -7.375 -1.553 -7.463 395 2HB SER 45 1HB SER 45 -7.480 -2.809 -6.228 396 HG SER 45 HG SER 45 -6.755 -0.263 -5.394 397 H PHE 46 H PHE 46 -4.073 -1.888 -8.508 398 HA PHE 46 HA PHE 46 -3.797 0.972 -8.595 399 1HB PHE 46 2HB PHE 46 -1.248 0.734 -8.792 400 2HB PHE 46 1HB PHE 46 -1.922 0.506 -7.180 401 HD1 PHE 46 1HD PHE 46 -0.463 -1.165 -10.103 402 HD2 PHE 46 2HD PHE 46 -1.699 -1.561 -6.073 403 HE1 PHE 46 1HE PHE 46 0.748 -3.291 -9.948 404 HE2 PHE 46 2HE PHE 46 -0.499 -3.686 -5.907 405 HZ PHE 46 HZ PHE 46 0.735 -4.555 -7.843 406 H LYS 47 H LYS 47 -2.151 1.350 -10.573 407 HA LYS 47 HA LYS 47 -2.940 -0.500 -12.666 408 1HB LYS 47 2HB LYS 47 -3.262 2.506 -12.710 409 2HB LYS 47 1HB LYS 47 -3.428 1.454 -14.107 410 1HG LYS 47 2HG LYS 47 -5.367 0.414 -13.152 411 2HG LYS 47 1HG LYS 47 -5.152 1.310 -11.652 412 1HD LYS 47 2HD LYS 47 -5.699 2.575 -14.342 413 2HD LYS 47 1HD LYS 47 -6.938 2.220 -13.140 414 1HE LYS 47 2HE LYS 47 -6.467 4.484 -12.788 415 2HE LYS 47 1HE LYS 47 -5.524 3.669 -11.550 416 1HZ LYS 47 1HZ LYS 47 -4.094 5.255 -12.432 417 2HZ LYS 47 2HZ LYS 47 -4.639 5.017 -13.998 418 3HZ LYS 47 3HZ LYS 47 -3.591 3.902 -13.312 419 H GLN 48 H GLN 48 -1.379 -0.746 -14.044 420 HA GLN 48 HA GLN 48 1.233 -0.323 -13.868 421 1HB GLN 48 2HB GLN 48 -0.038 -1.438 -15.758 422 2HB GLN 48 1HB GLN 48 -0.257 0.143 -16.472 423 1HG GLN 48 2HG GLN 48 2.446 -1.091 -15.963 424 2HG GLN 48 1HG GLN 48 1.546 -1.312 -17.454 425 1HE2 GLN 48 1HE2 GLN 48 4.129 -0.124 -16.952 426 2HE2 GLN 48 2HE2 GLN 48 4.075 1.483 -17.581 427 H GLY 49 H GLY 49 2.349 1.395 -13.276 428 1HA GLY 49 2HA GLY 49 3.379 3.472 -13.623 429 2HA GLY 49 1HA GLY 49 2.098 3.894 -14.739 430 H GLU 50 H GLU 50 1.052 2.731 -11.651 431 HA GLU 50 HA GLU 50 -0.113 5.248 -10.992 432 1HB GLU 50 2HB GLU 50 -0.014 2.629 -9.597 433 2HB GLU 50 1HB GLU 50 -0.454 4.043 -8.662 434 1HG GLU 50 2HG GLU 50 -1.829 3.061 -11.144 435 2HG GLU 50 1HG GLU 50 -2.383 2.820 -9.490 436 H GLN 51 H GLN 51 2.838 3.840 -10.251 437 HA GLN 51 HA GLN 51 4.635 4.364 -8.997 438 1HB GLN 51 2HB GLN 51 4.332 6.714 -9.763 439 2HB GLN 51 1HB GLN 51 3.217 7.005 -8.439 440 1HG GLN 51 2HG GLN 51 5.313 7.964 -7.871 441 2HG GLN 51 1HG GLN 51 5.080 6.544 -6.859 442 1HE2 GLN 51 1HE2 GLN 51 6.403 4.760 -7.145 443 2HE2 GLN 51 2HE2 GLN 51 7.802 4.805 -8.142 444 H ILE 52 H ILE 52 4.729 3.093 -7.368 445 HA ILE 52 HA ILE 52 2.822 3.295 -5.145 446 HB ILE 52 HB ILE 52 4.421 0.883 -6.094 447 1HG1 ILE 52 2HG1 ILE 52 1.606 1.759 -6.785 448 2HG1 ILE 52 1HG1 ILE 52 2.985 1.513 -7.847 449 1HG2 ILE 52 1HG2 ILE 52 3.692 0.741 -3.744 450 2HG2 ILE 52 2HG2 ILE 52 2.838 -0.429 -4.748 451 3HG2 ILE 52 3HG2 ILE 52 2.028 1.052 -4.242 452 1HD1 ILE 52 1HD1 ILE 52 2.929 -0.840 -7.445 453 2HD1 ILE 52 2HD1 ILE 52 1.362 -0.269 -8.016 454 3HD1 ILE 52 3HD1 ILE 52 1.600 -0.639 -6.307 455 H GLU 53 H GLU 53 3.871 2.639 -3.061 456 HA GLU 53 HA GLU 53 6.759 3.288 -2.936 457 1HB GLU 53 2HB GLU 53 4.838 3.583 -0.659 458 2HB GLU 53 1HB GLU 53 6.408 4.283 -0.952 459 1HG GLU 53 2HG GLU 53 5.634 5.809 -2.525 460 2HG GLU 53 1HG GLU 53 4.039 5.070 -2.604 461 H ILE 54 H ILE 54 7.950 1.809 -1.780 462 HA ILE 54 HA ILE 54 6.469 -0.505 -0.794 463 HB ILE 54 HB ILE 54 8.349 -1.097 -2.384 464 1HG1 ILE 54 2HG1 ILE 54 9.544 -2.735 -0.901 465 2HG1 ILE 54 1HG1 ILE 54 8.749 -1.981 0.474 466 1HG2 ILE 54 1HG2 ILE 54 9.822 0.722 -1.999 467 2HG2 ILE 54 2HG2 ILE 54 10.640 -0.827 -1.799 468 3HG2 ILE 54 3HG2 ILE 54 10.180 0.118 -0.384 469 1HD1 ILE 54 1HD1 ILE 54 7.661 -3.985 -0.189 470 2HD1 ILE 54 2HD1 ILE 54 7.366 -3.322 -1.800 471 3HD1 ILE 54 3HD1 ILE 54 6.608 -2.586 -0.375 472 H ILE 55 H ILE 55 6.035 -0.522 1.242 473 HA ILE 55 HA ILE 55 7.794 0.983 3.011 474 HB ILE 55 HB ILE 55 5.927 0.786 4.746 475 1HG1 ILE 55 2HG1 ILE 55 4.664 -0.923 3.247 476 2HG1 ILE 55 1HG1 ILE 55 3.701 0.251 4.124 477 1HG2 ILE 55 1HG2 ILE 55 6.512 2.865 3.722 478 2HG2 ILE 55 2HG2 ILE 55 4.760 2.758 3.891 479 3HG2 ILE 55 3HG2 ILE 55 5.513 2.496 2.317 480 1HD1 ILE 55 1HD1 ILE 55 4.502 0.327 1.226 481 2HD1 ILE 55 2HD1 ILE 55 3.585 1.586 2.051 482 3HD1 ILE 55 3HD1 ILE 55 2.897 -0.031 1.870 483 H ARG 56 H ARG 56 6.270 -2.215 2.704 484 HA ARG 56 HA ARG 56 8.393 -2.988 4.519 485 1HB ARG 56 2HB ARG 56 6.092 -2.901 5.691 486 2HB ARG 56 1HB ARG 56 5.728 -4.322 4.726 487 1HG ARG 56 2HG ARG 56 6.512 -5.274 6.688 488 2HG ARG 56 1HG ARG 56 7.919 -5.273 5.645 489 1HD ARG 56 2HD ARG 56 7.333 -3.349 7.893 490 2HD ARG 56 1HD ARG 56 8.595 -4.560 7.822 491 HE ARG 56 HE ARG 56 8.577 -2.267 5.973 492 1HH1 ARG 56 1HH1 ARG 56 10.292 -4.236 8.408 493 2HH1 ARG 56 2HH1 ARG 56 11.758 -3.390 8.192 494 1HH2 ARG 56 1HH2 ARG 56 10.546 -1.099 5.790 495 2HH2 ARG 56 2HH2 ARG 56 11.893 -1.532 6.732 496 H ILE 57 H ILE 57 9.419 -4.694 4.051 497 HA ILE 57 HA ILE 57 8.488 -6.448 1.919 498 HB ILE 57 HB ILE 57 11.010 -6.843 1.457 499 1HG1 ILE 57 2HG1 ILE 57 11.809 -5.422 3.412 500 2HG1 ILE 57 1HG1 ILE 57 12.598 -5.105 1.871 501 1HG2 ILE 57 1HG2 ILE 57 9.717 -4.317 0.524 502 2HG2 ILE 57 2HG2 ILE 57 9.590 -5.924 -0.195 503 3HG2 ILE 57 3HG2 ILE 57 11.133 -5.070 -0.207 504 1HD1 ILE 57 1HD1 ILE 57 11.198 -3.126 1.564 505 2HD1 ILE 57 2HD1 ILE 57 12.081 -3.016 3.104 506 3HD1 ILE 57 3HD1 ILE 57 10.375 -3.477 3.072 507 H THR 58 H THR 58 10.326 -6.080 4.941 508 HA THR 58 HA THR 58 10.814 -8.870 5.115 509 HB THR 58 HB THR 58 11.848 -8.040 7.304 510 HG1 THR 58 1HG THR 58 11.838 -5.972 7.633 511 1HG2 THR 58 1HG2 THR 58 13.100 -8.639 5.307 512 2HG2 THR 58 2HG2 THR 58 13.810 -7.214 6.094 513 3HG2 THR 58 3HG2 THR 58 12.810 -7.030 4.640 514 H ASP 59 H ASP 59 10.326 -10.023 7.022 515 HA ASP 59 HA ASP 59 8.835 -11.124 8.247 516 1HB ASP 59 2HB ASP 59 9.405 -9.240 9.859 517 2HB ASP 59 1HB ASP 59 7.937 -8.427 9.328 518 H ASN 60 H ASN 60 7.996 -11.481 6.195 519 HA ASN 60 HA ASN 60 5.262 -10.473 5.938 520 1HB ASN 60 2HB ASN 60 5.390 -11.025 3.506 521 2HB ASN 60 1HB ASN 60 6.534 -9.796 3.993 522 1HD2 ASN 60 1HD2 ASN 60 7.844 -10.116 2.266 523 2HD2 ASN 60 2HD2 ASN 60 8.844 -11.503 2.040 524 HA PRO 61 HA PRO 61 4.019 -14.570 6.870 525 1HB PRO 61 2HB PRO 61 1.373 -13.971 5.837 526 2HB PRO 61 1HB PRO 61 1.887 -14.172 7.513 527 1HG PRO 61 2HG PRO 61 1.110 -11.780 6.461 528 2HG PRO 61 1HG PRO 61 2.256 -11.931 7.801 529 1HD PRO 61 2HD PRO 61 2.780 -11.427 4.902 530 2HD PRO 61 1HD PRO 61 3.573 -10.728 6.333 531 H GLU 62 H GLU 62 3.343 -13.215 3.704 532 HA GLU 62 HA GLU 62 2.834 -15.924 2.647 533 1HB GLU 62 2HB GLU 62 1.045 -14.232 2.489 534 2HB GLU 62 1HB GLU 62 2.106 -13.248 1.502 535 1HG GLU 62 2HG GLU 62 2.110 -14.949 -0.216 536 2HG GLU 62 1HG GLU 62 1.086 -15.981 0.789 537 H GLY 63 H GLY 63 4.663 -12.972 2.168 538 1HA GLY 63 2HA GLY 63 6.972 -13.296 1.319 539 2HA GLY 63 1HA GLY 63 6.275 -14.389 0.125 540 H LYS 64 H LYS 64 3.986 -12.251 0.364 541 HA LYS 64 HA LYS 64 4.731 -10.727 -1.920 542 1HB LYS 64 2HB LYS 64 2.457 -10.116 -1.951 543 2HB LYS 64 1HB LYS 64 2.420 -11.747 -1.296 544 1HG LYS 64 2HG LYS 64 2.428 -10.599 0.971 545 2HG LYS 64 1HG LYS 64 2.000 -9.131 0.099 546 1HD LYS 64 2HD LYS 64 0.433 -11.686 0.387 547 2HD LYS 64 1HD LYS 64 -0.055 -10.047 0.803 548 1HE LYS 64 2HE LYS 64 -0.020 -9.522 -1.654 549 2HE LYS 64 1HE LYS 64 0.273 -11.245 -1.931 550 1HZ LYS 64 1HZ LYS 64 -2.026 -11.037 -2.117 551 2HZ LYS 64 2HZ LYS 64 -2.120 -9.919 -0.875 552 3HZ LYS 64 3HZ LYS 64 -1.852 -11.533 -0.498 553 H TRP 65 H TRP 65 4.398 -8.261 -1.734 554 HA TRP 65 HA TRP 65 5.929 -7.325 0.635 555 1HB TRP 65 2HB TRP 65 5.595 -6.195 -2.121 556 2HB TRP 65 1HB TRP 65 6.333 -5.293 -0.817 557 HD1 TRP 65 HD TRP 65 7.929 -8.117 0.164 558 HE1 TRP 65 1HE TRP 65 10.075 -8.679 -1.160 559 HE3 TRP 65 3HE TRP 65 7.073 -5.308 -4.008 560 HZ2 TRP 65 2HZ TRP 65 11.230 -8.019 -3.626 561 HZ3 TRP 65 3HZ TRP 65 8.750 -5.327 -5.800 562 HH2 TRP 65 HH TRP 65 10.784 -6.654 -5.612 563 H LEU 66 H LEU 66 5.473 -4.905 1.075 564 HA LEU 66 HA LEU 66 2.567 -4.546 0.993 565 1HB LEU 66 2HB LEU 66 3.392 -4.835 3.306 566 2HB LEU 66 1HB LEU 66 4.512 -3.506 3.066 567 HG LEU 66 HG LEU 66 2.615 -1.968 2.761 568 1HD1 LEU 66 1HD1 LEU 66 0.376 -2.670 3.366 569 2HD1 LEU 66 2HD1 LEU 66 0.943 -4.338 3.514 570 3HD1 LEU 66 3HD1 LEU 66 0.972 -3.530 1.943 571 1HD2 LEU 66 1HD2 LEU 66 1.901 -1.923 5.090 572 2HD2 LEU 66 2HD2 LEU 66 3.636 -2.216 4.944 573 3HD2 LEU 66 3HD2 LEU 66 2.544 -3.548 5.318 574 H GLY 67 H GLY 67 2.096 -3.113 -0.501 575 1HA GLY 67 2HA GLY 67 3.964 -0.903 -0.857 576 2HA GLY 67 1HA GLY 67 3.007 -1.604 -2.171 577 H ARG 68 H ARG 68 3.013 1.080 -1.476 578 HA ARG 68 HA ARG 68 0.178 1.434 -0.838 579 1HB ARG 68 2HB ARG 68 1.207 1.888 1.219 580 2HB ARG 68 1HB ARG 68 2.479 2.889 0.507 581 1HG ARG 68 2HG ARG 68 0.572 4.460 -0.126 582 2HG ARG 68 1HG ARG 68 -0.457 3.520 0.949 583 1HD ARG 68 2HD ARG 68 1.064 3.916 2.753 584 2HD ARG 68 1HD ARG 68 2.112 4.895 1.717 585 HE ARG 68 HE ARG 68 -0.462 5.623 2.864 586 1HH1 ARG 68 1HH1 ARG 68 2.105 6.523 0.520 587 2HH1 ARG 68 2HH1 ARG 68 1.594 8.131 0.413 588 1HH2 ARG 68 1HH2 ARG 68 -1.126 7.892 2.690 589 2HH2 ARG 68 2HH2 ARG 68 -0.256 8.943 1.690 590 H THR 69 H THR 69 -0.712 3.114 -1.772 591 HA THR 69 HA THR 69 0.811 4.370 -3.946 592 HB THR 69 HB THR 69 -1.579 5.050 -4.685 593 HG1 THR 69 1HG THR 69 -3.226 4.003 -3.725 594 1HG2 THR 69 1HG2 THR 69 -0.789 2.127 -4.652 595 2HG2 THR 69 2HG2 THR 69 -0.261 3.324 -5.838 596 3HG2 THR 69 3HG2 THR 69 -1.960 2.860 -5.746 597 H ALA 70 H ALA 70 0.137 6.740 -4.366 598 HA ALA 70 HA ALA 70 0.873 8.269 -2.142 599 1HB ALA 70 1HB ALA 70 0.371 10.223 -3.503 600 2HB ALA 70 2HB ALA 70 -0.556 9.225 -4.622 601 3HB ALA 70 3HB ALA 70 1.185 8.993 -4.466 602 H ARG 71 H ARG 71 -2.261 7.413 -3.309 603 HA ARG 71 HA ARG 71 -3.804 9.170 -1.675 604 1HB ARG 71 2HB ARG 71 -5.694 7.653 -2.246 605 2HB ARG 71 1HB ARG 71 -4.795 8.232 -3.641 606 1HG ARG 71 2HG ARG 71 -3.571 6.082 -3.693 607 2HG ARG 71 1HG ARG 71 -4.595 5.510 -2.376 608 1HD ARG 71 2HD ARG 71 -6.511 5.634 -3.680 609 2HD ARG 71 1HD ARG 71 -5.701 6.521 -4.987 610 HE ARG 71 HE ARG 71 -5.535 3.666 -4.350 611 1HH1 ARG 71 1HH1 ARG 71 -4.551 6.339 -6.485 612 2HH1 ARG 71 2HH1 ARG 71 -4.002 5.347 -7.753 613 1HH2 ARG 71 1HH2 ARG 71 -4.819 2.269 -6.160 614 2HH2 ARG 71 2HH2 ARG 71 -4.202 3.018 -7.556 615 H GLY 72 H GLY 72 -2.033 6.393 -0.927 616 1HA GLY 72 2HA GLY 72 -1.708 5.399 1.077 617 2HA GLY 72 1HA GLY 72 -2.980 6.359 1.787 618 H SER 73 H SER 73 -2.142 3.389 0.215 619 HA SER 73 HA SER 73 -4.487 2.117 0.986 620 1HB SER 73 2HB SER 73 -3.490 2.080 -1.839 621 2HB SER 73 1HB SER 73 -4.874 1.212 -1.239 622 HG SER 73 HG SER 73 -5.725 3.487 -0.763 623 H TYR 74 H TYR 74 -3.565 0.467 1.690 624 HA TYR 74 HA TYR 74 -0.765 -0.138 1.017 625 1HB TYR 74 2HB TYR 74 -2.471 -0.333 3.231 626 2HB TYR 74 1HB TYR 74 -1.090 -1.454 3.293 627 HD1 TYR 74 1HD TYR 74 1.187 -0.376 3.604 628 HD2 TYR 74 2HD TYR 74 -2.372 1.925 3.844 629 HE1 TYR 74 1HE TYR 74 2.424 1.383 4.779 630 HE2 TYR 74 2HE TYR 74 -1.140 3.704 5.011 631 HH TYR 74 HH TYR 74 2.235 3.879 5.241 632 H GLY 75 H GLY 75 -1.334 -1.455 -0.664 633 1HA GLY 75 2HA GLY 75 -2.865 -3.755 0.142 634 2HA GLY 75 1HA GLY 75 -2.606 -3.214 -1.519 635 H TYR 76 H TYR 76 -1.485 -4.797 1.038 636 HA TYR 76 HA TYR 76 1.095 -5.586 0.520 637 1HB TYR 76 2HB TYR 76 -0.498 -8.008 0.912 638 2HB TYR 76 1HB TYR 76 0.653 -7.257 2.010 639 HD1 TYR 76 1HD TYR 76 -2.851 -7.342 0.958 640 HD2 TYR 76 2HD TYR 76 -0.138 -5.876 3.883 641 HE1 TYR 76 1HE TYR 76 -4.742 -6.640 2.330 642 HE2 TYR 76 2HE TYR 76 -2.027 -5.170 5.260 643 HH TYR 76 HH TYR 76 -5.321 -6.061 4.489 644 H ILE 77 H ILE 77 1.769 -5.633 -1.501 645 HA ILE 77 HA ILE 77 0.327 -6.486 -3.777 646 HB ILE 77 HB ILE 77 2.675 -6.220 -4.700 647 1HG1 ILE 77 2HG1 ILE 77 2.876 -4.700 -2.103 648 2HG1 ILE 77 1HG1 ILE 77 3.897 -6.009 -2.673 649 1HG2 ILE 77 1HG2 ILE 77 0.773 -4.815 -5.246 650 2HG2 ILE 77 2HG2 ILE 77 2.189 -3.784 -4.974 651 3HG2 ILE 77 3HG2 ILE 77 0.947 -3.940 -3.718 652 1HD1 ILE 77 1HD1 ILE 77 5.022 -3.877 -2.810 653 2HD1 ILE 77 2HD1 ILE 77 3.732 -3.260 -3.855 654 3HD1 ILE 77 3HD1 ILE 77 4.771 -4.568 -4.415 655 H LYS 78 H LYS 78 0.678 -8.154 -5.040 656 HA LYS 78 HA LYS 78 2.459 -10.149 -4.156 657 1HB LYS 78 2HB LYS 78 1.849 -11.317 -6.276 658 2HB LYS 78 1HB LYS 78 0.367 -10.698 -5.562 659 1HG LYS 78 2HG LYS 78 0.333 -8.853 -7.083 660 2HG LYS 78 1HG LYS 78 1.972 -9.309 -7.578 661 1HD LYS 78 2HD LYS 78 0.537 -9.996 -9.381 662 2HD LYS 78 1HD LYS 78 0.920 -11.459 -8.497 663 1HE LYS 78 2HE LYS 78 -1.637 -9.878 -8.184 664 2HE LYS 78 1HE LYS 78 -1.453 -11.261 -9.253 665 1HZ LYS 78 1HZ LYS 78 -2.478 -11.948 -7.286 666 2HZ LYS 78 2HZ LYS 78 -1.400 -11.188 -6.303 667 3HZ LYS 78 3HZ LYS 78 -0.908 -12.581 -7.196 668 H THR 79 H THR 79 4.278 -9.642 -4.349 669 HA THR 79 HA THR 79 5.940 -7.672 -5.069 670 HB THR 79 HB THR 79 7.843 -9.236 -5.195 671 HG1 THR 79 1HG THR 79 7.469 -11.399 -5.249 672 1HG2 THR 79 1HG2 THR 79 6.854 -8.733 -3.020 673 2HG2 THR 79 2HG2 THR 79 7.466 -10.386 -3.077 674 3HG2 THR 79 3HG2 THR 79 5.733 -10.079 -3.213 675 H THR 80 H THR 80 5.100 -10.233 -7.274 676 HA THR 80 HA THR 80 6.658 -9.514 -9.475 677 HB THR 80 HB THR 80 5.703 -11.738 -9.210 678 HG1 THR 80 1HG THR 80 4.953 -12.064 -11.276 679 1HG2 THR 80 1HG2 THR 80 3.609 -11.132 -8.149 680 2HG2 THR 80 2HG2 THR 80 3.289 -12.145 -9.553 681 3HG2 THR 80 3HG2 THR 80 3.035 -10.400 -9.634 682 H ALA 81 H ALA 81 3.745 -7.989 -8.262 683 HA ALA 81 HA ALA 81 2.858 -7.109 -10.855 684 1HB ALA 81 1HB ALA 81 1.912 -6.398 -8.097 685 2HB ALA 81 2HB ALA 81 1.274 -7.699 -9.103 686 3HB ALA 81 3HB ALA 81 1.089 -6.015 -9.615 687 H VAL 82 H VAL 82 5.139 -6.120 -8.589 688 HA VAL 82 HA VAL 82 5.147 -3.443 -9.799 689 HB VAL 82 HB VAL 82 6.046 -2.502 -7.710 690 1HG1 VAL 82 1HG1 VAL 82 3.344 -3.802 -7.403 691 2HG1 VAL 82 2HG1 VAL 82 3.694 -2.259 -8.186 692 3HG1 VAL 82 3HG1 VAL 82 3.954 -2.441 -6.459 693 1HG2 VAL 82 1HG2 VAL 82 5.825 -3.747 -5.614 694 2HG2 VAL 82 2HG2 VAL 82 6.945 -4.547 -6.721 695 3HG2 VAL 82 3HG2 VAL 82 5.306 -5.167 -6.513 696 H GLU 83 H GLU 83 7.122 -2.363 -9.641 697 HA GLU 83 HA GLU 83 9.515 -4.046 -9.405 698 1HB GLU 83 2HB GLU 83 8.951 -1.913 -11.447 699 2HB GLU 83 1HB GLU 83 10.515 -2.706 -11.250 700 1HG GLU 83 2HG GLU 83 9.377 -4.835 -11.850 701 2HG GLU 83 1HG GLU 83 7.927 -3.893 -12.201 702 H ILE 84 H ILE 84 10.357 -3.218 -7.585 703 HA ILE 84 HA ILE 84 9.911 -0.460 -6.917 704 HB ILE 84 HB ILE 84 11.206 -0.704 -4.939 705 1HG1 ILE 84 2HG1 ILE 84 12.005 -3.507 -5.609 706 2HG1 ILE 84 1HG1 ILE 84 12.977 -2.148 -6.180 707 1HG2 ILE 84 1HG2 ILE 84 8.998 -1.670 -4.820 708 2HG2 ILE 84 2HG2 ILE 84 10.120 -2.604 -3.829 709 3HG2 ILE 84 3HG2 ILE 84 9.613 -3.217 -5.403 710 1HD1 ILE 84 1HD1 ILE 84 13.209 -1.355 -3.939 711 2HD1 ILE 84 2HD1 ILE 84 13.835 -2.995 -4.091 712 3HD1 ILE 84 3HD1 ILE 84 12.248 -2.695 -3.324 713 H ASP 85 H ASP 85 11.513 1.099 -6.563 714 HA ASP 85 HA ASP 85 13.602 0.900 -8.609 715 1HB ASP 85 2HB ASP 85 12.216 2.891 -8.781 716 2HB ASP 85 1HB ASP 85 12.549 3.304 -7.103 717 H TYR 86 H TYR 86 15.360 0.061 -7.887 718 HA TYR 86 HA TYR 86 16.625 1.362 -5.628 719 1HB TYR 86 2HB TYR 86 17.267 -0.668 -4.472 720 2HB TYR 86 1HB TYR 86 15.522 -0.524 -4.605 721 HD1 TYR 86 1HD TYR 86 15.003 -1.757 -7.269 722 HD2 TYR 86 2HD TYR 86 17.725 -2.867 -4.202 723 HE1 TYR 86 1HE TYR 86 14.877 -4.102 -8.002 724 HE2 TYR 86 2HE TYR 86 17.614 -5.196 -4.935 725 HH TYR 86 HH TYR 86 16.296 -6.170 -7.860 726 H ASP 87 H ASP 87 16.813 0.144 -8.611 727 HA ASP 87 HA ASP 87 18.365 -0.028 -10.214 728 1HB ASP 87 2HB ASP 87 18.445 2.373 -9.752 729 2HB ASP 87 1HB ASP 87 19.750 2.109 -8.600 730 H SER 88 H SER 88 19.114 -2.060 -10.070 731 HA SER 88 HA SER 88 21.481 -2.620 -8.461 732 1HB SER 88 2HB SER 88 19.744 -4.432 -10.139 733 2HB SER 88 1HB SER 88 21.017 -4.949 -9.030 734 HG SER 88 HG SER 88 19.526 -3.389 -7.623 735 H LEU 89 H LEU 89 21.895 -0.868 -10.706 736 HA LEU 89 HA LEU 89 22.993 -2.342 -12.892 737 1HB LEU 89 2HB LEU 89 23.507 0.487 -11.995 738 2HB LEU 89 1HB LEU 89 24.157 -0.216 -13.459 739 HG LEU 89 HG LEU 89 21.256 0.270 -12.851 740 1HD1 LEU 89 1HD1 LEU 89 22.527 2.289 -13.305 741 2HD1 LEU 89 2HD1 LEU 89 21.454 1.915 -14.652 742 3HD1 LEU 89 3HD1 LEU 89 23.180 1.567 -14.774 743 1HD2 LEU 89 1HD2 LEU 89 21.561 -1.749 -14.198 744 2HD2 LEU 89 2HD2 LEU 89 22.584 -0.853 -15.320 745 3HD2 LEU 89 3HD2 LEU 89 20.875 -0.441 -15.163 746 H LYS 90 H LYS 90 24.367 -0.600 -10.177 747 HA LYS 90 HA LYS 90 26.356 -0.490 -9.244 748 1HB LYS 90 2HB LYS 90 25.648 -2.717 -8.448 749 2HB LYS 90 1HB LYS 90 26.422 -3.455 -9.838 750 1HG LYS 90 2HG LYS 90 28.599 -2.740 -9.032 751 2HG LYS 90 1HG LYS 90 27.840 -1.916 -7.666 752 1HD LYS 90 2HD LYS 90 28.741 -4.115 -7.031 753 2HD LYS 90 1HD LYS 90 26.990 -4.041 -6.836 754 1HE LYS 90 2HE LYS 90 26.714 -5.174 -8.993 755 2HE LYS 90 1HE LYS 90 28.466 -5.258 -9.163 756 1HZ LYS 90 1HZ LYS 90 27.464 -7.326 -8.342 757 2HZ LYS 90 2HZ LYS 90 26.933 -6.514 -6.954 758 3HZ LYS 90 3HZ LYS 90 28.579 -6.680 -7.254 759 H LEU 91 H LEU 91 26.933 0.814 -10.960 760 HA LEU 91 HA LEU 91 28.300 0.028 -13.266 761 1HB LEU 91 2HB LEU 91 27.358 2.261 -12.970 762 2HB LEU 91 1HB LEU 91 28.507 2.593 -11.693 763 HG LEU 91 HG LEU 91 30.348 2.403 -13.366 764 1HD1 LEU 91 1HD1 LEU 91 29.247 1.020 -15.019 765 2HD1 LEU 91 2HD1 LEU 91 29.802 2.532 -15.740 766 3HD1 LEU 91 3HD1 LEU 91 28.095 2.311 -15.356 767 1HD2 LEU 91 1HD2 LEU 91 29.465 4.559 -12.704 768 2HD2 LEU 91 2HD2 LEU 91 28.226 4.449 -13.954 769 3HD2 LEU 91 3HD2 LEU 91 29.928 4.564 -14.404 770 H LYS 92 H LYS 92 30.194 -0.788 -13.524 771 HA LYS 92 HA LYS 92 31.990 -1.078 -11.308 772 1HB LYS 92 2HB LYS 92 32.332 -1.824 -14.214 773 2HB LYS 92 1HB LYS 92 33.442 -2.255 -12.924 774 1HG LYS 92 2HG LYS 92 31.653 -3.542 -11.841 775 2HG LYS 92 1HG LYS 92 30.579 -3.148 -13.184 776 1HD LYS 92 2HD LYS 92 32.124 -4.251 -14.730 777 2HD LYS 92 1HD LYS 92 33.182 -4.651 -13.378 778 1HE LYS 92 2HE LYS 92 31.409 -5.995 -12.378 779 2HE LYS 92 1HE LYS 92 30.329 -5.574 -13.708 780 1HZ LYS 92 1HZ LYS 92 31.927 -6.618 -15.220 781 2HZ LYS 92 2HZ LYS 92 31.229 -7.695 -14.149 782 3HZ LYS 92 3HZ LYS 92 32.837 -7.160 -13.890 783 H LYS 93 H LYS 93 33.535 0.225 -10.791 784 HA LYS 93 HA LYS 93 34.746 1.956 -12.788 785 1HB LYS 93 2HB LYS 93 34.587 3.908 -11.269 786 2HB LYS 93 1HB LYS 93 33.014 3.361 -11.822 787 1HG LYS 93 2HG LYS 93 32.546 2.348 -9.707 788 2HG LYS 93 1HG LYS 93 34.194 2.631 -9.152 789 1HD LYS 93 2HD LYS 93 32.222 4.804 -9.864 790 2HD LYS 93 1HD LYS 93 32.549 4.243 -8.223 791 1HE LYS 93 2HE LYS 93 34.926 4.884 -8.524 792 2HE LYS 93 1HE LYS 93 34.526 5.526 -10.116 793 1HZ LYS 93 1HZ LYS 93 33.094 7.141 -9.105 794 2HZ LYS 93 2HZ LYS 93 34.592 7.257 -8.349 795 3HZ LYS 93 3HZ LYS 93 33.303 6.464 -7.582 796 H ASP 94 H ASP 94 36.580 3.171 -11.612 797 HA ASP 94 HA ASP 94 37.918 1.303 -9.793 798 1HB ASP 94 2HB ASP 94 40.065 1.987 -10.746 799 2HB ASP 94 1HB ASP 94 39.025 1.430 -12.039 800 H LEU 95 H LEU 95 40.013 3.254 -9.126 801 HA LEU 95 HA LEU 95 38.402 4.705 -7.270 802 1HB LEU 95 2HB LEU 95 41.379 4.686 -7.701 803 2HB LEU 95 1HB LEU 95 40.580 5.628 -6.457 804 HG LEU 95 HG LEU 95 40.573 2.620 -6.669 805 1HD1 LEU 95 1HD1 LEU 95 42.714 3.526 -5.979 806 2HD1 LEU 95 2HD1 LEU 95 41.903 2.724 -4.633 807 3HD1 LEU 95 3HD1 LEU 95 41.917 4.484 -4.734 808 1HD2 LEU 95 1HD2 LEU 95 39.384 4.444 -4.582 809 2HD2 LEU 95 2HD2 LEU 95 39.457 2.684 -4.494 810 3HD2 LEU 95 3HD2 LEU 95 38.481 3.464 -5.740 811 H GLU 96 H GLU 96 37.344 6.313 -7.864 812 HA GLU 96 HA GLU 96 38.620 8.542 -9.187 813 1HB GLU 96 2HB GLU 96 37.490 7.014 -10.926 814 2HB GLU 96 1HB GLU 96 35.972 7.441 -10.149 815 1HG GLU 96 2HG GLU 96 36.291 8.808 -12.092 816 2HG GLU 96 1HG GLU 96 36.424 9.811 -10.648 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 0.405 17.675 18.951 2 2H GLU 1 2HT GLU 1 -1.176 18.028 19.431 3 3H GLU 1 3HT GLU 1 -0.052 19.282 19.223 4 HA GLU 1 HA GLU 1 -1.578 19.196 17.398 5 1HB GLU 1 2HB GLU 1 0.005 19.187 15.569 6 2HB GLU 1 1HB GLU 1 0.778 19.898 16.972 7 1HG GLU 1 2HG GLU 1 1.195 17.072 15.989 8 2HG GLU 1 1HG GLU 1 2.275 18.431 15.683 9 H LYS 2 H LYS 2 -0.672 16.124 18.544 10 HA LYS 2 HA LYS 2 -1.575 14.825 16.128 11 1HB LYS 2 2HB LYS 2 0.476 14.053 17.463 12 2HB LYS 2 1HB LYS 2 -0.638 13.535 18.708 13 1HG LYS 2 2HG LYS 2 -0.659 12.474 15.874 14 2HG LYS 2 1HG LYS 2 0.212 11.721 17.201 15 1HD LYS 2 2HD LYS 2 -1.932 11.408 18.385 16 2HD LYS 2 1HD LYS 2 -2.771 12.129 17.013 17 1HE LYS 2 2HE LYS 2 -2.015 10.344 15.570 18 2HE LYS 2 1HE LYS 2 -1.054 9.659 16.879 19 1HZ LYS 2 1HZ LYS 2 -4.027 9.824 16.768 20 2HZ LYS 2 2HZ LYS 2 -3.154 9.354 18.122 21 3HZ LYS 2 3HZ LYS 2 -3.074 8.439 16.699 22 H LYS 3 H LYS 3 -3.628 15.196 16.031 23 HA LYS 3 HA LYS 3 -5.347 14.263 18.224 24 1HB LYS 3 2HB LYS 3 -5.736 16.619 17.715 25 2HB LYS 3 1HB LYS 3 -5.866 16.265 16.002 26 1HG LYS 3 2HG LYS 3 -7.952 15.068 16.388 27 2HG LYS 3 1HG LYS 3 -7.806 15.350 18.127 28 1HD LYS 3 2HD LYS 3 -7.981 17.722 17.811 29 2HD LYS 3 1HD LYS 3 -7.925 17.539 16.062 30 1HE LYS 3 2HE LYS 3 -10.198 17.985 16.848 31 2HE LYS 3 1HE LYS 3 -10.079 16.404 16.093 32 1HZ LYS 3 1HZ LYS 3 -9.990 16.800 19.048 33 2HZ LYS 3 2HZ LYS 3 -10.229 15.342 18.192 34 3HZ LYS 3 3HZ LYS 3 -11.396 16.541 18.170 35 H GLU 4 H GLU 4 -5.382 14.718 14.731 36 HA GLU 4 HA GLU 4 -5.253 12.203 13.793 37 1HB GLU 4 2HB GLU 4 -7.602 11.647 13.223 38 2HB GLU 4 1HB GLU 4 -7.345 11.637 14.960 39 1HG GLU 4 2HG GLU 4 -8.389 13.830 15.127 40 2HG GLU 4 1HG GLU 4 -8.627 13.854 13.379 41 H GLN 5 H GLN 5 -5.451 12.257 11.552 42 HA GLN 5 HA GLN 5 -5.243 14.688 10.221 43 1HB GLN 5 2HB GLN 5 -4.431 12.601 9.277 44 2HB GLN 5 1HB GLN 5 -6.053 11.940 9.245 45 1HG GLN 5 2HG GLN 5 -6.683 13.457 7.497 46 2HG GLN 5 1HG GLN 5 -5.132 14.286 7.607 47 1HE2 GLN 5 1HE2 GLN 5 -4.748 13.839 5.443 48 2HE2 GLN 5 2HE2 GLN 5 -4.248 12.272 4.893 49 H LYS 6 H LYS 6 -6.706 16.034 9.297 50 HA LYS 6 HA LYS 6 -9.120 16.413 10.505 51 1HB LYS 6 2HB LYS 6 -9.676 18.078 8.851 52 2HB LYS 6 1HB LYS 6 -7.978 18.179 9.275 53 1HG LYS 6 2HG LYS 6 -7.336 17.201 7.197 54 2HG LYS 6 1HG LYS 6 -9.017 16.820 6.803 55 1HD LYS 6 2HD LYS 6 -9.504 19.267 6.880 56 2HD LYS 6 1HD LYS 6 -7.770 19.552 7.055 57 1HE LYS 6 2HE LYS 6 -8.525 19.795 4.724 58 2HE LYS 6 1HE LYS 6 -7.354 18.493 4.913 59 1HZ LYS 6 1HZ LYS 6 -10.290 18.064 4.857 60 2HZ LYS 6 2HZ LYS 6 -9.070 16.876 4.752 61 3HZ LYS 6 3HZ LYS 6 -9.316 17.932 3.492 62 H GLU 7 H GLU 7 -8.667 14.605 7.531 63 HA GLU 7 HA GLU 7 -11.304 13.507 7.937 64 1HB GLU 7 2HB GLU 7 -11.692 15.448 6.472 65 2HB GLU 7 1HB GLU 7 -10.514 14.820 5.333 66 1HG GLU 7 2HG GLU 7 -11.934 12.865 4.954 67 2HG GLU 7 1HG GLU 7 -13.116 13.513 6.092 68 H LYS 8 H LYS 8 -10.578 11.521 8.229 69 HA LYS 8 HA LYS 8 -9.019 10.349 6.026 70 1HB LYS 8 2HB LYS 8 -9.487 9.213 8.805 71 2HB LYS 8 1HB LYS 8 -8.612 8.403 7.526 72 1HG LYS 8 2HG LYS 8 -6.887 10.118 7.604 73 2HG LYS 8 1HG LYS 8 -7.792 10.969 8.860 74 1HD LYS 8 2HD LYS 8 -6.008 9.642 9.859 75 2HD LYS 8 1HD LYS 8 -7.581 9.009 10.330 76 1HE LYS 8 2HE LYS 8 -7.359 7.279 8.552 77 2HE LYS 8 1HE LYS 8 -5.740 7.890 8.211 78 1HZ LYS 8 1HZ LYS 8 -5.110 7.333 10.499 79 2HZ LYS 8 2HZ LYS 8 -5.601 5.986 9.664 80 3HZ LYS 8 3HZ LYS 8 -6.654 6.703 10.790 81 H GLU 9 H GLU 9 -11.178 8.902 8.388 82 HA GLU 9 HA GLU 9 -12.817 7.373 8.228 83 1HB GLU 9 2HB GLU 9 -13.791 9.298 6.116 84 2HB GLU 9 1HB GLU 9 -14.786 8.131 6.979 85 1HG GLU 9 2HG GLU 9 -14.196 9.267 9.099 86 2HG GLU 9 1HG GLU 9 -13.326 10.477 8.161 87 H LYS 10 H LYS 10 -10.571 6.834 6.662 88 HA LYS 10 HA LYS 10 -11.680 4.978 4.695 89 1HB LYS 10 2HB LYS 10 -10.523 7.093 3.709 90 2HB LYS 10 1HB LYS 10 -9.043 6.468 4.395 91 1HG LYS 10 2HG LYS 10 -10.636 4.841 2.444 92 2HG LYS 10 1HG LYS 10 -9.576 6.121 1.888 93 1HD LYS 10 2HD LYS 10 -7.679 4.950 3.032 94 2HD LYS 10 1HD LYS 10 -8.794 3.628 3.414 95 1HE LYS 10 2HE LYS 10 -9.229 3.233 1.076 96 2HE LYS 10 1HE LYS 10 -8.297 4.653 0.620 97 1HZ LYS 10 1HZ LYS 10 -7.215 2.110 1.766 98 2HZ LYS 10 2HZ LYS 10 -6.299 3.506 1.456 99 3HZ LYS 10 3HZ LYS 10 -7.057 2.696 0.197 100 H LYS 11 H LYS 11 -11.660 3.594 6.436 101 HA LYS 11 HA LYS 11 -9.230 3.194 7.949 102 1HB LYS 11 2HB LYS 11 -11.948 1.902 8.136 103 2HB LYS 11 1HB LYS 11 -10.604 1.578 9.223 104 1HG LYS 11 2HG LYS 11 -10.645 3.868 10.002 105 2HG LYS 11 1HG LYS 11 -11.923 4.261 8.852 106 1HD LYS 11 2HD LYS 11 -13.427 2.702 9.948 107 2HD LYS 11 1HD LYS 11 -12.148 2.214 11.056 108 1HE LYS 11 2HE LYS 11 -13.729 3.787 12.090 109 2HE LYS 11 1HE LYS 11 -12.094 4.434 12.023 110 1HZ LYS 11 1HZ LYS 11 -14.193 5.115 10.011 111 2HZ LYS 11 2HZ LYS 11 -12.679 5.865 10.272 112 3HZ LYS 11 3HZ LYS 11 -13.898 6.007 11.401 113 H GLU 12 H GLU 12 -7.748 1.811 7.371 114 HA GLU 12 HA GLU 12 -8.598 -0.643 6.041 115 1HB GLU 12 2HB GLU 12 -7.425 1.255 4.592 116 2HB GLU 12 1HB GLU 12 -5.993 0.679 5.401 117 1HG GLU 12 2HG GLU 12 -6.143 -1.442 4.465 118 2HG GLU 12 1HG GLU 12 -7.807 -1.188 3.943 119 H GLN 13 H GLN 13 -8.519 -0.776 8.555 120 HA GLN 13 HA GLN 13 -5.928 -0.980 9.768 121 1HB GLN 13 2HB GLN 13 -7.978 -0.269 11.001 122 2HB GLN 13 1HB GLN 13 -8.607 -1.901 10.832 123 1HG GLN 13 2HG GLN 13 -6.751 -2.755 12.163 124 2HG GLN 13 1HG GLN 13 -6.111 -1.123 12.319 125 1HE2 GLN 13 1HE2 GLN 13 -8.576 -3.322 13.287 126 2HE2 GLN 13 2HE2 GLN 13 -9.186 -2.376 14.601 127 H GLU 14 H GLU 14 -7.779 -2.984 7.891 128 HA GLU 14 HA GLU 14 -7.248 -5.570 8.834 129 1HB GLU 14 2HB GLU 14 -7.604 -4.618 5.985 130 2HB GLU 14 1HB GLU 14 -7.519 -6.303 6.447 131 1HG GLU 14 2HG GLU 14 -9.804 -5.655 6.078 132 2HG GLU 14 1HG GLU 14 -9.561 -6.026 7.778 133 H ILE 15 H ILE 15 -5.257 -3.316 7.133 134 HA ILE 15 HA ILE 15 -3.405 -5.157 6.061 135 HB ILE 15 HB ILE 15 -2.050 -3.249 5.445 136 1HG1 ILE 15 2HG1 ILE 15 -3.306 -0.925 6.245 137 2HG1 ILE 15 1HG1 ILE 15 -3.440 -1.934 7.683 138 1HG2 ILE 15 1HG2 ILE 15 -4.048 -3.650 4.161 139 2HG2 ILE 15 2HG2 ILE 15 -3.694 -1.921 4.231 140 3HG2 ILE 15 3HG2 ILE 15 -4.976 -2.602 5.235 141 1HD1 ILE 15 1HD1 ILE 15 -1.034 -2.217 7.720 142 2HD1 ILE 15 2HD1 ILE 15 -1.502 -0.512 7.769 143 3HD1 ILE 15 3HD1 ILE 15 -0.898 -1.216 6.269 144 H LYS 16 H LYS 16 -3.747 -3.623 9.072 145 HA LYS 16 HA LYS 16 -1.062 -3.900 9.978 146 1HB LYS 16 2HB LYS 16 -3.532 -3.478 11.662 147 2HB LYS 16 1HB LYS 16 -1.887 -2.956 12.010 148 1HG LYS 16 2HG LYS 16 -1.972 -1.303 10.270 149 2HG LYS 16 1HG LYS 16 -3.533 -1.898 9.715 150 1HD LYS 16 2HD LYS 16 -4.037 0.022 10.952 151 2HD LYS 16 1HD LYS 16 -4.382 -1.314 12.044 152 1HE LYS 16 2HE LYS 16 -3.220 0.408 13.249 153 2HE LYS 16 1HE LYS 16 -2.148 -0.981 13.066 154 1HZ LYS 16 1HZ LYS 16 -2.113 1.375 11.270 155 2HZ LYS 16 2HZ LYS 16 -0.960 0.125 11.350 156 3HZ LYS 16 3HZ LYS 16 -1.134 1.225 12.628 157 H LYS 17 H LYS 17 -3.952 -5.683 9.957 158 HA LYS 17 HA LYS 17 -3.129 -7.670 11.915 159 1HB LYS 17 2HB LYS 17 -5.408 -6.750 11.935 160 2HB LYS 17 1HB LYS 17 -5.648 -7.292 10.286 161 1HG LYS 17 2HG LYS 17 -5.549 -9.607 11.020 162 2HG LYS 17 1HG LYS 17 -5.235 -9.081 12.675 163 1HD LYS 17 2HD LYS 17 -7.377 -7.923 12.728 164 2HD LYS 17 1HD LYS 17 -7.686 -8.404 11.060 165 1HE LYS 17 2HE LYS 17 -8.897 -9.823 12.623 166 2HE LYS 17 1HE LYS 17 -7.690 -10.748 11.734 167 1HZ LYS 17 1HZ LYS 17 -7.772 -11.285 14.091 168 2HZ LYS 17 2HZ LYS 17 -7.307 -9.713 14.507 169 3HZ LYS 17 3HZ LYS 17 -6.258 -10.725 13.631 170 H LYS 18 H LYS 18 -2.749 -7.099 8.645 171 HA LYS 18 HA LYS 18 -2.964 -9.915 7.862 172 1HB LYS 18 2HB LYS 18 -4.020 -8.079 6.520 173 2HB LYS 18 1HB LYS 18 -2.399 -7.526 6.129 174 1HG LYS 18 2HG LYS 18 -3.017 -8.787 4.280 175 2HG LYS 18 1HG LYS 18 -2.021 -9.898 5.221 176 1HD LYS 18 2HD LYS 18 -4.025 -11.020 4.407 177 2HD LYS 18 1HD LYS 18 -4.056 -10.896 6.171 178 1HE LYS 18 2HE LYS 18 -5.527 -8.948 6.022 179 2HE LYS 18 1HE LYS 18 -5.460 -9.021 4.266 180 1HZ LYS 18 1HZ LYS 18 -6.523 -11.196 5.967 181 2HZ LYS 18 2HZ LYS 18 -6.608 -11.099 4.292 182 3HZ LYS 18 3HZ LYS 18 -7.480 -10.010 5.259 183 H PHE 19 H PHE 19 -0.738 -7.210 7.162 184 HA PHE 19 HA PHE 19 1.298 -9.085 6.393 185 1HB PHE 19 2HB PHE 19 0.834 -6.896 5.206 186 2HB PHE 19 1HB PHE 19 1.523 -6.075 6.596 187 HD1 PHE 19 1HD PHE 19 3.980 -6.607 7.164 188 HD2 PHE 19 2HD PHE 19 2.188 -7.617 3.444 189 HE1 PHE 19 1HE PHE 19 6.198 -6.737 6.139 190 HE2 PHE 19 2HE PHE 19 4.416 -7.748 2.417 191 HZ PHE 19 HZ PHE 19 6.434 -7.291 3.773 192 H LYS 20 H LYS 20 0.567 -7.062 9.108 193 HA LYS 20 HA LYS 20 1.368 -6.895 11.228 194 1HB LYS 20 2HB LYS 20 3.465 -8.953 10.487 195 2HB LYS 20 1HB LYS 20 3.119 -8.373 12.104 196 1HG LYS 20 2HG LYS 20 1.029 -9.500 12.140 197 2HG LYS 20 1HG LYS 20 1.139 -9.874 10.417 198 1HD LYS 20 2HD LYS 20 3.198 -10.829 12.388 199 2HD LYS 20 1HD LYS 20 1.724 -11.734 12.082 200 1HE LYS 20 2HE LYS 20 3.594 -12.612 10.762 201 2HE LYS 20 1HE LYS 20 2.335 -11.971 9.725 202 1HZ LYS 20 1HZ LYS 20 3.725 -10.048 9.237 203 2HZ LYS 20 2HZ LYS 20 4.656 -11.432 9.024 204 3HZ LYS 20 3HZ LYS 20 4.891 -10.503 10.352 205 H LEU 21 H LEU 21 1.985 -4.830 10.989 206 HA LEU 21 HA LEU 21 4.653 -4.383 9.912 207 1HB LEU 21 2HB LEU 21 2.519 -2.317 10.516 208 2HB LEU 21 1HB LEU 21 4.041 -2.054 9.722 209 HG LEU 21 HG LEU 21 2.593 -2.061 7.925 210 1HD1 LEU 21 1HD1 LEU 21 4.429 -3.504 7.517 211 2HD1 LEU 21 2HD1 LEU 21 2.983 -4.102 6.686 212 3HD1 LEU 21 3HD1 LEU 21 3.532 -4.872 8.173 213 1HD2 LEU 21 1HD2 LEU 21 1.113 -4.474 9.031 214 2HD2 LEU 21 2HD2 LEU 21 0.816 -3.707 7.491 215 3HD2 LEU 21 3HD2 LEU 21 0.493 -2.818 8.967 216 H THR 22 H THR 22 2.614 -3.578 12.596 217 HA THR 22 HA THR 22 2.931 -3.105 14.737 218 HB THR 22 HB THR 22 4.734 -4.360 15.952 219 HG1 THR 22 1HG THR 22 5.720 -4.544 13.406 220 1HG2 THR 22 1HG2 THR 22 3.829 -6.572 15.384 221 2HG2 THR 22 2HG2 THR 22 3.136 -5.894 13.908 222 3HG2 THR 22 3HG2 THR 22 2.555 -5.352 15.481 223 H GLY 23 H GLY 23 4.201 -1.210 12.823 224 1HA GLY 23 2HA GLY 23 5.279 0.538 14.730 225 2HA GLY 23 1HA GLY 23 6.572 -0.171 13.765 226 HA PRO 24 HA PRO 24 4.106 3.088 11.317 227 1HB PRO 24 2HB PRO 24 5.364 5.383 12.558 228 2HB PRO 24 1HB PRO 24 3.643 5.009 12.449 229 1HG PRO 24 2HG PRO 24 5.063 4.986 14.793 230 2HG PRO 24 1HG PRO 24 3.598 4.029 14.515 231 1HD PRO 24 2HD PRO 24 6.463 3.184 14.420 232 2HD PRO 24 1HD PRO 24 5.048 2.312 15.051 233 H ILE 25 H ILE 25 5.426 2.366 9.710 234 HA ILE 25 HA ILE 25 7.972 3.755 9.453 235 HB ILE 25 HB ILE 25 8.617 1.842 7.851 236 1HG1 ILE 25 2HG1 ILE 25 7.593 -0.395 8.472 237 2HG1 ILE 25 1HG1 ILE 25 6.337 0.480 9.328 238 1HG2 ILE 25 1HG2 ILE 25 9.687 2.172 9.965 239 2HG2 ILE 25 2HG2 ILE 25 9.438 0.446 9.696 240 3HG2 ILE 25 3HG2 ILE 25 8.384 1.329 10.799 241 1HD1 ILE 25 1HD1 ILE 25 5.618 1.483 7.224 242 2HD1 ILE 25 2HD1 ILE 25 5.575 -0.282 7.154 243 3HD1 ILE 25 3HD1 ILE 25 6.890 0.604 6.376 244 H GLN 26 H GLN 26 8.689 4.074 7.170 245 HA GLN 26 HA GLN 26 6.352 4.780 5.543 246 1HB GLN 26 2HB GLN 26 7.338 6.876 4.924 247 2HB GLN 26 1HB GLN 26 7.335 6.777 6.673 248 1HG GLN 26 2HG GLN 26 9.719 6.151 6.607 249 2HG GLN 26 1HG GLN 26 9.691 6.350 4.853 250 1HE2 GLN 26 1HE2 GLN 26 11.068 8.035 4.728 251 2HE2 GLN 26 2HE2 GLN 26 10.704 9.607 5.342 252 H VAL 27 H VAL 27 7.522 5.643 3.291 253 HA VAL 27 HA VAL 27 8.081 3.370 1.875 254 HB VAL 27 HB VAL 27 7.317 5.335 0.786 255 1HG1 VAL 27 1HG1 VAL 27 10.001 6.519 1.402 256 2HG1 VAL 27 2HG1 VAL 27 8.451 7.024 2.105 257 3HG1 VAL 27 3HG1 VAL 27 8.777 7.266 0.372 258 1HG2 VAL 27 1HG2 VAL 27 10.058 4.640 -0.228 259 2HG2 VAL 27 2HG2 VAL 27 8.806 5.476 -1.147 260 3HG2 VAL 27 3HG2 VAL 27 8.552 3.813 -0.618 261 H ILE 28 H ILE 28 9.760 2.200 1.443 262 HA ILE 28 HA ILE 28 12.450 3.001 2.257 263 HB ILE 28 HB ILE 28 11.237 0.325 1.501 264 1HG1 ILE 28 2HG1 ILE 28 12.304 -0.424 3.664 265 2HG1 ILE 28 1HG1 ILE 28 12.738 1.252 3.955 266 1HG2 ILE 28 1HG2 ILE 28 13.320 0.356 0.314 267 2HG2 ILE 28 2HG2 ILE 28 13.418 -0.760 1.677 268 3HG2 ILE 28 3HG2 ILE 28 14.186 0.827 1.781 269 1HD1 ILE 28 1HD1 ILE 28 9.961 0.143 3.700 270 2HD1 ILE 28 2HD1 ILE 28 10.377 1.833 3.993 271 3HD1 ILE 28 3HD1 ILE 28 10.777 0.603 5.195 272 H HIS 29 H HIS 29 10.464 2.482 -0.557 273 HA HIS 29 HA HIS 29 12.429 3.481 -2.399 274 1HB HIS 29 2HB HIS 29 11.696 0.559 -2.534 275 2HB HIS 29 1HB HIS 29 12.194 1.449 -3.949 276 HD1 HIS 29 1HD HIS 29 13.466 -0.794 -1.520 277 HD2 HIS 29 2HD HIS 29 14.988 2.602 -3.380 278 HE1 HIS 29 1HE HIS 29 15.957 -0.978 -1.348 279 HE2 HIS 29 2HE HIS 29 16.767 0.807 -2.881 280 H LEU 30 H LEU 30 11.512 3.745 -4.511 281 HA LEU 30 HA LEU 30 8.599 3.873 -4.339 282 1HB LEU 30 2HB LEU 30 10.445 5.151 -6.392 283 2HB LEU 30 1HB LEU 30 8.701 5.303 -6.329 284 HG LEU 30 HG LEU 30 9.592 7.327 -5.555 285 1HD1 LEU 30 1HD1 LEU 30 7.669 6.615 -4.346 286 2HD1 LEU 30 2HD1 LEU 30 8.753 7.507 -3.276 287 3HD1 LEU 30 3HD1 LEU 30 8.671 5.747 -3.182 288 1HD2 LEU 30 1HD2 LEU 30 11.863 6.657 -5.026 289 2HD2 LEU 30 2HD2 LEU 30 11.302 5.768 -3.612 290 3HD2 LEU 30 3HD2 LEU 30 11.157 7.527 -3.662 291 H ALA 31 H ALA 31 7.609 2.311 -5.157 292 HA ALA 31 HA ALA 31 8.821 0.651 -7.220 293 1HB ALA 31 1HB ALA 31 7.866 -0.538 -5.258 294 2HB ALA 31 2HB ALA 31 7.122 -0.984 -6.792 295 3HB ALA 31 3HB ALA 31 6.275 0.101 -5.706 296 H LYS 32 H LYS 32 7.815 0.100 -8.997 297 HA LYS 32 HA LYS 32 5.884 2.050 -9.991 298 1HB LYS 32 2HB LYS 32 8.049 1.977 -11.159 299 2HB LYS 32 1HB LYS 32 7.887 0.246 -11.370 300 1HG LYS 32 2HG LYS 32 5.990 0.604 -12.862 301 2HG LYS 32 1HG LYS 32 6.127 2.350 -12.624 302 1HD LYS 32 2HD LYS 32 7.212 1.656 -14.717 303 2HD LYS 32 1HD LYS 32 8.387 2.302 -13.572 304 1HE LYS 32 2HE LYS 32 9.007 0.010 -12.932 305 2HE LYS 32 1HE LYS 32 7.845 -0.625 -14.094 306 1HZ LYS 32 1HZ LYS 32 9.135 0.522 -15.853 307 2HZ LYS 32 2HZ LYS 32 10.015 -0.671 -15.063 308 3HZ LYS 32 3HZ LYS 32 10.293 0.948 -14.692 309 H ALA 33 H ALA 33 3.835 1.221 -10.254 310 HA ALA 33 HA ALA 33 3.258 -1.493 -9.870 311 1HB ALA 33 1HB ALA 33 1.579 0.285 -9.699 312 2HB ALA 33 2HB ALA 33 1.119 -0.939 -10.883 313 3HB ALA 33 3HB ALA 33 1.758 0.607 -11.425 314 H CYS 34 H CYS 34 3.890 -3.042 -11.080 315 HA CYS 34 HA CYS 34 4.863 -2.611 -13.751 316 1HB CYS 34 2HB CYS 34 5.974 -4.098 -12.104 317 2HB CYS 34 1HB CYS 34 4.575 -5.148 -12.137 318 HG CYS 34 HG CYS 34 6.805 -6.187 -13.471 319 H CYS 35 H CYS 35 1.928 -3.514 -12.268 320 HA CYS 35 HA CYS 35 0.769 -4.052 -14.887 321 1HB CYS 35 2HB CYS 35 0.386 -5.874 -12.495 322 2HB CYS 35 1HB CYS 35 -0.437 -6.020 -14.043 323 HG CYS 35 HG CYS 35 2.619 -5.936 -14.797 324 H ASP 36 H ASP 36 -1.499 -3.689 -14.899 325 HA ASP 36 HA ASP 36 -2.410 -2.031 -12.693 326 1HB ASP 36 2HB ASP 36 -4.254 -1.275 -14.083 327 2HB ASP 36 1HB ASP 36 -2.799 -1.187 -15.046 328 H VAL 37 H VAL 37 -3.083 -3.114 -11.097 329 HA VAL 37 HA VAL 37 -4.695 -5.504 -11.619 330 HB VAL 37 HB VAL 37 -2.441 -5.890 -10.558 331 1HG1 VAL 37 1HG1 VAL 37 -2.201 -5.473 -8.183 332 2HG1 VAL 37 2HG1 VAL 37 -3.719 -4.565 -8.213 333 3HG1 VAL 37 3HG1 VAL 37 -2.332 -4.001 -9.145 334 1HG2 VAL 37 1HG2 VAL 37 -3.234 -7.499 -8.915 335 2HG2 VAL 37 2HG2 VAL 37 -4.156 -7.572 -10.417 336 3HG2 VAL 37 3HG2 VAL 37 -4.841 -6.777 -8.987 337 H LYS 38 H LYS 38 -6.368 -5.961 -10.159 338 HA LYS 38 HA LYS 38 -7.632 -3.528 -9.181 339 1HB LYS 38 2HB LYS 38 -9.744 -4.727 -9.265 340 2HB LYS 38 1HB LYS 38 -8.912 -4.875 -10.800 341 1HG LYS 38 2HG LYS 38 -8.890 -7.035 -8.683 342 2HG LYS 38 1HG LYS 38 -10.090 -6.948 -9.964 343 1HD LYS 38 2HD LYS 38 -7.110 -7.155 -10.423 344 2HD LYS 38 1HD LYS 38 -8.208 -8.535 -10.403 345 1HE LYS 38 2HE LYS 38 -9.438 -7.572 -12.291 346 2HE LYS 38 1HE LYS 38 -8.354 -6.182 -12.288 347 1HZ LYS 38 1HZ LYS 38 -7.751 -7.843 -13.977 348 2HZ LYS 38 2HZ LYS 38 -7.446 -8.993 -12.772 349 3HZ LYS 38 3HZ LYS 38 -6.525 -7.603 -12.873 350 H GLY 39 H GLY 39 -5.623 -5.533 -7.790 351 1HA GLY 39 2HA GLY 39 -5.270 -5.892 -5.511 352 2HA GLY 39 1HA GLY 39 -6.896 -5.304 -5.195 353 H GLY 40 H GLY 40 -5.320 -8.049 -6.803 354 1HA GLY 40 2HA GLY 40 -7.650 -9.701 -6.132 355 2HA GLY 40 1HA GLY 40 -6.390 -10.119 -7.288 356 H LYS 41 H LYS 41 -7.495 -11.585 -4.952 357 HA LYS 41 HA LYS 41 -6.847 -12.912 -3.230 358 1HB LYS 41 2HB LYS 41 -4.998 -13.483 -4.893 359 2HB LYS 41 1HB LYS 41 -3.999 -12.277 -4.104 360 1HG LYS 41 2HG LYS 41 -4.181 -13.580 -2.007 361 2HG LYS 41 1HG LYS 41 -5.062 -14.819 -2.899 362 1HD LYS 41 2HD LYS 41 -3.115 -15.058 -4.404 363 2HD LYS 41 1HD LYS 41 -2.241 -13.890 -3.406 364 1HE LYS 41 2HE LYS 41 -1.649 -16.172 -2.796 365 2HE LYS 41 1HE LYS 41 -2.490 -15.364 -1.469 366 1HZ LYS 41 1HZ LYS 41 -3.338 -17.618 -1.795 367 2HZ LYS 41 2HZ LYS 41 -3.707 -17.265 -3.395 368 3HZ LYS 41 3HZ LYS 41 -4.536 -16.491 -2.148 369 H ASN 42 H ASN 42 -7.294 -10.134 -2.897 370 HA ASN 42 HA ASN 42 -7.164 -8.396 -1.526 371 1HB ASN 42 2HB ASN 42 -7.573 -10.178 0.229 372 2HB ASN 42 1HB ASN 42 -5.834 -10.256 0.478 373 1HD2 ASN 42 1HD2 ASN 42 -7.572 -7.206 -0.127 374 2HD2 ASN 42 2HD2 ASN 42 -7.329 -6.610 1.475 375 H GLU 43 H GLU 43 -5.928 -7.190 -2.707 376 HA GLU 43 HA GLU 43 -3.083 -6.930 -2.087 377 1HB GLU 43 2HB GLU 43 -3.591 -8.518 -4.044 378 2HB GLU 43 1HB GLU 43 -4.257 -7.159 -4.857 379 1HG GLU 43 2HG GLU 43 -2.170 -6.111 -5.094 380 2HG GLU 43 1HG GLU 43 -1.400 -7.232 -3.960 381 H LEU 44 H LEU 44 -2.494 -4.875 -3.786 382 HA LEU 44 HA LEU 44 -4.320 -2.757 -2.910 383 1HB LEU 44 2HB LEU 44 -1.581 -2.954 -2.980 384 2HB LEU 44 1HB LEU 44 -1.903 -2.228 -4.529 385 HG LEU 44 HG LEU 44 -2.683 -1.025 -1.865 386 1HD1 LEU 44 1HD1 LEU 44 -0.619 -0.323 -3.851 387 2HD1 LEU 44 2HD1 LEU 44 -0.382 -1.040 -2.231 388 3HD1 LEU 44 3HD1 LEU 44 -1.050 0.609 -2.404 389 1HD2 LEU 44 1HD2 LEU 44 -2.852 0.174 -4.612 390 2HD2 LEU 44 2HD2 LEU 44 -3.156 0.991 -3.082 391 3HD2 LEU 44 3HD2 LEU 44 -4.232 -0.307 -3.608 392 H SER 45 H SER 45 -5.354 -1.493 -4.452 393 HA SER 45 HA SER 45 -5.302 -2.609 -7.081 394 1HB SER 45 2HB SER 45 -7.175 -0.494 -5.997 395 2HB SER 45 1HB SER 45 -7.417 -1.473 -7.443 396 HG SER 45 HG SER 45 -8.025 -3.137 -6.261 397 H PHE 46 H PHE 46 -4.257 -1.622 -8.707 398 HA PHE 46 HA PHE 46 -3.748 1.189 -8.698 399 1HB PHE 46 2HB PHE 46 -1.196 0.826 -8.882 400 2HB PHE 46 1HB PHE 46 -1.915 0.695 -7.278 401 HD1 PHE 46 1HD PHE 46 -1.659 -1.263 -6.031 402 HD2 PHE 46 2HD PHE 46 -0.628 -1.267 -10.144 403 HE1 PHE 46 1HE PHE 46 -0.598 -3.459 -5.758 404 HE2 PHE 46 2HE PHE 46 0.439 -3.466 -9.882 405 HZ PHE 46 HZ PHE 46 0.439 -4.576 -7.694 406 H LYS 47 H LYS 47 -2.165 1.662 -10.599 407 HA LYS 47 HA LYS 47 -2.790 -0.112 -12.830 408 1HB LYS 47 2HB LYS 47 -2.917 2.923 -12.743 409 2HB LYS 47 1HB LYS 47 -3.055 1.959 -14.210 410 1HG LYS 47 2HG LYS 47 -5.105 0.987 -13.468 411 2HG LYS 47 1HG LYS 47 -4.927 1.703 -11.868 412 1HD LYS 47 2HD LYS 47 -6.562 2.928 -13.172 413 2HD LYS 47 1HD LYS 47 -5.153 3.934 -12.859 414 1HE LYS 47 2HE LYS 47 -4.343 3.521 -15.115 415 2HE LYS 47 1HE LYS 47 -5.704 2.440 -15.422 416 1HZ LYS 47 1HZ LYS 47 -6.108 4.674 -16.330 417 2HZ LYS 47 2HZ LYS 47 -5.917 5.338 -14.794 418 3HZ LYS 47 3HZ LYS 47 -7.205 4.315 -15.084 419 H GLN 48 H GLN 48 -1.146 -0.156 -14.378 420 HA GLN 48 HA GLN 48 1.454 -0.148 -13.432 421 1HB GLN 48 2HB GLN 48 0.587 -1.360 -15.467 422 2HB GLN 48 1HB GLN 48 0.607 0.159 -16.330 423 1HG GLN 48 2HG GLN 48 3.079 -1.107 -15.154 424 2HG GLN 48 1HG GLN 48 2.514 -1.433 -16.781 425 1HE2 GLN 48 1HE2 GLN 48 5.010 -0.241 -15.791 426 2HE2 GLN 48 2HE2 GLN 48 5.141 1.283 -16.586 427 H GLY 49 H GLY 49 2.915 1.337 -13.077 428 1HA GLY 49 2HA GLY 49 4.158 3.308 -13.363 429 2HA GLY 49 1HA GLY 49 2.986 3.839 -14.552 430 H GLU 50 H GLU 50 1.303 2.932 -11.815 431 HA GLU 50 HA GLU 50 0.425 5.520 -11.161 432 1HB GLU 50 2HB GLU 50 -0.440 3.026 -10.581 433 2HB GLU 50 1HB GLU 50 0.318 3.412 -9.052 434 1HG GLU 50 2HG GLU 50 -1.924 4.942 -10.368 435 2HG GLU 50 1HG GLU 50 -2.083 3.827 -9.021 436 H GLN 51 H GLN 51 2.983 3.614 -10.029 437 HA GLN 51 HA GLN 51 4.755 3.834 -8.706 438 1HB GLN 51 2HB GLN 51 4.075 6.781 -8.624 439 2HB GLN 51 1HB GLN 51 5.516 6.090 -7.884 440 1HG GLN 51 2HG GLN 51 6.204 5.241 -10.096 441 2HG GLN 51 1HG GLN 51 4.802 6.038 -10.803 442 1HE2 GLN 51 1HE2 GLN 51 4.774 8.271 -10.909 443 2HE2 GLN 51 2HE2 GLN 51 6.207 9.224 -10.732 444 H ILE 52 H ILE 52 4.869 2.925 -7.009 445 HA ILE 52 HA ILE 52 2.870 3.353 -4.895 446 HB ILE 52 HB ILE 52 4.289 0.775 -5.600 447 1HG1 ILE 52 2HG1 ILE 52 1.654 1.824 -6.707 448 2HG1 ILE 52 1HG1 ILE 52 3.115 1.377 -7.562 449 1HG2 ILE 52 1HG2 ILE 52 3.329 0.873 -3.367 450 2HG2 ILE 52 2HG2 ILE 52 2.430 -0.267 -4.370 451 3HG2 ILE 52 3HG2 ILE 52 1.767 1.336 -4.041 452 1HD1 ILE 52 1HD1 ILE 52 1.377 -0.537 -6.060 453 2HD1 ILE 52 2HD1 ILE 52 2.814 -0.927 -7.008 454 3HD1 ILE 52 3HD1 ILE 52 1.378 -0.285 -7.803 455 H GLU 53 H GLU 53 3.846 2.978 -2.747 456 HA GLU 53 HA GLU 53 6.779 3.125 -2.857 457 1HB GLU 53 2HB GLU 53 5.086 3.998 -0.522 458 2HB GLU 53 1HB GLU 53 6.784 4.212 -0.861 459 1HG GLU 53 2HG GLU 53 6.448 5.742 -2.586 460 2HG GLU 53 1HG GLU 53 4.719 5.465 -2.626 461 H ILE 54 H ILE 54 7.892 1.534 -1.923 462 HA ILE 54 HA ILE 54 6.335 -0.574 -0.697 463 HB ILE 54 HB ILE 54 8.032 -1.329 -2.308 464 1HG1 ILE 54 2HG1 ILE 54 9.393 -2.870 -0.847 465 2HG1 ILE 54 1HG1 ILE 54 8.691 -2.048 0.541 466 1HG2 ILE 54 1HG2 ILE 54 10.081 -0.024 -0.577 467 2HG2 ILE 54 2HG2 ILE 54 9.589 0.466 -2.198 468 3HG2 ILE 54 3HG2 ILE 54 10.403 -1.079 -1.953 469 1HD1 ILE 54 1HD1 ILE 54 7.567 -4.081 0.064 470 2HD1 ILE 54 2HD1 ILE 54 7.177 -3.518 -1.564 471 3HD1 ILE 54 3HD1 ILE 54 6.501 -2.695 -0.144 472 H ILE 55 H ILE 55 5.954 -0.522 1.322 473 HA ILE 55 HA ILE 55 7.781 0.938 3.073 474 HB ILE 55 HB ILE 55 5.919 0.840 4.791 475 1HG1 ILE 55 2HG1 ILE 55 4.714 -0.994 3.354 476 2HG1 ILE 55 1HG1 ILE 55 3.690 0.109 4.240 477 1HG2 ILE 55 1HG2 ILE 55 4.682 2.722 3.828 478 2HG2 ILE 55 2HG2 ILE 55 5.409 2.377 2.259 479 3HG2 ILE 55 3HG2 ILE 55 6.426 2.872 3.612 480 1HD1 ILE 55 1HD1 ILE 55 3.475 1.427 2.159 481 2HD1 ILE 55 2HD1 ILE 55 2.881 -0.232 2.013 482 3HD1 ILE 55 3HD1 ILE 55 4.457 0.216 1.345 483 H ARG 56 H ARG 56 6.321 -2.191 2.576 484 HA ARG 56 HA ARG 56 8.194 -3.115 4.563 485 1HB ARG 56 2HB ARG 56 5.278 -3.552 4.649 486 2HB ARG 56 1HB ARG 56 6.327 -4.864 5.158 487 1HG ARG 56 2HG ARG 56 6.642 -2.100 6.243 488 2HG ARG 56 1HG ARG 56 5.524 -3.273 6.983 489 1HD ARG 56 2HD ARG 56 7.485 -4.738 7.237 490 2HD ARG 56 1HD ARG 56 8.486 -3.461 6.552 491 HE ARG 56 HE ARG 56 7.365 -2.168 8.553 492 1HH1 ARG 56 1HH1 ARG 56 8.646 -5.413 8.469 493 2HH1 ARG 56 2HH1 ARG 56 9.317 -5.411 10.036 494 1HH2 ARG 56 1HH2 ARG 56 8.235 -2.100 10.805 495 2HH2 ARG 56 2HH2 ARG 56 9.035 -3.459 11.405 496 H ILE 57 H ILE 57 9.511 -4.187 3.664 497 HA ILE 57 HA ILE 57 8.812 -6.423 1.886 498 HB ILE 57 HB ILE 57 11.345 -6.545 1.529 499 1HG1 ILE 57 2HG1 ILE 57 11.978 -5.034 3.444 500 2HG1 ILE 57 1HG1 ILE 57 12.775 -4.656 1.924 501 1HG2 ILE 57 1HG2 ILE 57 11.425 -4.819 -0.201 502 2HG2 ILE 57 2HG2 ILE 57 9.925 -4.148 0.440 503 3HG2 ILE 57 3HG2 ILE 57 9.947 -5.780 -0.230 504 1HD1 ILE 57 1HD1 ILE 57 11.211 -2.807 1.581 505 2HD1 ILE 57 2HD1 ILE 57 12.056 -2.624 3.140 506 3HD1 ILE 57 3HD1 ILE 57 10.394 -3.232 3.074 507 H THR 58 H THR 58 9.790 -5.417 4.947 508 HA THR 58 HA THR 58 11.020 -7.877 5.751 509 HB THR 58 HB THR 58 11.377 -6.368 7.792 510 HG1 THR 58 1HG THR 58 11.003 -4.152 7.388 511 1HG2 THR 58 1HG2 THR 58 13.123 -6.786 6.088 512 2HG2 THR 58 2HG2 THR 58 13.170 -5.112 6.684 513 3HG2 THR 58 3HG2 THR 58 12.444 -5.473 5.120 514 H ASP 59 H ASP 59 10.005 -9.156 7.240 515 HA ASP 59 HA ASP 59 8.556 -9.999 8.750 516 1HB ASP 59 2HB ASP 59 8.504 -7.526 9.597 517 2HB ASP 59 1HB ASP 59 6.936 -7.408 8.838 518 H ASN 60 H ASN 60 8.309 -9.936 5.892 519 HA ASN 60 HA ASN 60 5.584 -9.733 5.143 520 1HB ASN 60 2HB ASN 60 6.191 -10.883 3.024 521 2HB ASN 60 1HB ASN 60 7.257 -9.542 3.390 522 1HD2 ASN 60 1HD2 ASN 60 9.433 -9.935 3.617 523 2HD2 ASN 60 2HD2 ASN 60 10.134 -11.490 3.386 524 HA PRO 61 HA PRO 61 4.216 -13.573 6.829 525 1HB PRO 61 2HB PRO 61 1.603 -13.325 6.211 526 2HB PRO 61 1HB PRO 61 2.366 -12.395 7.503 527 1HG PRO 61 2HG PRO 61 1.604 -11.547 4.753 528 2HG PRO 61 1HG PRO 61 1.567 -10.629 6.266 529 1HD PRO 61 2HD PRO 61 3.545 -10.444 4.322 530 2HD PRO 61 1HD PRO 61 3.716 -9.926 6.008 531 H GLU 62 H GLU 62 3.083 -12.678 3.567 532 HA GLU 62 HA GLU 62 2.766 -15.528 2.913 533 1HB GLU 62 2HB GLU 62 1.985 -13.111 1.288 534 2HB GLU 62 1HB GLU 62 1.566 -14.781 0.951 535 1HG GLU 62 2HG GLU 62 0.605 -13.079 3.226 536 2HG GLU 62 1HG GLU 62 -0.322 -13.659 1.849 537 H GLY 63 H GLY 63 5.101 -13.228 2.714 538 1HA GLY 63 2HA GLY 63 7.165 -13.507 1.564 539 2HA GLY 63 1HA GLY 63 6.322 -14.468 0.347 540 H LYS 64 H LYS 64 4.151 -12.524 0.454 541 HA LYS 64 HA LYS 64 4.891 -10.850 -1.705 542 1HB LYS 64 2HB LYS 64 2.611 -10.167 -1.704 543 2HB LYS 64 1HB LYS 64 2.593 -11.870 -1.254 544 1HG LYS 64 2HG LYS 64 2.491 -11.018 1.139 545 2HG LYS 64 1HG LYS 64 2.141 -9.444 0.433 546 1HD LYS 64 2HD LYS 64 0.476 -11.966 0.261 547 2HD LYS 64 1HD LYS 64 0.029 -10.428 0.993 548 1HE LYS 64 2HE LYS 64 0.233 -9.434 -1.338 549 2HE LYS 64 1HE LYS 64 0.341 -11.098 -1.916 550 1HZ LYS 64 1HZ LYS 64 -1.982 -9.804 -0.576 551 2HZ LYS 64 2HZ LYS 64 -1.870 -11.461 -0.735 552 3HZ LYS 64 3HZ LYS 64 -1.901 -10.487 -2.111 553 H TRP 65 H TRP 65 4.497 -8.430 -1.589 554 HA TRP 65 HA TRP 65 5.932 -7.384 0.773 555 1HB TRP 65 2HB TRP 65 5.723 -6.435 -2.065 556 2HB TRP 65 1HB TRP 65 6.299 -5.377 -0.797 557 HD1 TRP 65 HD TRP 65 7.945 -8.047 0.535 558 HE1 TRP 65 1HE TRP 65 10.216 -8.589 -0.522 559 HE3 TRP 65 3HE TRP 65 7.404 -5.528 -3.913 560 HZ2 TRP 65 2HZ TRP 65 11.606 -8.021 -2.921 561 HZ3 TRP 65 3HZ TRP 65 9.256 -5.580 -5.508 562 HH2 TRP 65 HH TRP 65 11.311 -6.795 -5.029 563 H LEU 66 H LEU 66 5.412 -4.965 1.116 564 HA LEU 66 HA LEU 66 2.502 -4.626 0.920 565 1HB LEU 66 2HB LEU 66 3.190 -4.946 3.250 566 2HB LEU 66 1HB LEU 66 4.361 -3.650 3.091 567 HG LEU 66 HG LEU 66 2.504 -2.061 2.695 568 1HD1 LEU 66 1HD1 LEU 66 0.840 -3.589 1.872 569 2HD1 LEU 66 2HD1 LEU 66 0.256 -2.698 3.284 570 3HD1 LEU 66 3HD1 LEU 66 0.769 -4.383 3.452 571 1HD2 LEU 66 1HD2 LEU 66 3.484 -2.299 4.889 572 2HD2 LEU 66 2HD2 LEU 66 2.364 -3.609 5.259 573 3HD2 LEU 66 3HD2 LEU 66 1.756 -1.974 4.998 574 H GLY 67 H GLY 67 2.061 -3.120 -0.510 575 1HA GLY 67 2HA GLY 67 3.934 -0.894 -0.732 576 2HA GLY 67 1HA GLY 67 2.974 -1.510 -2.088 577 H ARG 68 H ARG 68 2.997 1.153 -1.135 578 HA ARG 68 HA ARG 68 0.140 1.416 -0.513 579 1HB ARG 68 2HB ARG 68 1.272 1.683 1.563 580 2HB ARG 68 1HB ARG 68 2.388 2.893 0.915 581 1HG ARG 68 2HG ARG 68 0.261 4.283 0.558 582 2HG ARG 68 1HG ARG 68 -0.571 3.138 1.600 583 1HD ARG 68 2HD ARG 68 0.164 4.369 3.307 584 2HD ARG 68 1HD ARG 68 1.767 3.716 2.972 585 HE ARG 68 HE ARG 68 0.758 6.346 2.423 586 1HH1 ARG 68 1HH1 ARG 68 3.431 4.077 1.708 587 2HH1 ARG 68 2HH1 ARG 68 4.428 5.359 1.122 588 1HH2 ARG 68 1HH2 ARG 68 2.245 7.984 1.657 589 2HH2 ARG 68 2HH2 ARG 68 3.799 7.506 1.147 590 H THR 69 H THR 69 -0.742 3.177 -1.275 591 HA THR 69 HA THR 69 0.713 4.491 -3.427 592 HB THR 69 HB THR 69 -1.652 5.206 -4.043 593 HG1 THR 69 1HG THR 69 -3.287 3.980 -3.056 594 1HG2 THR 69 1HG2 THR 69 -2.190 3.018 -5.030 595 2HG2 THR 69 2HG2 THR 69 -1.030 2.244 -3.949 596 3HG2 THR 69 3HG2 THR 69 -0.468 3.367 -5.187 597 H ALA 70 H ALA 70 0.040 6.807 -3.743 598 HA ALA 70 HA ALA 70 1.065 8.320 -1.678 599 1HB ALA 70 1HB ALA 70 1.062 8.979 -4.027 600 2HB ALA 70 2HB ALA 70 0.443 10.256 -2.977 601 3HB ALA 70 3HB ALA 70 -0.672 9.282 -3.937 602 H ARG 71 H ARG 71 -2.275 7.487 -2.263 603 HA ARG 71 HA ARG 71 -3.038 9.402 -0.215 604 1HB ARG 71 2HB ARG 71 -5.374 9.109 -0.885 605 2HB ARG 71 1HB ARG 71 -4.321 9.451 -2.245 606 1HG ARG 71 2HG ARG 71 -5.936 7.885 -2.988 607 2HG ARG 71 1HG ARG 71 -4.412 7.019 -2.834 608 1HD ARG 71 2HD ARG 71 -6.465 5.805 -1.998 609 2HD ARG 71 1HD ARG 71 -5.137 5.932 -0.844 610 HE ARG 71 HE ARG 71 -6.328 7.565 0.341 611 1HH1 ARG 71 1HH1 ARG 71 -8.333 6.021 -2.191 612 2HH1 ARG 71 2HH1 ARG 71 -9.790 6.560 -1.533 613 1HH2 ARG 71 1HH2 ARG 71 -8.335 8.259 1.225 614 2HH2 ARG 71 2HH2 ARG 71 -9.812 7.953 0.432 615 H GLY 72 H GLY 72 -1.972 6.399 -0.072 616 1HA GLY 72 2HA GLY 72 -1.749 5.118 1.820 617 2HA GLY 72 1HA GLY 72 -3.000 6.016 2.632 618 H SER 73 H SER 73 -2.181 3.238 0.770 619 HA SER 73 HA SER 73 -4.561 1.926 1.309 620 1HB SER 73 2HB SER 73 -3.496 2.171 -1.499 621 2HB SER 73 1HB SER 73 -4.897 1.254 -1.009 622 HG SER 73 HG SER 73 -5.106 3.529 -2.003 623 H TYR 74 H TYR 74 -3.754 0.041 1.713 624 HA TYR 74 HA TYR 74 -0.890 -0.382 1.207 625 1HB TYR 74 2HB TYR 74 -2.619 -0.702 3.422 626 2HB TYR 74 1HB TYR 74 -1.226 -1.801 3.414 627 HD1 TYR 74 1HD TYR 74 1.051 -0.689 3.639 628 HD2 TYR 74 2HD TYR 74 -2.552 1.477 4.215 629 HE1 TYR 74 1HE TYR 74 2.298 1.001 4.887 630 HE2 TYR 74 2HE TYR 74 -1.309 3.199 5.465 631 HH TYR 74 HH TYR 74 2.107 3.378 5.564 632 H GLY 75 H GLY 75 -1.449 -1.567 -0.563 633 1HA GLY 75 2HA GLY 75 -2.943 -3.950 0.055 634 2HA GLY 75 1HA GLY 75 -2.632 -3.312 -1.562 635 H TYR 76 H TYR 76 -1.547 -4.998 0.991 636 HA TYR 76 HA TYR 76 1.052 -5.667 0.383 637 1HB TYR 76 2HB TYR 76 -0.271 -8.165 0.896 638 2HB TYR 76 1HB TYR 76 0.710 -7.226 2.013 639 HD1 TYR 76 1HD TYR 76 -2.669 -7.919 0.845 640 HD2 TYR 76 2HD TYR 76 -0.358 -5.792 3.717 641 HE1 TYR 76 1HE TYR 76 -4.708 -7.393 2.090 642 HE2 TYR 76 2HE TYR 76 -2.380 -5.280 4.950 643 HH TYR 76 HH TYR 76 -4.803 -5.055 4.477 644 H ILE 77 H ILE 77 1.677 -5.732 -1.554 645 HA ILE 77 HA ILE 77 0.345 -6.729 -3.828 646 HB ILE 77 HB ILE 77 2.696 -6.374 -4.684 647 1HG1 ILE 77 2HG1 ILE 77 2.808 -4.847 -2.085 648 2HG1 ILE 77 1HG1 ILE 77 3.863 -6.141 -2.629 649 1HG2 ILE 77 1HG2 ILE 77 2.140 -3.921 -4.978 650 2HG2 ILE 77 2HG2 ILE 77 0.929 -4.090 -3.705 651 3HG2 ILE 77 3HG2 ILE 77 0.728 -4.955 -5.238 652 1HD1 ILE 77 1HD1 ILE 77 3.674 -3.394 -3.804 653 2HD1 ILE 77 2HD1 ILE 77 4.748 -4.687 -4.347 654 3HD1 ILE 77 3HD1 ILE 77 4.948 -3.988 -2.730 655 H LYS 78 H LYS 78 0.833 -8.478 -4.947 656 HA LYS 78 HA LYS 78 2.796 -10.245 -3.939 657 1HB LYS 78 2HB LYS 78 2.349 -11.544 -5.973 658 2HB LYS 78 1HB LYS 78 0.809 -11.064 -5.274 659 1HG LYS 78 2HG LYS 78 0.667 -9.237 -6.849 660 2HG LYS 78 1HG LYS 78 2.267 -9.745 -7.438 661 1HD LYS 78 2HD LYS 78 1.322 -11.838 -8.252 662 2HD LYS 78 1HD LYS 78 -0.245 -11.447 -7.529 663 1HE LYS 78 2HE LYS 78 -0.487 -9.553 -9.018 664 2HE LYS 78 1HE LYS 78 1.105 -9.861 -9.703 665 1HZ LYS 78 1HZ LYS 78 0.282 -11.988 -10.514 666 2HZ LYS 78 2HZ LYS 78 -0.597 -10.679 -11.126 667 3HZ LYS 78 3HZ LYS 78 -1.270 -11.654 -9.921 668 H THR 79 H THR 79 4.509 -9.714 -4.146 669 HA THR 79 HA THR 79 6.168 -7.770 -4.900 670 HB THR 79 HB THR 79 8.093 -9.320 -5.037 671 HG1 THR 79 1HG THR 79 7.654 -11.577 -4.994 672 1HG2 THR 79 1HG2 THR 79 6.017 -10.203 -3.033 673 2HG2 THR 79 2HG2 THR 79 7.119 -8.838 -2.838 674 3HG2 THR 79 3HG2 THR 79 7.753 -10.485 -2.916 675 H THR 80 H THR 80 5.203 -10.304 -7.160 676 HA THR 80 HA THR 80 6.786 -9.421 -9.343 677 HB THR 80 HB THR 80 6.034 -11.733 -9.118 678 HG1 THR 80 1HG THR 80 6.405 -11.349 -11.187 679 1HG2 THR 80 1HG2 THR 80 3.916 -11.318 -8.044 680 2HG2 THR 80 2HG2 THR 80 3.642 -12.328 -9.451 681 3HG2 THR 80 3HG2 THR 80 3.258 -10.598 -9.495 682 H ALA 81 H ALA 81 3.881 -8.108 -8.024 683 HA ALA 81 HA ALA 81 2.817 -7.206 -10.553 684 1HB ALA 81 1HB ALA 81 1.297 -7.854 -8.756 685 2HB ALA 81 2HB ALA 81 1.069 -6.161 -9.212 686 3HB ALA 81 3HB ALA 81 1.956 -6.573 -7.736 687 H VAL 82 H VAL 82 5.180 -6.190 -8.419 688 HA VAL 82 HA VAL 82 5.100 -3.541 -9.669 689 HB VAL 82 HB VAL 82 6.162 -2.569 -7.623 690 1HG1 VAL 82 1HG1 VAL 82 3.384 -3.694 -7.232 691 2HG1 VAL 82 2HG1 VAL 82 3.805 -2.194 -8.060 692 3HG1 VAL 82 3HG1 VAL 82 4.095 -2.352 -6.338 693 1HG2 VAL 82 1HG2 VAL 82 6.962 -4.629 -6.586 694 2HG2 VAL 82 2HG2 VAL 82 5.296 -5.169 -6.369 695 3HG2 VAL 82 3HG2 VAL 82 5.877 -3.763 -5.489 696 H GLU 83 H GLU 83 7.111 -2.461 -9.607 697 HA GLU 83 HA GLU 83 9.484 -4.177 -9.488 698 1HB GLU 83 2HB GLU 83 8.824 -1.965 -11.413 699 2HB GLU 83 1HB GLU 83 10.388 -2.776 -11.330 700 1HG GLU 83 2HG GLU 83 9.229 -4.869 -11.934 701 2HG GLU 83 1HG GLU 83 7.750 -3.936 -12.170 702 H ILE 84 H ILE 84 10.478 -3.346 -7.676 703 HA ILE 84 HA ILE 84 9.912 -0.610 -7.012 704 HB ILE 84 HB ILE 84 11.328 -0.761 -5.095 705 1HG1 ILE 84 2HG1 ILE 84 12.180 -3.535 -5.885 706 2HG1 ILE 84 1HG1 ILE 84 13.116 -2.107 -6.322 707 1HG2 ILE 84 1HG2 ILE 84 9.151 -1.774 -4.851 708 2HG2 ILE 84 2HG2 ILE 84 10.340 -2.657 -3.893 709 3HG2 ILE 84 3HG2 ILE 84 9.777 -3.320 -5.426 710 1HD1 ILE 84 1HD1 ILE 84 13.325 -1.521 -4.014 711 2HD1 ILE 84 2HD1 ILE 84 13.971 -3.136 -4.321 712 3HD1 ILE 84 3HD1 ILE 84 12.377 -2.930 -3.543 713 H ASP 85 H ASP 85 11.593 0.959 -6.676 714 HA ASP 85 HA ASP 85 13.268 0.858 -9.055 715 1HB ASP 85 2HB ASP 85 11.935 2.890 -8.659 716 2HB ASP 85 1HB ASP 85 12.868 3.207 -7.196 717 H TYR 86 H TYR 86 14.979 -0.250 -8.777 718 HA TYR 86 HA TYR 86 16.618 -0.068 -6.383 719 1HB TYR 86 2HB TYR 86 17.069 -1.507 -9.008 720 2HB TYR 86 1HB TYR 86 18.107 -1.621 -7.601 721 HD1 TYR 86 1HD TYR 86 17.338 -2.878 -5.615 722 HD2 TYR 86 2HD TYR 86 15.061 -2.763 -9.201 723 HE1 TYR 86 1HE TYR 86 16.115 -4.883 -4.897 724 HE2 TYR 86 2HE TYR 86 13.823 -4.757 -8.490 725 HH TYR 86 HH TYR 86 14.266 -6.669 -7.040 726 H ASP 87 H ASP 87 19.015 0.329 -6.800 727 HA ASP 87 HA ASP 87 19.282 2.505 -8.734 728 1HB ASP 87 2HB ASP 87 19.893 3.014 -6.333 729 2HB ASP 87 1HB ASP 87 21.135 1.772 -6.432 730 H SER 88 H SER 88 19.469 1.272 -10.484 731 HA SER 88 HA SER 88 21.342 -0.960 -10.490 732 1HB SER 88 2HB SER 88 19.244 -0.155 -12.508 733 2HB SER 88 1HB SER 88 20.199 -1.640 -12.534 734 HG SER 88 HG SER 88 19.287 -2.005 -10.366 735 H LEU 89 H LEU 89 21.427 2.271 -11.229 736 HA LEU 89 HA LEU 89 22.829 3.613 -12.306 737 1HB LEU 89 2HB LEU 89 24.447 1.103 -12.816 738 2HB LEU 89 1HB LEU 89 24.959 2.685 -13.340 739 HG LEU 89 HG LEU 89 25.044 3.372 -10.917 740 1HD1 LEU 89 1HD1 LEU 89 23.554 1.695 -9.966 741 2HD1 LEU 89 2HD1 LEU 89 25.149 1.637 -9.213 742 3HD1 LEU 89 3HD1 LEU 89 24.693 0.424 -10.408 743 1HD2 LEU 89 1HD2 LEU 89 27.034 2.769 -12.155 744 2HD2 LEU 89 2HD2 LEU 89 26.777 1.067 -11.773 745 3HD2 LEU 89 3HD2 LEU 89 27.151 2.212 -10.486 746 H LYS 90 H LYS 90 22.909 0.709 -14.312 747 HA LYS 90 HA LYS 90 22.597 0.310 -16.478 748 1HB LYS 90 2HB LYS 90 20.642 2.611 -16.251 749 2HB LYS 90 1HB LYS 90 20.798 1.613 -17.695 750 1HG LYS 90 2HG LYS 90 20.218 -0.373 -16.396 751 2HG LYS 90 1HG LYS 90 20.078 0.618 -14.945 752 1HD LYS 90 2HD LYS 90 18.249 1.856 -15.956 753 2HD LYS 90 1HD LYS 90 18.409 0.904 -17.436 754 1HE LYS 90 2HE LYS 90 17.843 -1.121 -16.224 755 2HE LYS 90 1HE LYS 90 17.768 -0.219 -14.715 756 1HZ LYS 90 1HZ LYS 90 15.567 -0.628 -15.656 757 2HZ LYS 90 2HZ LYS 90 15.976 0.218 -17.053 758 3HZ LYS 90 3HZ LYS 90 15.914 1.020 -15.559 759 H LEU 91 H LEU 91 24.553 2.040 -15.518 760 HA LEU 91 HA LEU 91 25.441 3.251 -18.034 761 1HB LEU 91 2HB LEU 91 24.893 4.922 -16.219 762 2HB LEU 91 1HB LEU 91 26.065 4.124 -15.196 763 HG LEU 91 HG LEU 91 27.837 4.747 -16.821 764 1HD1 LEU 91 1HD1 LEU 91 26.453 4.963 -18.814 765 2HD1 LEU 91 2HD1 LEU 91 27.338 6.458 -18.499 766 3HD1 LEU 91 3HD1 LEU 91 25.624 6.347 -18.099 767 1HD2 LEU 91 1HD2 LEU 91 27.896 7.109 -16.184 768 2HD2 LEU 91 2HD2 LEU 91 27.419 6.085 -14.830 769 3HD2 LEU 91 3HD2 LEU 91 26.203 7.017 -15.701 770 H LYS 92 H LYS 92 27.096 1.983 -18.712 771 HA LYS 92 HA LYS 92 27.999 0.009 -16.850 772 1HB LYS 92 2HB LYS 92 28.524 0.206 -19.806 773 2HB LYS 92 1HB LYS 92 29.156 -1.084 -18.780 774 1HG LYS 92 2HG LYS 92 26.807 -1.615 -18.127 775 2HG LYS 92 1HG LYS 92 26.265 -0.444 -19.324 776 1HD LYS 92 2HD LYS 92 27.369 -1.753 -21.085 777 2HD LYS 92 1HD LYS 92 27.893 -2.928 -19.871 778 1HE LYS 92 2HE LYS 92 25.532 -3.348 -19.298 779 2HE LYS 92 1HE LYS 92 25.044 -2.225 -20.563 780 1HZ LYS 92 1HZ LYS 92 24.880 -4.455 -21.341 781 2HZ LYS 92 2HZ LYS 92 26.481 -4.799 -20.923 782 3HZ LYS 92 3HZ LYS 92 26.156 -3.718 -22.180 783 H LYS 93 H LYS 93 28.996 1.262 -15.495 784 HA LYS 93 HA LYS 93 31.839 1.199 -15.843 785 1HB LYS 93 2HB LYS 93 31.269 3.570 -16.401 786 2HB LYS 93 1HB LYS 93 30.392 3.706 -14.884 787 1HG LYS 93 2HG LYS 93 32.440 3.451 -13.629 788 2HG LYS 93 1HG LYS 93 33.345 3.164 -15.112 789 1HD LYS 93 2HD LYS 93 31.862 5.713 -14.470 790 2HD LYS 93 1HD LYS 93 33.591 5.468 -14.220 791 1HE LYS 93 2HE LYS 93 33.868 5.043 -16.620 792 2HE LYS 93 1HE LYS 93 32.142 5.295 -16.863 793 1HZ LYS 93 1HZ LYS 93 32.390 7.567 -16.131 794 2HZ LYS 93 2HZ LYS 93 33.465 7.262 -17.406 795 3HZ LYS 93 3HZ LYS 93 34.043 7.336 -15.836 796 H ASP 94 H ASP 94 31.597 -0.567 -14.562 797 HA ASP 94 HA ASP 94 30.316 -0.247 -11.944 798 1HB ASP 94 2HB ASP 94 30.012 -2.671 -11.971 799 2HB ASP 94 1HB ASP 94 29.297 -1.931 -13.393 800 H LEU 95 H LEU 95 31.287 -2.214 -10.492 801 HA LEU 95 HA LEU 95 33.874 -1.309 -9.762 802 1HB LEU 95 2HB LEU 95 32.344 -3.743 -8.848 803 2HB LEU 95 1HB LEU 95 33.807 -3.139 -8.101 804 HG LEU 95 HG LEU 95 31.173 -1.664 -8.213 805 1HD1 LEU 95 1HD1 LEU 95 31.065 -3.613 -6.763 806 2HD1 LEU 95 2HD1 LEU 95 31.071 -2.126 -5.812 807 3HD1 LEU 95 3HD1 LEU 95 32.539 -3.097 -5.940 808 1HD2 LEU 95 1HD2 LEU 95 33.747 -1.023 -6.771 809 2HD2 LEU 95 2HD2 LEU 95 32.233 -0.124 -6.636 810 3HD2 LEU 95 3HD2 LEU 95 33.101 -0.163 -8.171 811 H GLU 96 H GLU 96 35.441 -1.675 -11.159 812 HA GLU 96 HA GLU 96 35.751 -4.076 -12.664 813 1HB GLU 96 2HB GLU 96 37.719 -1.830 -12.161 814 2HB GLU 96 1HB GLU 96 37.902 -3.096 -13.363 815 1HG GLU 96 2HG GLU 96 35.855 -2.277 -14.483 816 2HG GLU 96 1HG GLU 96 35.780 -0.960 -13.313 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 -19.981 -16.075 -7.082 2 2H GLU 1 2HT GLU 1 -20.158 -16.478 -8.703 3 3H GLU 1 3HT GLU 1 -21.124 -17.231 -7.526 4 HA GLU 1 HA GLU 1 -21.186 -14.369 -8.230 5 1HB GLU 1 2HB GLU 1 -23.239 -16.553 -8.596 6 2HB GLU 1 1HB GLU 1 -23.472 -14.854 -8.971 7 1HG GLU 1 2HG GLU 1 -21.735 -15.000 -10.675 8 2HG GLU 1 1HG GLU 1 -21.533 -16.715 -10.305 9 H LYS 2 H LYS 2 -21.199 -13.450 -6.277 10 HA LYS 2 HA LYS 2 -23.459 -14.130 -4.580 11 1HB LYS 2 2HB LYS 2 -22.078 -13.913 -2.532 12 2HB LYS 2 1HB LYS 2 -21.685 -15.322 -3.498 13 1HG LYS 2 2HG LYS 2 -19.704 -14.206 -4.350 14 2HG LYS 2 1HG LYS 2 -20.123 -12.751 -3.450 15 1HD LYS 2 2HD LYS 2 -18.413 -13.953 -2.243 16 2HD LYS 2 1HD LYS 2 -19.917 -14.038 -1.337 17 1HE LYS 2 2HE LYS 2 -18.915 -16.246 -3.149 18 2HE LYS 2 1HE LYS 2 -18.556 -16.171 -1.432 19 1HZ LYS 2 1HZ LYS 2 -21.028 -16.250 -1.057 20 2HZ LYS 2 2HZ LYS 2 -20.345 -17.634 -1.726 21 3HZ LYS 2 3HZ LYS 2 -21.226 -16.619 -2.713 22 H LYS 3 H LYS 3 -22.741 -12.004 -6.497 23 HA LYS 3 HA LYS 3 -22.285 -9.693 -4.935 24 1HB LYS 3 2HB LYS 3 -23.249 -10.005 -7.776 25 2HB LYS 3 1HB LYS 3 -23.043 -8.437 -7.004 26 1HG LYS 3 2HG LYS 3 -20.875 -10.492 -7.395 27 2HG LYS 3 1HG LYS 3 -21.107 -9.034 -8.367 28 1HD LYS 3 2HD LYS 3 -20.783 -7.653 -6.364 29 2HD LYS 3 1HD LYS 3 -20.550 -9.109 -5.400 30 1HE LYS 3 2HE LYS 3 -18.567 -9.662 -6.675 31 2HE LYS 3 1HE LYS 3 -18.831 -8.273 -7.728 32 1HZ LYS 3 1HZ LYS 3 -17.179 -7.774 -6.093 33 2HZ LYS 3 2HZ LYS 3 -18.205 -8.166 -4.815 34 3HZ LYS 3 3HZ LYS 3 -18.545 -6.826 -5.796 35 H GLU 4 H GLU 4 -23.578 -9.851 -3.372 36 HA GLU 4 HA GLU 4 -26.065 -8.469 -3.547 37 1HB GLU 4 2HB GLU 4 -26.704 -10.913 -3.841 38 2HB GLU 4 1HB GLU 4 -25.959 -11.236 -2.282 39 1HG GLU 4 2HG GLU 4 -28.361 -11.066 -2.077 40 2HG GLU 4 1HG GLU 4 -27.565 -9.755 -1.207 41 H GLN 5 H GLN 5 -23.899 -10.528 -1.641 42 HA GLN 5 HA GLN 5 -23.709 -8.418 0.379 43 1HB GLN 5 2HB GLN 5 -24.001 -10.989 0.923 44 2HB GLN 5 1HB GLN 5 -22.325 -11.117 0.431 45 1HG GLN 5 2HG GLN 5 -23.409 -9.500 2.741 46 2HG GLN 5 1HG GLN 5 -22.498 -10.998 2.843 47 1HE2 GLN 5 1HE2 GLN 5 -20.278 -10.931 2.443 48 2HE2 GLN 5 2HE2 GLN 5 -19.378 -9.468 2.507 49 H LYS 6 H LYS 6 -22.201 -6.991 -0.203 50 HA LYS 6 HA LYS 6 -19.964 -7.939 -1.843 51 1HB LYS 6 2HB LYS 6 -19.948 -5.682 -2.890 52 2HB LYS 6 1HB LYS 6 -21.384 -6.632 -3.247 53 1HG LYS 6 2HG LYS 6 -22.660 -5.375 -1.616 54 2HG LYS 6 1HG LYS 6 -21.218 -4.463 -1.168 55 1HD LYS 6 2HD LYS 6 -21.104 -3.489 -3.375 56 2HD LYS 6 1HD LYS 6 -22.464 -4.482 -3.913 57 1HE LYS 6 2HE LYS 6 -23.169 -2.196 -3.383 58 2HE LYS 6 1HE LYS 6 -23.926 -3.380 -2.317 59 1HZ LYS 6 1HZ LYS 6 -22.219 -2.793 -0.616 60 2HZ LYS 6 2HZ LYS 6 -23.199 -1.514 -1.042 61 3HZ LYS 6 3HZ LYS 6 -21.635 -1.594 -1.653 62 H GLU 7 H GLU 7 -17.971 -7.033 -1.514 63 HA GLU 7 HA GLU 7 -17.591 -5.093 0.566 64 1HB GLU 7 2HB GLU 7 -15.958 -6.485 1.785 65 2HB GLU 7 1HB GLU 7 -17.564 -7.189 1.846 66 1HG GLU 7 2HG GLU 7 -16.950 -8.826 0.180 67 2HG GLU 7 1HG GLU 7 -15.371 -8.068 -0.020 68 H LYS 8 H LYS 8 -15.581 -4.064 0.327 69 HA LYS 8 HA LYS 8 -13.954 -4.965 -1.921 70 1HB LYS 8 2HB LYS 8 -15.520 -3.247 -2.769 71 2HB LYS 8 1HB LYS 8 -14.922 -2.125 -1.558 72 1HG LYS 8 2HG LYS 8 -12.684 -2.254 -2.581 73 2HG LYS 8 1HG LYS 8 -13.338 -3.320 -3.825 74 1HD LYS 8 2HD LYS 8 -14.917 -1.535 -4.470 75 2HD LYS 8 1HD LYS 8 -14.171 -0.477 -3.270 76 1HE LYS 8 2HE LYS 8 -12.019 -0.720 -4.451 77 2HE LYS 8 1HE LYS 8 -12.827 -1.705 -5.671 78 1HZ LYS 8 1HZ LYS 8 -12.670 0.515 -6.469 79 2HZ LYS 8 2HZ LYS 8 -13.298 1.139 -5.044 80 3HZ LYS 8 3HZ LYS 8 -14.304 0.248 -6.081 81 H GLU 9 H GLU 9 -11.905 -4.922 -1.437 82 HA GLU 9 HA GLU 9 -11.050 -3.792 1.060 83 1HB GLU 9 2HB GLU 9 -8.779 -4.719 0.345 84 2HB GLU 9 1HB GLU 9 -10.061 -5.896 0.584 85 1HG GLU 9 2HG GLU 9 -10.410 -6.027 -1.815 86 2HG GLU 9 1HG GLU 9 -9.167 -4.807 -2.072 87 H LYS 10 H LYS 10 -10.889 -1.745 1.149 88 HA LYS 10 HA LYS 10 -9.732 -0.249 -1.111 89 1HB LYS 10 2HB LYS 10 -11.487 0.841 1.107 90 2HB LYS 10 1HB LYS 10 -11.017 1.653 -0.376 91 1HG LYS 10 2HG LYS 10 -12.386 0.142 -1.681 92 2HG LYS 10 1HG LYS 10 -12.801 -0.768 -0.227 93 1HD LYS 10 2HD LYS 10 -13.811 1.313 0.706 94 2HD LYS 10 1HD LYS 10 -13.510 2.098 -0.846 95 1HE LYS 10 2HE LYS 10 -14.910 0.399 -1.952 96 2HE LYS 10 1HE LYS 10 -15.235 -0.334 -0.385 97 1HZ LYS 10 1HZ LYS 10 -16.247 1.837 0.292 98 2HZ LYS 10 2HZ LYS 10 -17.054 1.038 -0.896 99 3HZ LYS 10 3HZ LYS 10 -16.068 2.364 -1.310 100 H LYS 11 H LYS 11 -10.271 0.613 2.266 101 HA LYS 11 HA LYS 11 -7.383 0.806 2.689 102 1HB LYS 11 2HB LYS 11 -9.538 2.655 3.789 103 2HB LYS 11 1HB LYS 11 -7.860 2.676 4.282 104 1HG LYS 11 2HG LYS 11 -8.195 4.526 2.841 105 2HG LYS 11 1HG LYS 11 -7.283 3.332 1.921 106 1HD LYS 11 2HD LYS 11 -9.265 2.678 0.717 107 2HD LYS 11 1HD LYS 11 -10.274 3.692 1.747 108 1HE LYS 11 2HE LYS 11 -8.104 4.694 -0.095 109 2HE LYS 11 1HE LYS 11 -9.828 4.701 -0.463 110 1HZ LYS 11 1HZ LYS 11 -8.503 6.163 1.758 111 2HZ LYS 11 2HZ LYS 11 -10.161 6.146 1.480 112 3HZ LYS 11 3HZ LYS 11 -9.134 6.873 0.373 113 H GLU 12 H GLU 12 -7.072 -0.970 3.867 114 HA GLU 12 HA GLU 12 -9.047 -1.768 5.849 115 1HB GLU 12 2HB GLU 12 -6.436 -3.045 5.033 116 2HB GLU 12 1HB GLU 12 -7.517 -3.685 6.255 117 1HG GLU 12 2HG GLU 12 -9.244 -3.989 4.544 118 2HG GLU 12 1HG GLU 12 -8.124 -3.369 3.326 119 H GLN 13 H GLN 13 -8.734 -1.642 8.033 120 HA GLN 13 HA GLN 13 -6.353 -0.239 8.935 121 1HB GLN 13 2HB GLN 13 -8.653 0.283 9.881 122 2HB GLN 13 1HB GLN 13 -8.676 -1.336 10.563 123 1HG GLN 13 2HG GLN 13 -8.066 0.312 12.233 124 2HG GLN 13 1HG GLN 13 -6.727 -0.797 11.926 125 1HE2 GLN 13 1HE2 GLN 13 -7.907 2.424 11.507 126 2HE2 GLN 13 2HE2 GLN 13 -6.398 3.139 11.074 127 H GLU 14 H GLU 14 -7.727 -3.195 8.481 128 HA GLU 14 HA GLU 14 -6.409 -4.876 10.291 129 1HB GLU 14 2HB GLU 14 -7.622 -5.583 7.612 130 2HB GLU 14 1HB GLU 14 -7.189 -6.716 8.876 131 1HG GLU 14 2HG GLU 14 -9.489 -6.524 9.079 132 2HG GLU 14 1HG GLU 14 -8.890 -5.439 10.324 133 H ILE 15 H ILE 15 -4.854 -3.068 8.127 134 HA ILE 15 HA ILE 15 -3.243 -4.962 6.723 135 HB ILE 15 HB ILE 15 -1.658 -3.139 6.262 136 1HG1 ILE 15 2HG1 ILE 15 -3.251 -1.172 7.805 137 2HG1 ILE 15 1HG1 ILE 15 -2.097 -2.171 8.702 138 1HG2 ILE 15 1HG2 ILE 15 -3.144 -1.516 5.183 139 2HG2 ILE 15 2HG2 ILE 15 -4.505 -2.161 6.094 140 3HG2 ILE 15 3HG2 ILE 15 -3.676 -3.174 4.913 141 1HD1 ILE 15 1HD1 ILE 15 -1.518 -0.381 6.367 142 2HD1 ILE 15 2HD1 ILE 15 -0.360 -1.421 7.202 143 3HD1 ILE 15 3HD1 ILE 15 -1.111 -0.078 8.071 144 H LYS 16 H LYS 16 -3.274 -3.606 9.836 145 HA LYS 16 HA LYS 16 -0.602 -4.302 10.622 146 1HB LYS 16 2HB LYS 16 -1.318 -3.464 12.811 147 2HB LYS 16 1HB LYS 16 -1.741 -2.339 11.529 148 1HG LYS 16 2HG LYS 16 -4.045 -3.409 11.566 149 2HG LYS 16 1HG LYS 16 -3.543 -4.158 13.083 150 1HD LYS 16 2HD LYS 16 -3.606 -1.203 12.499 151 2HD LYS 16 1HD LYS 16 -4.797 -2.091 13.443 152 1HE LYS 16 2HE LYS 16 -3.065 -2.648 15.086 153 2HE LYS 16 1HE LYS 16 -1.866 -1.798 14.112 154 1HZ LYS 16 1HZ LYS 16 -3.191 0.236 14.420 155 2HZ LYS 16 2HZ LYS 16 -2.585 -0.390 15.876 156 3HZ LYS 16 3HZ LYS 16 -4.216 -0.609 15.473 157 H LYS 17 H LYS 17 -3.360 -5.988 10.136 158 HA LYS 17 HA LYS 17 -2.663 -8.061 12.097 159 1HB LYS 17 2HB LYS 17 -5.014 -7.178 12.083 160 2HB LYS 17 1HB LYS 17 -5.178 -7.768 10.436 161 1HG LYS 17 2HG LYS 17 -4.785 -10.040 11.210 162 2HG LYS 17 1HG LYS 17 -4.619 -9.447 12.860 163 1HD LYS 17 2HD LYS 17 -6.954 -8.515 12.610 164 2HD LYS 17 1HD LYS 17 -7.069 -9.466 11.124 165 1HE LYS 17 2HE LYS 17 -7.998 -10.701 13.005 166 2HE LYS 17 1HE LYS 17 -6.547 -11.499 12.388 167 1HZ LYS 17 1HZ LYS 17 -6.654 -9.696 14.743 168 2HZ LYS 17 2HZ LYS 17 -5.269 -10.478 14.183 169 3HZ LYS 17 3HZ LYS 17 -6.536 -11.387 14.830 170 H LYS 18 H LYS 18 -2.641 -7.124 8.845 171 HA LYS 18 HA LYS 18 -2.635 -9.805 7.752 172 1HB LYS 18 2HB LYS 18 -3.599 -7.490 6.809 173 2HB LYS 18 1HB LYS 18 -1.999 -7.454 6.092 174 1HG LYS 18 2HG LYS 18 -3.203 -8.482 4.450 175 2HG LYS 18 1HG LYS 18 -2.601 -9.882 5.345 176 1HD LYS 18 2HD LYS 18 -4.954 -10.192 4.908 177 2HD LYS 18 1HD LYS 18 -4.726 -9.898 6.638 178 1HE LYS 18 2HE LYS 18 -5.349 -7.567 6.354 179 2HE LYS 18 1HE LYS 18 -5.497 -7.792 4.617 180 1HZ LYS 18 1HZ LYS 18 -7.295 -9.397 5.094 181 2HZ LYS 18 2HZ LYS 18 -7.611 -7.801 5.525 182 3HZ LYS 18 3HZ LYS 18 -7.219 -8.942 6.740 183 H PHE 19 H PHE 19 -0.527 -6.901 7.255 184 HA PHE 19 HA PHE 19 1.664 -8.716 6.674 185 1HB PHE 19 2HB PHE 19 0.967 -6.465 5.403 186 2HB PHE 19 1HB PHE 19 1.947 -5.711 6.659 187 HD1 PHE 19 1HD PHE 19 1.950 -7.291 3.474 188 HD2 PHE 19 2HD PHE 19 4.338 -6.542 6.906 189 HE1 PHE 19 1HE PHE 19 3.972 -7.637 2.153 190 HE2 PHE 19 2HE PHE 19 6.358 -6.886 5.572 191 HZ PHE 19 HZ PHE 19 6.203 -7.409 3.212 192 H LYS 20 H LYS 20 0.395 -6.722 9.108 193 HA LYS 20 HA LYS 20 0.887 -6.187 11.234 194 1HB LYS 20 2HB LYS 20 2.713 -8.613 11.237 195 2HB LYS 20 1HB LYS 20 2.007 -7.836 12.647 196 1HG LYS 20 2HG LYS 20 -0.253 -8.447 11.734 197 2HG LYS 20 1HG LYS 20 0.583 -9.392 10.503 198 1HD LYS 20 2HD LYS 20 0.714 -9.813 13.495 199 2HD LYS 20 1HD LYS 20 -0.171 -10.802 12.345 200 1HE LYS 20 2HE LYS 20 2.828 -10.486 12.537 201 2HE LYS 20 1HE LYS 20 1.891 -11.894 13.015 202 1HZ LYS 20 1HZ LYS 20 2.519 -10.907 10.320 203 2HZ LYS 20 2HZ LYS 20 1.169 -11.909 10.550 204 3HZ LYS 20 3HZ LYS 20 2.700 -12.469 10.929 205 H LEU 21 H LEU 21 1.802 -4.296 11.073 206 HA LEU 21 HA LEU 21 4.603 -4.159 10.262 207 1HB LEU 21 2HB LEU 21 2.581 -1.933 10.456 208 2HB LEU 21 1HB LEU 21 4.216 -1.802 9.877 209 HG LEU 21 HG LEU 21 2.987 -1.848 7.915 210 1HD1 LEU 21 1HD1 LEU 21 3.417 -3.971 6.824 211 2HD1 LEU 21 2HD1 LEU 21 3.735 -4.689 8.398 212 3HD1 LEU 21 3HD1 LEU 21 4.791 -3.410 7.790 213 1HD2 LEU 21 1HD2 LEU 21 1.275 -4.107 8.987 214 2HD2 LEU 21 2HD2 LEU 21 1.162 -3.412 7.382 215 3HD2 LEU 21 3HD2 LEU 21 0.764 -2.427 8.782 216 H THR 22 H THR 22 2.610 -3.762 12.940 217 HA THR 22 HA THR 22 2.816 -3.302 15.022 218 HB THR 22 HB THR 22 4.980 -3.515 16.239 219 HG1 THR 22 1HG THR 22 5.941 -3.173 13.690 220 1HG2 THR 22 1HG2 THR 22 4.501 -5.620 14.129 221 2HG2 THR 22 2HG2 THR 22 3.677 -5.511 15.685 222 3HG2 THR 22 3HG2 THR 22 5.409 -5.858 15.622 223 H GLY 23 H GLY 23 3.794 -1.046 12.855 224 1HA GLY 23 2HA GLY 23 3.136 1.078 14.511 225 2HA GLY 23 1HA GLY 23 4.890 0.951 14.452 226 HA PRO 24 HA PRO 24 3.541 3.425 10.774 227 1HB PRO 24 2HB PRO 24 5.581 5.327 11.640 228 2HB PRO 24 1HB PRO 24 3.856 5.601 11.380 229 1HG PRO 24 2HG PRO 24 4.992 5.631 13.839 230 2HG PRO 24 1HG PRO 24 3.316 5.123 13.558 231 1HD PRO 24 2HD PRO 24 5.761 3.443 13.982 232 2HD PRO 24 1HD PRO 24 4.114 3.227 14.614 233 H ILE 25 H ILE 25 4.443 2.405 9.162 234 HA ILE 25 HA ILE 25 7.350 2.155 9.048 235 HB ILE 25 HB ILE 25 5.210 0.670 7.480 236 1HG1 ILE 25 2HG1 ILE 25 5.302 -0.069 9.778 237 2HG1 ILE 25 1HG1 ILE 25 6.025 -1.300 8.748 238 1HG2 ILE 25 1HG2 ILE 25 7.031 -0.709 6.603 239 2HG2 ILE 25 2HG2 ILE 25 8.205 0.310 7.433 240 3HG2 ILE 25 3HG2 ILE 25 7.224 0.979 6.130 241 1HD1 ILE 25 1HD1 ILE 25 8.249 -0.510 9.380 242 2HD1 ILE 25 2HD1 ILE 25 7.308 -0.991 10.796 243 3HD1 ILE 25 3HD1 ILE 25 7.517 0.719 10.406 244 H GLN 26 H GLN 26 8.435 3.266 7.658 245 HA GLN 26 HA GLN 26 6.981 5.195 6.016 246 1HB GLN 26 2HB GLN 26 8.990 6.439 5.893 247 2HB GLN 26 1HB GLN 26 8.857 5.887 7.555 248 1HG GLN 26 2HG GLN 26 10.455 4.073 7.051 249 2HG GLN 26 1HG GLN 26 10.565 4.708 5.397 250 1HE2 GLN 26 1HE2 GLN 26 12.785 5.075 5.641 251 2HE2 GLN 26 2HE2 GLN 26 13.365 6.392 6.594 252 H VAL 27 H VAL 27 8.028 5.730 3.913 253 HA VAL 27 HA VAL 27 8.086 3.445 2.244 254 HB VAL 27 HB VAL 27 8.666 6.345 1.737 255 1HG1 VAL 27 1HG1 VAL 27 8.488 4.118 -0.284 256 2HG1 VAL 27 2HG1 VAL 27 9.946 5.005 0.162 257 3HG1 VAL 27 3HG1 VAL 27 8.622 5.848 -0.653 258 1HG2 VAL 27 1HG2 VAL 27 6.391 5.802 2.244 259 2HG2 VAL 27 2HG2 VAL 27 6.435 4.529 1.010 260 3HG2 VAL 27 3HG2 VAL 27 6.561 6.224 0.524 261 H ILE 28 H ILE 28 9.637 2.401 1.557 262 HA ILE 28 HA ILE 28 12.366 3.055 2.362 263 HB ILE 28 HB ILE 28 11.152 0.448 1.411 264 1HG1 ILE 28 2HG1 ILE 28 10.449 1.053 3.655 265 2HG1 ILE 28 1HG1 ILE 28 11.553 -0.312 3.712 266 1HG2 ILE 28 1HG2 ILE 28 13.968 0.982 2.327 267 2HG2 ILE 28 2HG2 ILE 28 13.454 0.559 0.690 268 3HG2 ILE 28 3HG2 ILE 28 13.275 -0.608 1.997 269 1HD1 ILE 28 1HD1 ILE 28 13.361 1.186 4.404 270 2HD1 ILE 28 2HD1 ILE 28 11.993 1.266 5.514 271 3HD1 ILE 28 3HD1 ILE 28 12.251 2.555 4.335 272 H HIS 29 H HIS 29 10.306 2.705 -0.469 273 HA HIS 29 HA HIS 29 12.288 3.730 -2.237 274 1HB HIS 29 2HB HIS 29 11.688 0.774 -2.478 275 2HB HIS 29 1HB HIS 29 12.181 1.726 -3.860 276 HD1 HIS 29 1HD HIS 29 13.516 -0.524 -1.410 277 HD2 HIS 29 2HD HIS 29 14.907 2.999 -3.168 278 HE1 HIS 29 1HE HIS 29 15.987 -0.546 -1.117 279 HE2 HIS 29 2HE HIS 29 16.832 1.488 -2.323 280 H LEU 30 H LEU 30 11.483 3.898 -4.391 281 HA LEU 30 HA LEU 30 8.557 3.940 -4.413 282 1HB LEU 30 2HB LEU 30 10.571 5.434 -6.094 283 2HB LEU 30 1HB LEU 30 8.868 5.396 -6.473 284 HG LEU 30 HG LEU 30 8.434 6.498 -4.249 285 1HD1 LEU 30 1HD1 LEU 30 11.417 6.906 -4.239 286 2HD1 LEU 30 2HD1 LEU 30 10.503 5.920 -3.100 287 3HD1 LEU 30 3HD1 LEU 30 10.262 7.669 -3.146 288 1HD2 LEU 30 1HD2 LEU 30 9.104 8.708 -5.021 289 2HD2 LEU 30 2HD2 LEU 30 8.421 7.729 -6.322 290 3HD2 LEU 30 3HD2 LEU 30 10.163 7.963 -6.219 291 H ALA 31 H ALA 31 7.648 2.416 -5.382 292 HA ALA 31 HA ALA 31 9.050 0.843 -7.419 293 1HB ALA 31 1HB ALA 31 7.410 -0.885 -7.088 294 2HB ALA 31 2HB ALA 31 6.499 0.126 -5.977 295 3HB ALA 31 3HB ALA 31 8.116 -0.451 -5.535 296 H LYS 32 H LYS 32 8.017 0.199 -9.236 297 HA LYS 32 HA LYS 32 6.093 2.173 -10.209 298 1HB LYS 32 2HB LYS 32 8.352 2.039 -11.295 299 2HB LYS 32 1HB LYS 32 7.981 0.386 -11.743 300 1HG LYS 32 2HG LYS 32 6.171 1.129 -13.133 301 2HG LYS 32 1HG LYS 32 6.436 2.812 -12.656 302 1HD LYS 32 2HD LYS 32 8.340 1.015 -14.176 303 2HD LYS 32 1HD LYS 32 7.496 2.431 -14.807 304 1HE LYS 32 2HE LYS 32 8.742 3.880 -13.310 305 2HE LYS 32 1HE LYS 32 9.519 2.486 -12.570 306 1HZ LYS 32 1HZ LYS 32 10.515 2.005 -14.765 307 2HZ LYS 32 2HZ LYS 32 11.018 3.432 -14.083 308 3HZ LYS 32 3HZ LYS 32 9.890 3.477 -15.347 309 H ALA 33 H ALA 33 4.085 1.345 -10.596 310 HA ALA 33 HA ALA 33 3.482 -1.368 -10.230 311 1HB ALA 33 1HB ALA 33 1.757 0.398 -10.066 312 2HB ALA 33 2HB ALA 33 1.325 -0.842 -11.232 313 3HB ALA 33 3HB ALA 33 1.926 0.701 -11.798 314 H CYS 34 H CYS 34 4.282 -2.884 -11.457 315 HA CYS 34 HA CYS 34 5.015 -2.379 -14.216 316 1HB CYS 34 2HB CYS 34 6.488 -3.623 -12.613 317 2HB CYS 34 1HB CYS 34 5.272 -4.886 -12.544 318 HG CYS 34 HG CYS 34 7.729 -4.459 -14.579 319 H CYS 35 H CYS 35 2.325 -3.232 -12.559 320 HA CYS 35 HA CYS 35 1.041 -4.436 -14.847 321 1HB CYS 35 2HB CYS 35 1.088 -5.746 -12.114 322 2HB CYS 35 1HB CYS 35 0.119 -6.269 -13.487 323 HG CYS 35 HG CYS 35 3.037 -6.150 -14.654 324 H ASP 36 H ASP 36 -1.237 -4.454 -14.542 325 HA ASP 36 HA ASP 36 -2.287 -2.536 -12.587 326 1HB ASP 36 2HB ASP 36 -2.929 -1.601 -14.409 327 2HB ASP 36 1HB ASP 36 -3.053 -3.047 -15.425 328 H VAL 37 H VAL 37 -2.814 -3.534 -11.025 329 HA VAL 37 HA VAL 37 -4.606 -5.839 -11.259 330 HB VAL 37 HB VAL 37 -2.402 -6.480 -10.258 331 1HG1 VAL 37 1HG1 VAL 37 -3.248 -4.713 -8.014 332 2HG1 VAL 37 2HG1 VAL 37 -1.903 -4.461 -9.126 333 3HG1 VAL 37 3HG1 VAL 37 -1.872 -5.820 -7.999 334 1HG2 VAL 37 1HG2 VAL 37 -3.226 -7.706 -8.348 335 2HG2 VAL 37 2HG2 VAL 37 -4.323 -7.825 -9.727 336 3HG2 VAL 37 3HG2 VAL 37 -4.707 -6.750 -8.361 337 H LYS 38 H LYS 38 -6.410 -5.918 -9.766 338 HA LYS 38 HA LYS 38 -6.905 -3.306 -8.584 339 1HB LYS 38 2HB LYS 38 -9.416 -3.918 -8.933 340 2HB LYS 38 1HB LYS 38 -8.478 -3.286 -10.268 341 1HG LYS 38 2HG LYS 38 -8.812 -6.232 -9.895 342 2HG LYS 38 1HG LYS 38 -10.090 -5.275 -10.644 343 1HD LYS 38 2HD LYS 38 -7.217 -5.439 -11.610 344 2HD LYS 38 1HD LYS 38 -8.580 -6.303 -12.321 345 1HE LYS 38 2HE LYS 38 -9.655 -4.111 -12.800 346 2HE LYS 38 1HE LYS 38 -8.216 -3.308 -12.183 347 1HZ LYS 38 1HZ LYS 38 -8.207 -5.191 -14.484 348 2HZ LYS 38 2HZ LYS 38 -6.933 -4.123 -14.043 349 3HZ LYS 38 3HZ LYS 38 -8.369 -3.535 -14.634 350 H GLY 39 H GLY 39 -5.671 -5.502 -7.284 351 1HA GLY 39 2HA GLY 39 -5.673 -5.958 -5.005 352 2HA GLY 39 1HA GLY 39 -7.329 -5.413 -4.884 353 H GLY 40 H GLY 40 -5.478 -7.988 -6.405 354 1HA GLY 40 2HA GLY 40 -7.708 -9.825 -5.841 355 2HA GLY 40 1HA GLY 40 -6.471 -10.085 -7.075 356 H LYS 41 H LYS 41 -7.339 -11.674 -4.627 357 HA LYS 41 HA LYS 41 -6.442 -12.878 -2.942 358 1HB LYS 41 2HB LYS 41 -3.903 -12.289 -4.480 359 2HB LYS 41 1HB LYS 41 -3.891 -13.244 -3.014 360 1HG LYS 41 2HG LYS 41 -3.827 -14.708 -4.896 361 2HG LYS 41 1HG LYS 41 -5.395 -14.872 -4.118 362 1HD LYS 41 2HD LYS 41 -6.396 -13.473 -5.846 363 2HD LYS 41 1HD LYS 41 -4.812 -13.251 -6.596 364 1HE LYS 41 2HE LYS 41 -6.050 -14.957 -7.778 365 2HE LYS 41 1HE LYS 41 -4.659 -15.671 -6.964 366 1HZ LYS 41 1HZ LYS 41 -6.603 -17.044 -6.689 367 2HZ LYS 41 2HZ LYS 41 -7.487 -15.779 -6.040 368 3HZ LYS 41 3HZ LYS 41 -6.177 -16.416 -5.184 369 H ASN 42 H ASN 42 -6.920 -10.119 -2.612 370 HA ASN 42 HA ASN 42 -6.686 -8.393 -1.254 371 1HB ASN 42 2HB ASN 42 -6.807 -10.178 0.491 372 2HB ASN 42 1HB ASN 42 -5.050 -10.240 0.495 373 1HD2 ASN 42 1HD2 ASN 42 -6.909 -7.247 0.208 374 2HD2 ASN 42 2HD2 ASN 42 -6.473 -6.646 1.767 375 H GLU 43 H GLU 43 -5.655 -6.926 -2.313 376 HA GLU 43 HA GLU 43 -2.762 -6.744 -2.146 377 1HB GLU 43 2HB GLU 43 -3.601 -8.301 -4.081 378 2HB GLU 43 1HB GLU 43 -4.066 -6.804 -4.834 379 1HG GLU 43 2HG GLU 43 -1.964 -6.191 -5.326 380 2HG GLU 43 1HG GLU 43 -1.287 -6.933 -3.873 381 H LEU 44 H LEU 44 -2.245 -4.775 -3.841 382 HA LEU 44 HA LEU 44 -3.809 -2.512 -2.957 383 1HB LEU 44 2HB LEU 44 -1.246 -2.759 -2.913 384 2HB LEU 44 1HB LEU 44 -1.340 -2.786 -4.639 385 HG LEU 44 HG LEU 44 -2.219 -0.517 -4.718 386 1HD1 LEU 44 1HD1 LEU 44 -1.800 -0.574 -1.753 387 2HD1 LEU 44 2HD1 LEU 44 -3.360 -0.490 -2.594 388 3HD1 LEU 44 3HD1 LEU 44 -2.201 0.845 -2.726 389 1HD2 LEU 44 1HD2 LEU 44 -0.190 0.613 -4.016 390 2HD2 LEU 44 2HD2 LEU 44 0.170 -0.901 -4.848 391 3HD2 LEU 44 3HD2 LEU 44 0.286 -0.808 -3.090 392 H SER 45 H SER 45 -4.831 -1.153 -4.531 393 HA SER 45 HA SER 45 -5.098 -2.387 -7.143 394 1HB SER 45 2HB SER 45 -7.110 -0.848 -7.385 395 2HB SER 45 1HB SER 45 -7.248 -2.086 -6.142 396 HG SER 45 HG SER 45 -6.546 -0.388 -4.634 397 H PHE 46 H PHE 46 -3.978 -1.650 -8.715 398 HA PHE 46 HA PHE 46 -3.429 1.141 -9.036 399 1HB PHE 46 2HB PHE 46 -0.931 0.692 -9.280 400 2HB PHE 46 1HB PHE 46 -1.557 0.655 -7.633 401 HD1 PHE 46 1HD PHE 46 -0.216 -1.331 -10.407 402 HD2 PHE 46 2HD PHE 46 -1.543 -1.377 -6.382 403 HE1 PHE 46 1HE PHE 46 0.830 -3.528 -10.089 404 HE2 PHE 46 2HE PHE 46 -0.504 -3.564 -6.059 405 HZ PHE 46 HZ PHE 46 0.666 -4.656 -7.913 406 H LYS 47 H LYS 47 -2.066 1.380 -11.052 407 HA LYS 47 HA LYS 47 -2.940 -0.595 -13.030 408 1HB LYS 47 2HB LYS 47 -4.274 1.650 -12.838 409 2HB LYS 47 1HB LYS 47 -2.830 2.403 -13.481 410 1HG LYS 47 2HG LYS 47 -4.180 0.163 -14.905 411 2HG LYS 47 1HG LYS 47 -4.781 1.808 -15.058 412 1HD LYS 47 2HD LYS 47 -1.946 0.990 -15.719 413 2HD LYS 47 1HD LYS 47 -3.251 0.968 -16.899 414 1HE LYS 47 2HE LYS 47 -2.186 3.017 -17.276 415 2HE LYS 47 1HE LYS 47 -3.584 3.443 -16.307 416 1HZ LYS 47 1HZ LYS 47 -2.083 3.674 -14.348 417 2HZ LYS 47 2HZ LYS 47 -1.591 4.604 -15.629 418 3HZ LYS 47 3HZ LYS 47 -0.794 3.154 -15.337 419 H GLN 48 H GLN 48 -1.355 -0.889 -14.667 420 HA GLN 48 HA GLN 48 1.294 -0.691 -13.991 421 1HB GLN 48 2HB GLN 48 0.257 -2.043 -15.828 422 2HB GLN 48 1HB GLN 48 0.216 -0.597 -16.816 423 1HG GLN 48 2HG GLN 48 2.718 -0.475 -16.534 424 2HG GLN 48 1HG GLN 48 2.617 -2.039 -15.747 425 1HE2 GLN 48 1HE2 GLN 48 2.353 -0.374 -18.733 426 2HE2 GLN 48 2HE2 GLN 48 2.245 -1.764 -19.765 427 H GLY 49 H GLY 49 2.665 0.946 -13.816 428 1HA GLY 49 2HA GLY 49 3.739 2.955 -14.322 429 2HA GLY 49 1HA GLY 49 2.494 3.291 -15.510 430 H GLU 50 H GLU 50 1.531 2.535 -12.233 431 HA GLU 50 HA GLU 50 0.516 5.236 -11.891 432 1HB GLU 50 2HB GLU 50 0.306 2.778 -10.205 433 2HB GLU 50 1HB GLU 50 -0.244 4.322 -9.601 434 1HG GLU 50 2HG GLU 50 -1.244 2.815 -11.996 435 2HG GLU 50 1HG GLU 50 -2.083 3.080 -10.471 436 H GLN 51 H GLN 51 3.100 3.387 -10.668 437 HA GLN 51 HA GLN 51 4.873 3.779 -9.352 438 1HB GLN 51 2HB GLN 51 5.391 5.836 -10.453 439 2HB GLN 51 1HB GLN 51 4.065 6.674 -9.671 440 1HG GLN 51 2HG GLN 51 5.212 6.706 -7.588 441 2HG GLN 51 1HG GLN 51 6.460 5.618 -8.194 442 1HE2 GLN 51 1HE2 GLN 51 6.560 8.365 -7.086 443 2HE2 GLN 51 2HE2 GLN 51 7.413 9.296 -8.251 444 H ILE 52 H ILE 52 5.008 3.027 -7.515 445 HA ILE 52 HA ILE 52 2.998 3.632 -5.466 446 HB ILE 52 HB ILE 52 4.368 0.966 -5.923 447 1HG1 ILE 52 2HG1 ILE 52 1.806 2.006 -7.143 448 2HG1 ILE 52 1HG1 ILE 52 3.209 1.251 -7.891 449 1HG2 ILE 52 1HG2 ILE 52 3.446 1.284 -3.689 450 2HG2 ILE 52 2HG2 ILE 52 2.528 0.065 -4.572 451 3HG2 ILE 52 3HG2 ILE 52 1.876 1.692 -4.379 452 1HD1 ILE 52 1HD1 ILE 52 2.646 -0.883 -6.947 453 2HD1 ILE 52 2HD1 ILE 52 1.254 -0.229 -7.829 454 3HD1 ILE 52 3HD1 ILE 52 1.299 -0.159 -6.078 455 H GLU 53 H GLU 53 4.004 2.811 -3.271 456 HA GLU 53 HA GLU 53 6.896 3.257 -3.238 457 1HB GLU 53 2HB GLU 53 4.971 4.154 -1.100 458 2HB GLU 53 1HB GLU 53 6.677 4.488 -1.257 459 1HG GLU 53 2HG GLU 53 6.408 5.984 -3.011 460 2HG GLU 53 1HG GLU 53 4.766 5.436 -3.346 461 H ILE 54 H ILE 54 7.927 1.751 -2.066 462 HA ILE 54 HA ILE 54 6.313 -0.384 -0.918 463 HB ILE 54 HB ILE 54 8.131 -1.112 -2.462 464 1HG1 ILE 54 2HG1 ILE 54 9.354 -2.679 -0.974 465 2HG1 ILE 54 1HG1 ILE 54 8.657 -1.845 0.408 466 1HG2 ILE 54 1HG2 ILE 54 10.032 0.134 -0.524 467 2HG2 ILE 54 2HG2 ILE 54 9.685 0.696 -2.156 468 3HG2 ILE 54 3HG2 ILE 54 10.466 -0.869 -1.905 469 1HD1 ILE 54 1HD1 ILE 54 7.146 -3.298 -1.729 470 2HD1 ILE 54 2HD1 ILE 54 6.447 -2.470 -0.328 471 3HD1 ILE 54 3HD1 ILE 54 7.490 -3.874 -0.098 472 H ILE 55 H ILE 55 6.092 -0.611 1.178 473 HA ILE 55 HA ILE 55 7.797 1.047 2.842 474 HB ILE 55 HB ILE 55 5.994 0.765 4.667 475 1HG1 ILE 55 2HG1 ILE 55 4.709 -0.942 3.157 476 2HG1 ILE 55 1HG1 ILE 55 3.770 0.209 4.101 477 1HG2 ILE 55 1HG2 ILE 55 6.498 2.878 3.653 478 2HG2 ILE 55 2HG2 ILE 55 4.758 2.721 3.875 479 3HG2 ILE 55 3HG2 ILE 55 5.465 2.503 2.273 480 1HD1 ILE 55 1HD1 ILE 55 4.466 0.360 1.179 481 2HD1 ILE 55 2HD1 ILE 55 3.554 1.580 2.063 482 3HD1 ILE 55 3HD1 ILE 55 2.894 -0.045 1.870 483 H ARG 56 H ARG 56 6.244 -2.196 2.931 484 HA ARG 56 HA ARG 56 8.617 -2.909 4.436 485 1HB ARG 56 2HB ARG 56 6.617 -2.811 6.079 486 2HB ARG 56 1HB ARG 56 5.880 -3.999 5.060 487 1HG ARG 56 2HG ARG 56 7.236 -5.675 5.599 488 2HG ARG 56 1HG ARG 56 8.569 -4.643 6.128 489 1HD ARG 56 2HD ARG 56 5.948 -4.823 7.591 490 2HD ARG 56 1HD ARG 56 7.246 -5.975 7.873 491 HE ARG 56 HE ARG 56 8.003 -3.193 8.122 492 1HH1 ARG 56 1HH1 ARG 56 6.802 -6.064 9.790 493 2HH1 ARG 56 2HH1 ARG 56 7.431 -5.641 11.317 494 1HH2 ARG 56 1HH2 ARG 56 8.866 -2.571 10.208 495 2HH2 ARG 56 2HH2 ARG 56 8.600 -3.556 11.572 496 H ILE 57 H ILE 57 9.550 -4.775 3.980 497 HA ILE 57 HA ILE 57 8.454 -6.324 1.746 498 HB ILE 57 HB ILE 57 10.948 -6.734 1.125 499 1HG1 ILE 57 2HG1 ILE 57 11.845 -5.409 3.110 500 2HG1 ILE 57 1HG1 ILE 57 12.554 -5.026 1.546 501 1HG2 ILE 57 1HG2 ILE 57 9.419 -5.726 -0.368 502 2HG2 ILE 57 2HG2 ILE 57 10.963 -4.876 -0.438 503 3HG2 ILE 57 3HG2 ILE 57 9.600 -4.165 0.429 504 1HD1 ILE 57 1HD1 ILE 57 12.123 -2.989 2.849 505 2HD1 ILE 57 2HD1 ILE 57 10.416 -3.457 2.956 506 3HD1 ILE 57 3HD1 ILE 57 11.100 -3.047 1.399 507 H THR 58 H THR 58 10.314 -6.373 4.731 508 HA THR 58 HA THR 58 10.523 -9.255 4.458 509 HB THR 58 HB THR 58 12.109 -8.950 6.460 510 HG1 THR 58 1HG THR 58 11.871 -6.939 7.168 511 1HG2 THR 58 1HG2 THR 58 12.783 -7.704 3.788 512 2HG2 THR 58 2HG2 THR 58 12.873 -9.424 4.180 513 3HG2 THR 58 3HG2 THR 58 13.954 -8.281 4.976 514 H ASP 59 H ASP 59 10.240 -10.548 6.493 515 HA ASP 59 HA ASP 59 9.032 -11.343 8.208 516 1HB ASP 59 2HB ASP 59 9.612 -9.185 9.395 517 2HB ASP 59 1HB ASP 59 8.150 -8.469 8.742 518 H ASN 60 H ASN 60 8.138 -10.815 5.537 519 HA ASN 60 HA ASN 60 5.333 -10.258 5.593 520 1HB ASN 60 2HB ASN 60 5.465 -10.475 3.149 521 2HB ASN 60 1HB ASN 60 6.644 -9.358 3.799 522 1HD2 ASN 60 1HD2 ASN 60 6.721 -10.464 1.290 523 2HD2 ASN 60 2HD2 ASN 60 8.123 -11.476 1.137 524 HA PRO 61 HA PRO 61 4.213 -14.475 6.391 525 1HB PRO 61 2HB PRO 61 1.453 -13.552 6.061 526 2HB PRO 61 1HB PRO 61 2.271 -14.150 7.507 527 1HG PRO 61 2HG PRO 61 1.578 -11.561 7.227 528 2HG PRO 61 1HG PRO 61 3.035 -12.061 8.104 529 1HD PRO 61 2HD PRO 61 2.771 -11.012 5.311 530 2HD PRO 61 1HD PRO 61 3.967 -10.603 6.564 531 H GLU 62 H GLU 62 2.835 -12.725 3.643 532 HA GLU 62 HA GLU 62 1.921 -15.221 2.407 533 1HB GLU 62 2HB GLU 62 1.514 -12.316 1.823 534 2HB GLU 62 1HB GLU 62 1.305 -13.481 0.536 535 1HG GLU 62 2HG GLU 62 -0.763 -12.763 1.627 536 2HG GLU 62 1HG GLU 62 -0.522 -14.497 1.653 537 H GLY 63 H GLY 63 4.599 -13.179 2.415 538 1HA GLY 63 2HA GLY 63 6.615 -13.523 1.229 539 2HA GLY 63 1HA GLY 63 5.745 -14.578 0.114 540 H LYS 64 H LYS 64 3.974 -11.894 0.672 541 HA LYS 64 HA LYS 64 4.808 -10.658 -1.808 542 1HB LYS 64 2HB LYS 64 2.591 -9.784 -1.935 543 2HB LYS 64 1HB LYS 64 2.443 -11.518 -1.640 544 1HG LYS 64 2HG LYS 64 2.085 -10.758 0.805 545 2HG LYS 64 1HG LYS 64 1.857 -9.158 0.111 546 1HD LYS 64 2HD LYS 64 0.156 -11.623 -0.331 547 2HD LYS 64 1HD LYS 64 -0.350 -10.026 0.228 548 1HE LYS 64 2HE LYS 64 0.330 -9.165 -2.085 549 2HE LYS 64 1HE LYS 64 0.535 -10.880 -2.469 550 1HZ LYS 64 1HZ LYS 64 -1.560 -9.919 -3.213 551 2HZ LYS 64 2HZ LYS 64 -2.077 -9.714 -1.621 552 3HZ LYS 64 3HZ LYS 64 -1.754 -11.275 -2.240 553 H TRP 65 H TRP 65 4.484 -8.233 -1.729 554 HA TRP 65 HA TRP 65 5.942 -7.207 0.628 555 1HB TRP 65 2HB TRP 65 5.661 -6.231 -2.195 556 2HB TRP 65 1HB TRP 65 6.371 -5.242 -0.940 557 HD1 TRP 65 HD TRP 65 7.792 -8.156 0.208 558 HE1 TRP 65 1HE TRP 65 9.982 -8.809 -0.904 559 HE3 TRP 65 3HE TRP 65 7.405 -5.271 -4.007 560 HZ2 TRP 65 2HZ TRP 65 11.396 -8.178 -3.307 561 HZ3 TRP 65 3HZ TRP 65 9.223 -5.356 -5.651 562 HH2 TRP 65 HH TRP 65 11.175 -6.776 -5.309 563 H LEU 66 H LEU 66 5.458 -4.776 0.958 564 HA LEU 66 HA LEU 66 2.535 -4.470 0.974 565 1HB LEU 66 2HB LEU 66 3.569 -4.746 3.201 566 2HB LEU 66 1HB LEU 66 4.584 -3.352 2.890 567 HG LEU 66 HG LEU 66 2.544 -1.947 2.762 568 1HD1 LEU 66 1HD1 LEU 66 0.460 -2.849 3.612 569 2HD1 LEU 66 2HD1 LEU 66 1.205 -4.452 3.691 570 3HD1 LEU 66 3HD1 LEU 66 0.975 -3.663 2.124 571 1HD2 LEU 66 1HD2 LEU 66 2.093 -1.952 5.150 572 2HD2 LEU 66 2HD2 LEU 66 3.817 -2.109 4.816 573 3HD2 LEU 66 3HD2 LEU 66 2.879 -3.524 5.297 574 H GLY 67 H GLY 67 1.939 -2.980 -0.536 575 1HA GLY 67 2HA GLY 67 3.753 -0.725 -0.903 576 2HA GLY 67 1HA GLY 67 2.777 -1.403 -2.219 577 H ARG 68 H ARG 68 2.819 1.309 -1.153 578 HA ARG 68 HA ARG 68 0.045 1.445 -0.145 579 1HB ARG 68 2HB ARG 68 1.609 2.059 1.546 580 2HB ARG 68 1HB ARG 68 2.366 3.285 0.521 581 1HG ARG 68 2HG ARG 68 0.037 4.354 0.535 582 2HG ARG 68 1HG ARG 68 -0.351 3.318 1.898 583 1HD ARG 68 2HD ARG 68 0.439 5.422 2.735 584 2HD ARG 68 1HD ARG 68 1.699 4.227 3.036 585 HE ARG 68 HE ARG 68 2.324 5.384 0.596 586 1HH1 ARG 68 1HH1 ARG 68 1.866 6.630 3.887 587 2HH1 ARG 68 2HH1 ARG 68 3.058 7.849 3.696 588 1HH2 ARG 68 1HH2 ARG 68 3.887 7.091 0.355 589 2HH2 ARG 68 2HH2 ARG 68 4.239 8.109 1.671 590 H THR 69 H THR 69 -1.149 3.136 -0.792 591 HA THR 69 HA THR 69 -0.475 4.441 -3.374 592 HB THR 69 HB THR 69 -3.134 4.468 -1.877 593 HG1 THR 69 1HG THR 69 -1.885 2.367 -2.841 594 1HG2 THR 69 1HG2 THR 69 -2.477 4.667 -4.824 595 2HG2 THR 69 2HG2 THR 69 -2.903 6.023 -3.780 596 3HG2 THR 69 3HG2 THR 69 -4.090 4.762 -4.115 597 H ALA 70 H ALA 70 -0.765 6.894 -3.406 598 HA ALA 70 HA ALA 70 0.592 8.149 -1.357 599 1HB ALA 70 1HB ALA 70 -1.364 9.443 -3.245 600 2HB ALA 70 2HB ALA 70 0.319 9.064 -3.613 601 3HB ALA 70 3HB ALA 70 -0.064 10.253 -2.371 602 H ARG 71 H ARG 71 -2.812 7.755 -1.677 603 HA ARG 71 HA ARG 71 -3.663 9.499 0.413 604 1HB ARG 71 2HB ARG 71 -5.806 8.320 0.203 605 2HB ARG 71 1HB ARG 71 -5.153 8.799 -1.357 606 1HG ARG 71 2HG ARG 71 -4.326 6.528 -1.711 607 2HG ARG 71 1HG ARG 71 -4.996 6.048 -0.152 608 1HD ARG 71 2HD ARG 71 -7.201 6.598 -0.925 609 2HD ARG 71 1HD ARG 71 -6.562 7.090 -2.504 610 HE ARG 71 HE ARG 71 -6.311 4.365 -1.417 611 1HH1 ARG 71 1HH1 ARG 71 -6.850 6.529 -4.169 612 2HH1 ARG 71 2HH1 ARG 71 -7.348 5.305 -5.227 613 1HH2 ARG 71 1HH2 ARG 71 -6.947 2.635 -2.946 614 2HH2 ARG 71 2HH2 ARG 71 -7.360 3.078 -4.536 615 H GLY 72 H GLY 72 -2.149 6.456 0.551 616 1HA GLY 72 2HA GLY 72 -1.592 5.193 2.370 617 2HA GLY 72 1HA GLY 72 -2.672 6.089 3.404 618 H SER 73 H SER 73 -2.283 3.416 1.273 619 HA SER 73 HA SER 73 -4.525 2.074 2.171 620 1HB SER 73 2HB SER 73 -4.085 2.555 -0.765 621 2HB SER 73 1HB SER 73 -5.403 1.646 -0.045 622 HG SER 73 HG SER 73 -5.532 3.975 1.072 623 H TYR 74 H TYR 74 -3.638 0.238 2.316 624 HA TYR 74 HA TYR 74 -0.933 -0.112 1.244 625 1HB TYR 74 2HB TYR 74 -2.276 -0.712 3.698 626 2HB TYR 74 1HB TYR 74 -0.770 -1.622 3.365 627 HD1 TYR 74 1HD TYR 74 1.351 -0.287 3.574 628 HD2 TYR 74 2HD TYR 74 -2.414 1.502 4.392 629 HE1 TYR 74 1HE TYR 74 2.487 1.563 4.719 630 HE2 TYR 74 2HE TYR 74 -1.290 3.366 5.531 631 HH TYR 74 HH TYR 74 2.065 3.914 5.338 632 H GLY 75 H GLY 75 -1.376 -1.383 -0.493 633 1HA GLY 75 2HA GLY 75 -2.918 -3.725 0.041 634 2HA GLY 75 1HA GLY 75 -2.559 -3.025 -1.545 635 H TYR 76 H TYR 76 -1.531 -4.823 0.959 636 HA TYR 76 HA TYR 76 1.074 -5.545 0.484 637 1HB TYR 76 2HB TYR 76 -0.633 -7.944 0.763 638 2HB TYR 76 1HB TYR 76 0.585 -7.310 1.870 639 HD1 TYR 76 1HD TYR 76 -0.049 -6.068 3.841 640 HD2 TYR 76 2HD TYR 76 -2.927 -6.998 0.846 641 HE1 TYR 76 1HE TYR 76 -1.852 -5.262 5.292 642 HE2 TYR 76 2HE TYR 76 -4.709 -6.205 2.295 643 HH TYR 76 HH TYR 76 -5.230 -5.600 4.309 644 H ILE 77 H ILE 77 1.865 -5.645 -1.484 645 HA ILE 77 HA ILE 77 0.429 -6.493 -3.817 646 HB ILE 77 HB ILE 77 2.763 -6.113 -4.715 647 1HG1 ILE 77 2HG1 ILE 77 2.860 -4.508 -2.161 648 2HG1 ILE 77 1HG1 ILE 77 3.932 -5.805 -2.662 649 1HG2 ILE 77 1HG2 ILE 77 2.131 -3.691 -5.037 650 2HG2 ILE 77 2HG2 ILE 77 0.919 -3.896 -3.761 651 3HG2 ILE 77 3HG2 ILE 77 0.769 -4.794 -5.284 652 1HD1 ILE 77 1HD1 ILE 77 4.983 -3.647 -2.869 653 2HD1 ILE 77 2HD1 ILE 77 3.685 -3.120 -3.964 654 3HD1 ILE 77 3HD1 ILE 77 4.778 -4.420 -4.446 655 H LYS 78 H LYS 78 0.852 -8.238 -4.977 656 HA LYS 78 HA LYS 78 2.851 -9.980 -4.035 657 1HB LYS 78 2HB LYS 78 2.328 -11.340 -6.008 658 2HB LYS 78 1HB LYS 78 0.828 -10.857 -5.230 659 1HG LYS 78 2HG LYS 78 0.506 -9.135 -6.885 660 2HG LYS 78 1HG LYS 78 2.120 -9.573 -7.511 661 1HD LYS 78 2HD LYS 78 1.296 -11.756 -8.197 662 2HD LYS 78 1HD LYS 78 -0.262 -11.457 -7.427 663 1HE LYS 78 2HE LYS 78 0.826 -9.861 -9.744 664 2HE LYS 78 1HE LYS 78 -0.278 -11.224 -9.915 665 1HZ LYS 78 1HZ LYS 78 -1.938 -10.050 -8.713 666 2HZ LYS 78 2HZ LYS 78 -1.389 -9.021 -9.939 667 3HZ LYS 78 3HZ LYS 78 -0.920 -8.787 -8.320 668 H THR 79 H THR 79 4.547 -9.496 -4.333 669 HA THR 79 HA THR 79 6.194 -7.562 -5.121 670 HB THR 79 HB THR 79 8.091 -9.096 -5.205 671 HG1 THR 79 1HG THR 79 7.857 -11.002 -6.009 672 1HG2 THR 79 1HG2 THR 79 7.680 -10.404 -3.180 673 2HG2 THR 79 2HG2 THR 79 5.944 -10.143 -3.358 674 3HG2 THR 79 3HG2 THR 79 7.011 -8.778 -3.022 675 H THR 80 H THR 80 5.202 -10.104 -7.281 676 HA THR 80 HA THR 80 6.758 -9.379 -9.511 677 HB THR 80 HB THR 80 5.974 -11.644 -9.178 678 HG1 THR 80 1HG THR 80 6.167 -11.561 -11.280 679 1HG2 THR 80 1HG2 THR 80 3.186 -10.542 -9.534 680 2HG2 THR 80 2HG2 THR 80 3.880 -11.145 -8.043 681 3HG2 THR 80 3HG2 THR 80 3.596 -12.253 -9.383 682 H ALA 81 H ALA 81 3.922 -7.836 -8.250 683 HA ALA 81 HA ALA 81 2.969 -7.036 -10.860 684 1HB ALA 81 1HB ALA 81 1.169 -5.945 -9.628 685 2HB ALA 81 2HB ALA 81 1.980 -6.321 -8.103 686 3HB ALA 81 3HB ALA 81 1.353 -7.623 -9.115 687 H VAL 82 H VAL 82 5.249 -5.990 -8.603 688 HA VAL 82 HA VAL 82 5.326 -3.372 -9.935 689 HB VAL 82 HB VAL 82 6.164 -2.319 -7.861 690 1HG1 VAL 82 1HG1 VAL 82 4.016 -2.116 -6.707 691 2HG1 VAL 82 2HG1 VAL 82 3.394 -3.501 -7.605 692 3HG1 VAL 82 3HG1 VAL 82 3.835 -2.016 -8.451 693 1HG2 VAL 82 1HG2 VAL 82 5.292 -4.888 -6.543 694 2HG2 VAL 82 2HG2 VAL 82 5.789 -3.428 -5.697 695 3HG2 VAL 82 3HG2 VAL 82 6.952 -4.308 -6.692 696 H GLU 83 H GLU 83 7.351 -2.349 -9.813 697 HA GLU 83 HA GLU 83 9.637 -4.108 -9.301 698 1HB GLU 83 2HB GLU 83 9.238 -2.175 -11.568 699 2HB GLU 83 1HB GLU 83 10.755 -3.023 -11.253 700 1HG GLU 83 2HG GLU 83 9.539 -5.163 -11.626 701 2HG GLU 83 1HG GLU 83 8.117 -4.224 -12.069 702 H ILE 84 H ILE 84 10.654 -3.168 -7.638 703 HA ILE 84 HA ILE 84 10.053 -0.438 -7.003 704 HB ILE 84 HB ILE 84 11.409 -0.602 -5.037 705 1HG1 ILE 84 2HG1 ILE 84 12.291 -3.368 -5.841 706 2HG1 ILE 84 1HG1 ILE 84 13.245 -1.938 -6.229 707 1HG2 ILE 84 1HG2 ILE 84 9.874 -3.159 -5.473 708 2HG2 ILE 84 2HG2 ILE 84 9.221 -1.622 -4.900 709 3HG2 ILE 84 3HG2 ILE 84 10.375 -2.516 -3.907 710 1HD1 ILE 84 1HD1 ILE 84 13.384 -1.380 -3.890 711 2HD1 ILE 84 2HD1 ILE 84 14.041 -2.986 -4.202 712 3HD1 ILE 84 3HD1 ILE 84 12.430 -2.800 -3.474 713 H ASP 85 H ASP 85 11.756 1.130 -6.463 714 HA ASP 85 HA ASP 85 13.697 1.277 -8.603 715 1HB ASP 85 2HB ASP 85 12.564 3.333 -7.872 716 2HB ASP 85 1HB ASP 85 13.239 3.148 -6.258 717 H TYR 86 H TYR 86 15.298 -0.046 -8.399 718 HA TYR 86 HA TYR 86 16.421 -0.756 -5.818 719 1HB TYR 86 2HB TYR 86 17.557 -1.302 -8.512 720 2HB TYR 86 1HB TYR 86 17.931 -2.141 -7.037 721 HD1 TYR 86 1HD TYR 86 16.341 -3.771 -6.037 722 HD2 TYR 86 2HD TYR 86 15.588 -1.980 -9.810 723 HE1 TYR 86 1HE TYR 86 14.672 -5.510 -6.525 724 HE2 TYR 86 2HE TYR 86 13.919 -3.705 -10.306 725 HH TYR 86 HH TYR 86 13.396 -5.928 -9.665 726 H ASP 87 H ASP 87 17.644 0.765 -4.937 727 HA ASP 87 HA ASP 87 19.008 2.590 -6.649 728 1HB ASP 87 2HB ASP 87 19.655 3.758 -4.743 729 2HB ASP 87 1HB ASP 87 17.946 3.400 -4.574 730 H SER 88 H SER 88 20.922 2.357 -7.408 731 HA SER 88 HA SER 88 22.519 0.143 -6.487 732 1HB SER 88 2HB SER 88 23.817 0.713 -8.600 733 2HB SER 88 1HB SER 88 22.160 0.145 -8.821 734 HG SER 88 HG SER 88 21.724 1.938 -9.760 735 H LEU 89 H LEU 89 24.779 0.388 -6.123 736 HA LEU 89 HA LEU 89 25.346 2.691 -4.540 737 1HB LEU 89 2HB LEU 89 27.087 0.365 -5.356 738 2HB LEU 89 1HB LEU 89 27.514 1.573 -4.162 739 HG LEU 89 HG LEU 89 25.219 -0.372 -3.913 740 1HD1 LEU 89 1HD1 LEU 89 27.910 -0.326 -2.563 741 2HD1 LEU 89 2HD1 LEU 89 27.373 -1.489 -3.775 742 3HD1 LEU 89 3HD1 LEU 89 26.589 -1.437 -2.196 743 1HD2 LEU 89 1HD2 LEU 89 24.805 1.728 -2.741 744 2HD2 LEU 89 2HD2 LEU 89 26.371 1.597 -1.938 745 3HD2 LEU 89 3HD2 LEU 89 25.104 0.419 -1.600 746 H LYS 90 H LYS 90 26.373 4.433 -5.134 747 HA LYS 90 HA LYS 90 27.420 4.510 -7.863 748 1HB LYS 90 2HB LYS 90 27.202 7.020 -7.740 749 2HB LYS 90 1HB LYS 90 25.685 6.151 -7.680 750 1HG LYS 90 2HG LYS 90 27.046 7.204 -5.205 751 2HG LYS 90 1HG LYS 90 25.948 8.182 -6.169 752 1HD LYS 90 2HD LYS 90 25.269 5.565 -4.811 753 2HD LYS 90 1HD LYS 90 24.807 7.170 -4.247 754 1HE LYS 90 2HE LYS 90 23.520 7.512 -6.312 755 2HE LYS 90 1HE LYS 90 23.975 5.898 -6.855 756 1HZ LYS 90 1HZ LYS 90 22.402 6.521 -4.421 757 2HZ LYS 90 2HZ LYS 90 22.769 4.968 -4.954 758 3HZ LYS 90 3HZ LYS 90 21.757 5.972 -5.875 759 H LEU 91 H LEU 91 28.484 3.969 -5.004 760 HA LEU 91 HA LEU 91 31.180 4.833 -5.660 761 1HB LEU 91 2HB LEU 91 29.930 4.959 -2.888 762 2HB LEU 91 1HB LEU 91 31.642 5.053 -3.187 763 HG LEU 91 HG LEU 91 30.978 7.203 -2.698 764 1HD1 LEU 91 1HD1 LEU 91 31.141 7.067 -5.674 765 2HD1 LEU 91 2HD1 LEU 91 32.474 7.178 -4.527 766 3HD1 LEU 91 3HD1 LEU 91 31.343 8.522 -4.698 767 1HD2 LEU 91 1HD2 LEU 91 28.577 6.989 -2.856 768 2HD2 LEU 91 2HD2 LEU 91 28.669 6.935 -4.617 769 3HD2 LEU 91 3HD2 LEU 91 29.111 8.410 -3.755 770 H LYS 92 H LYS 92 32.652 3.448 -4.130 771 HA LYS 92 HA LYS 92 31.777 0.665 -4.314 772 1HB LYS 92 2HB LYS 92 34.361 1.765 -3.166 773 2HB LYS 92 1HB LYS 92 34.076 0.153 -3.809 774 1HG LYS 92 2HG LYS 92 33.928 1.012 -6.046 775 2HG LYS 92 1HG LYS 92 34.037 2.669 -5.456 776 1HD LYS 92 2HD LYS 92 36.293 2.064 -4.521 777 2HD LYS 92 1HD LYS 92 36.162 0.542 -5.409 778 1HE LYS 92 2HE LYS 92 37.431 2.124 -6.719 779 2HE LYS 92 1HE LYS 92 35.882 1.824 -7.501 780 1HZ LYS 92 1HZ LYS 92 36.480 4.181 -7.484 781 2HZ LYS 92 2HZ LYS 92 36.515 4.201 -5.811 782 3HZ LYS 92 3HZ LYS 92 35.053 3.926 -6.627 783 H LYS 93 H LYS 93 33.086 2.960 -2.069 784 HA LYS 93 HA LYS 93 31.277 3.028 -0.088 785 1HB LYS 93 2HB LYS 93 31.925 0.585 0.360 786 2HB LYS 93 1HB LYS 93 33.548 1.154 0.714 787 1HG LYS 93 2HG LYS 93 32.733 2.427 2.599 788 2HG LYS 93 1HG LYS 93 31.071 1.971 2.216 789 1HD LYS 93 2HD LYS 93 31.625 -0.378 2.614 790 2HD LYS 93 1HD LYS 93 33.293 0.077 2.974 791 1HE LYS 93 2HE LYS 93 32.553 1.380 4.879 792 2HE LYS 93 1HE LYS 93 30.870 1.027 4.495 793 1HZ LYS 93 1HZ LYS 93 31.302 -1.293 4.894 794 2HZ LYS 93 2HZ LYS 93 31.657 -0.396 6.259 795 3HZ LYS 93 3HZ LYS 93 32.916 -0.997 5.277 796 H ASP 94 H ASP 94 31.949 5.049 -0.567 797 HA ASP 94 HA ASP 94 34.713 5.771 -0.642 798 1HB ASP 94 2HB ASP 94 33.183 6.872 -2.151 799 2HB ASP 94 1HB ASP 94 32.253 7.509 -0.797 800 H LEU 95 H LEU 95 32.101 7.127 1.361 801 HA LEU 95 HA LEU 95 34.149 8.181 3.077 802 1HB LEU 95 2HB LEU 95 32.234 9.571 2.423 803 2HB LEU 95 1HB LEU 95 31.157 8.473 3.256 804 HG LEU 95 HG LEU 95 32.220 9.077 5.402 805 1HD1 LEU 95 1HD1 LEU 95 33.747 10.976 5.505 806 2HD1 LEU 95 2HD1 LEU 95 33.765 11.063 3.744 807 3HD1 LEU 95 3HD1 LEU 95 34.438 9.653 4.564 808 1HD2 LEU 95 1HD2 LEU 95 31.246 11.417 3.773 809 2HD2 LEU 95 2HD2 LEU 95 31.304 11.337 5.535 810 3HD2 LEU 95 3HD2 LEU 95 30.233 10.261 4.635 811 H GLU 96 H GLU 96 35.007 6.380 3.920 812 HA GLU 96 HA GLU 96 34.229 5.678 6.450 813 1HB GLU 96 2HB GLU 96 32.499 4.295 5.090 814 2HB GLU 96 1HB GLU 96 33.872 3.307 4.599 815 1HG GLU 96 2HG GLU 96 32.753 2.283 6.475 816 2HG GLU 96 1HG GLU 96 34.351 2.840 6.973 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 -16.631 15.061 1.062 2 2H GLU 1 2HT GLU 1 -15.066 15.719 0.860 3 3H GLU 1 3HT GLU 1 -16.353 16.311 -0.024 4 HA GLU 1 HA GLU 1 -17.378 17.311 1.741 5 1HB GLU 1 2HB GLU 1 -15.186 16.125 3.455 6 2HB GLU 1 1HB GLU 1 -16.382 17.291 3.999 7 1HG GLU 1 2HG GLU 1 -18.148 15.663 3.536 8 2HG GLU 1 1HG GLU 1 -16.919 14.492 3.054 9 H LYS 2 H LYS 2 -16.929 19.370 1.972 10 HA LYS 2 HA LYS 2 -14.343 20.248 0.935 11 1HB LYS 2 2HB LYS 2 -16.493 20.831 -0.215 12 2HB LYS 2 1HB LYS 2 -16.966 21.714 1.222 13 1HG LYS 2 2HG LYS 2 -15.157 23.276 0.890 14 2HG LYS 2 1HG LYS 2 -14.586 22.350 -0.507 15 1HD LYS 2 2HD LYS 2 -16.769 22.699 -1.588 16 2HD LYS 2 1HD LYS 2 -17.267 23.685 -0.218 17 1HE LYS 2 2HE LYS 2 -15.483 25.264 -0.704 18 2HE LYS 2 1HE LYS 2 -14.959 24.265 -2.063 19 1HZ LYS 2 1HZ LYS 2 -16.331 26.052 -2.855 20 2HZ LYS 2 2HZ LYS 2 -17.595 25.599 -1.793 21 3HZ LYS 2 3HZ LYS 2 -17.141 24.583 -3.054 22 H LYS 3 H LYS 3 -13.257 21.925 2.013 23 HA LYS 3 HA LYS 3 -12.414 23.096 3.681 24 1HB LYS 3 2HB LYS 3 -15.200 23.091 4.854 25 2HB LYS 3 1HB LYS 3 -13.864 24.032 5.484 26 1HG LYS 3 2HG LYS 3 -15.072 24.357 2.728 27 2HG LYS 3 1HG LYS 3 -15.470 25.346 4.125 28 1HD LYS 3 2HD LYS 3 -13.922 26.628 2.884 29 2HD LYS 3 1HD LYS 3 -12.981 25.940 4.205 30 1HE LYS 3 2HE LYS 3 -12.200 24.165 2.660 31 2HE LYS 3 1HE LYS 3 -13.089 24.948 1.357 32 1HZ LYS 3 1HZ LYS 3 -11.703 26.938 1.733 33 2HZ LYS 3 2HZ LYS 3 -10.785 25.564 1.304 34 3HZ LYS 3 3HZ LYS 3 -10.816 26.070 2.885 35 H GLU 4 H GLU 4 -11.273 21.192 3.932 36 HA GLU 4 HA GLU 4 -10.159 19.724 5.081 37 1HB GLU 4 2HB GLU 4 -11.152 21.293 7.451 38 2HB GLU 4 1HB GLU 4 -10.030 19.953 7.600 39 1HG GLU 4 2HG GLU 4 -8.792 21.996 7.652 40 2HG GLU 4 1HG GLU 4 -8.446 21.172 6.139 41 H GLN 5 H GLN 5 -11.556 18.222 4.185 42 HA GLN 5 HA GLN 5 -13.413 16.791 5.799 43 1HB GLN 5 2HB GLN 5 -13.452 16.554 3.392 44 2HB GLN 5 1HB GLN 5 -11.777 16.030 3.375 45 1HG GLN 5 2HG GLN 5 -12.407 13.990 4.554 46 2HG GLN 5 1HG GLN 5 -14.084 14.524 4.575 47 1HE2 GLN 5 1HE2 GLN 5 -11.476 13.416 2.598 48 2HE2 GLN 5 2HE2 GLN 5 -12.452 12.996 1.224 49 H LYS 6 H LYS 6 -13.000 15.027 7.166 50 HA LYS 6 HA LYS 6 -10.202 14.568 7.785 51 1HB LYS 6 2HB LYS 6 -12.724 13.532 9.121 52 2HB LYS 6 1HB LYS 6 -11.106 13.083 9.609 53 1HG LYS 6 2HG LYS 6 -11.888 14.680 11.162 54 2HG LYS 6 1HG LYS 6 -10.707 15.505 10.152 55 1HD LYS 6 2HD LYS 6 -12.486 16.566 8.890 56 2HD LYS 6 1HD LYS 6 -13.702 15.654 9.789 57 1HE LYS 6 2HE LYS 6 -12.925 16.742 11.865 58 2HE LYS 6 1HE LYS 6 -11.789 17.693 10.907 59 1HZ LYS 6 1HZ LYS 6 -14.715 17.728 10.465 60 2HZ LYS 6 2HZ LYS 6 -13.581 18.857 9.875 61 3HZ LYS 6 3HZ LYS 6 -13.943 18.768 11.515 62 H GLU 7 H GLU 7 -9.191 12.964 6.898 63 HA GLU 7 HA GLU 7 -10.462 11.163 5.139 64 1HB GLU 7 2HB GLU 7 -7.667 11.540 6.063 65 2HB GLU 7 1HB GLU 7 -8.081 9.965 5.405 66 1HG GLU 7 2HG GLU 7 -7.092 11.558 3.768 67 2HG GLU 7 1HG GLU 7 -8.652 10.899 3.302 68 H LYS 8 H LYS 8 -12.051 10.322 6.482 69 HA LYS 8 HA LYS 8 -11.234 8.234 8.354 70 1HB LYS 8 2HB LYS 8 -13.602 8.034 8.908 71 2HB LYS 8 1HB LYS 8 -13.128 9.723 8.976 72 1HG LYS 8 2HG LYS 8 -14.149 10.093 6.791 73 2HG LYS 8 1HG LYS 8 -14.606 8.391 6.720 74 1HD LYS 8 2HD LYS 8 -15.918 8.726 8.810 75 2HD LYS 8 1HD LYS 8 -15.558 10.452 8.700 76 1HE LYS 8 2HE LYS 8 -17.735 10.027 7.752 77 2HE LYS 8 1HE LYS 8 -16.615 10.491 6.471 78 1HZ LYS 8 1HZ LYS 8 -17.942 8.609 5.766 79 2HZ LYS 8 2HZ LYS 8 -17.525 7.755 7.140 80 3HZ LYS 8 3HZ LYS 8 -16.342 8.094 5.968 81 H GLU 9 H GLU 9 -11.338 8.567 5.257 82 HA GLU 9 HA GLU 9 -12.595 6.159 4.340 83 1HB GLU 9 2HB GLU 9 -12.248 8.248 3.008 84 2HB GLU 9 1HB GLU 9 -10.524 7.934 3.044 85 1HG GLU 9 2HG GLU 9 -10.901 5.862 1.809 86 2HG GLU 9 1HG GLU 9 -12.627 6.232 1.753 87 H LYS 10 H LYS 10 -9.626 7.172 5.687 88 HA LYS 10 HA LYS 10 -7.988 4.991 4.823 89 1HB LYS 10 2HB LYS 10 -7.125 7.252 5.527 90 2HB LYS 10 1HB LYS 10 -7.640 6.893 7.163 91 1HG LYS 10 2HG LYS 10 -5.269 6.568 6.943 92 2HG LYS 10 1HG LYS 10 -6.058 5.015 7.225 93 1HD LYS 10 2HD LYS 10 -5.888 4.448 4.893 94 2HD LYS 10 1HD LYS 10 -5.276 6.059 4.506 95 1HE LYS 10 2HE LYS 10 -3.893 4.030 6.265 96 2HE LYS 10 1HE LYS 10 -3.489 4.373 4.585 97 1HZ LYS 10 1HZ LYS 10 -2.923 6.648 5.220 98 2HZ LYS 10 2HZ LYS 10 -2.031 5.549 6.170 99 3HZ LYS 10 3HZ LYS 10 -3.341 6.329 6.822 100 H LYS 11 H LYS 11 -8.993 3.133 5.355 101 HA LYS 11 HA LYS 11 -9.783 2.664 8.172 102 1HB LYS 11 2HB LYS 11 -11.066 1.566 5.660 103 2HB LYS 11 1HB LYS 11 -11.503 1.108 7.295 104 1HG LYS 11 2HG LYS 11 -11.756 3.888 6.157 105 2HG LYS 11 1HG LYS 11 -13.065 2.711 6.239 106 1HD LYS 11 2HD LYS 11 -11.552 3.799 8.618 107 2HD LYS 11 1HD LYS 11 -13.125 4.380 8.075 108 1HE LYS 11 2HE LYS 11 -14.022 2.087 8.422 109 2HE LYS 11 1HE LYS 11 -12.458 1.616 9.083 110 1HZ LYS 11 1HZ LYS 11 -13.976 2.172 10.875 111 2HZ LYS 11 2HZ LYS 11 -14.301 3.663 10.172 112 3HZ LYS 11 3HZ LYS 11 -12.789 3.375 10.815 113 H GLU 12 H GLU 12 -7.423 2.134 6.302 114 HA GLU 12 HA GLU 12 -7.255 -0.677 6.021 115 1HB GLU 12 2HB GLU 12 -5.228 1.529 5.707 116 2HB GLU 12 1HB GLU 12 -4.813 -0.156 5.492 117 1HG GLU 12 2HG GLU 12 -5.242 1.067 3.375 118 2HG GLU 12 1HG GLU 12 -6.259 -0.347 3.595 119 H GLN 13 H GLN 13 -7.883 -0.871 8.368 120 HA GLN 13 HA GLN 13 -5.614 -0.888 10.197 121 1HB GLN 13 2HB GLN 13 -8.059 -0.259 10.804 122 2HB GLN 13 1HB GLN 13 -8.414 -1.968 10.676 123 1HG GLN 13 2HG GLN 13 -6.358 -0.859 12.574 124 2HG GLN 13 1HG GLN 13 -8.054 -1.018 12.989 125 1HE2 GLN 13 1HE2 GLN 13 -5.700 -2.199 14.148 126 2HE2 GLN 13 2HE2 GLN 13 -5.888 -3.906 14.115 127 H GLU 14 H GLU 14 -7.371 -2.756 8.084 128 HA GLU 14 HA GLU 14 -7.055 -5.424 8.748 129 1HB GLU 14 2HB GLU 14 -6.911 -4.193 6.000 130 2HB GLU 14 1HB GLU 14 -7.239 -5.879 6.357 131 1HG GLU 14 2HG GLU 14 -8.969 -3.553 7.153 132 2HG GLU 14 1HG GLU 14 -9.252 -4.624 5.779 133 H ILE 15 H ILE 15 -4.743 -3.167 7.442 134 HA ILE 15 HA ILE 15 -2.960 -5.061 6.305 135 HB ILE 15 HB ILE 15 -1.432 -3.200 5.929 136 1HG1 ILE 15 2HG1 ILE 15 -3.126 -1.388 7.615 137 2HG1 ILE 15 1HG1 ILE 15 -1.889 -2.369 8.392 138 1HG2 ILE 15 1HG2 ILE 15 -4.282 -2.252 5.747 139 2HG2 ILE 15 2HG2 ILE 15 -3.439 -3.252 4.568 140 3HG2 ILE 15 3HG2 ILE 15 -2.904 -1.595 4.858 141 1HD1 ILE 15 1HD1 ILE 15 -1.452 -0.409 6.179 142 2HD1 ILE 15 2HD1 ILE 15 -0.228 -1.411 6.971 143 3HD1 ILE 15 3HD1 ILE 15 -1.079 -0.171 7.902 144 H LYS 16 H LYS 16 -3.411 -3.756 9.443 145 HA LYS 16 HA LYS 16 -0.799 -4.351 10.498 146 1HB LYS 16 2HB LYS 16 -3.377 -3.685 11.945 147 2HB LYS 16 1HB LYS 16 -1.741 -3.539 12.582 148 1HG LYS 16 2HG LYS 16 -1.237 -1.733 11.114 149 2HG LYS 16 1HG LYS 16 -2.724 -1.983 10.202 150 1HD LYS 16 2HD LYS 16 -3.073 -0.099 11.569 151 2HD LYS 16 1HD LYS 16 -3.977 -1.416 12.296 152 1HE LYS 16 2HE LYS 16 -2.861 -0.184 14.050 153 2HE LYS 16 1HE LYS 16 -2.131 -1.779 13.902 154 1HZ LYS 16 1HZ LYS 16 -0.505 0.009 14.178 155 2HZ LYS 16 2HZ LYS 16 -0.990 0.709 12.722 156 3HZ LYS 16 3HZ LYS 16 -0.261 -0.799 12.721 157 H LYS 17 H LYS 17 -3.603 -5.967 9.797 158 HA LYS 17 HA LYS 17 -2.999 -8.206 11.606 159 1HB LYS 17 2HB LYS 17 -5.571 -7.497 10.188 160 2HB LYS 17 1HB LYS 17 -5.337 -8.841 11.296 161 1HG LYS 17 2HG LYS 17 -4.902 -7.265 13.114 162 2HG LYS 17 1HG LYS 17 -5.133 -5.922 12.002 163 1HD LYS 17 2HD LYS 17 -7.170 -6.128 13.172 164 2HD LYS 17 1HD LYS 17 -7.462 -6.840 11.594 165 1HE LYS 17 2HE LYS 17 -6.839 -8.388 14.114 166 2HE LYS 17 1HE LYS 17 -8.453 -8.126 13.477 167 1HZ LYS 17 1HZ LYS 17 -7.779 -10.262 12.828 168 2HZ LYS 17 2HZ LYS 17 -6.272 -9.764 12.326 169 3HZ LYS 17 3HZ LYS 17 -7.645 -9.334 11.414 170 H LYS 18 H LYS 18 -2.233 -7.201 8.707 171 HA LYS 18 HA LYS 18 -2.740 -9.787 7.390 172 1HB LYS 18 2HB LYS 18 -3.856 -7.700 6.411 173 2HB LYS 18 1HB LYS 18 -2.239 -7.227 5.913 174 1HG LYS 18 2HG LYS 18 -3.148 -8.292 4.048 175 2HG LYS 18 1HG LYS 18 -2.090 -9.499 4.781 176 1HD LYS 18 2HD LYS 18 -4.183 -10.540 4.167 177 2HD LYS 18 1HD LYS 18 -4.064 -10.461 5.929 178 1HE LYS 18 2HE LYS 18 -5.433 -8.440 5.923 179 2HE LYS 18 1HE LYS 18 -5.597 -8.529 4.179 180 1HZ LYS 18 1HZ LYS 18 -6.601 -10.471 6.184 181 2HZ LYS 18 2HZ LYS 18 -6.744 -10.707 4.504 182 3HZ LYS 18 3HZ LYS 18 -7.517 -9.408 5.258 183 H PHE 19 H PHE 19 -0.528 -6.938 7.089 184 HA PHE 19 HA PHE 19 1.568 -8.834 6.395 185 1HB PHE 19 2HB PHE 19 1.109 -6.516 5.236 186 2HB PHE 19 1HB PHE 19 1.917 -5.836 6.638 187 HD1 PHE 19 1HD PHE 19 4.271 -6.954 7.161 188 HD2 PHE 19 2HD PHE 19 2.371 -6.955 3.374 189 HE1 PHE 19 1HE PHE 19 6.447 -7.227 6.074 190 HE2 PHE 19 2HE PHE 19 4.549 -7.231 2.295 191 HZ PHE 19 HZ PHE 19 6.602 -7.350 3.643 192 H LYS 20 H LYS 20 0.389 -6.793 8.892 193 HA LYS 20 HA LYS 20 0.824 -6.538 11.088 194 1HB LYS 20 2HB LYS 20 0.845 -8.982 11.242 195 2HB LYS 20 1HB LYS 20 2.517 -9.019 10.709 196 1HG LYS 20 2HG LYS 20 3.051 -7.682 12.807 197 2HG LYS 20 1HG LYS 20 1.420 -8.088 13.339 198 1HD LYS 20 2HD LYS 20 2.855 -9.724 14.295 199 2HD LYS 20 1HD LYS 20 2.037 -10.518 12.950 200 1HE LYS 20 2HE LYS 20 4.844 -9.369 12.850 201 2HE LYS 20 1HE LYS 20 4.462 -11.066 13.090 202 1HZ LYS 20 1HZ LYS 20 5.068 -10.603 10.790 203 2HZ LYS 20 2HZ LYS 20 3.858 -9.460 10.657 204 3HZ LYS 20 3HZ LYS 20 3.443 -11.091 10.873 205 H LEU 21 H LEU 21 1.749 -4.662 10.963 206 HA LEU 21 HA LEU 21 4.593 -4.549 10.335 207 1HB LEU 21 2HB LEU 21 2.610 -2.292 10.489 208 2HB LEU 21 1HB LEU 21 4.289 -2.177 10.031 209 HG LEU 21 HG LEU 21 3.204 -2.092 7.988 210 1HD1 LEU 21 1HD1 LEU 21 4.936 -3.731 7.897 211 2HD1 LEU 21 2HD1 LEU 21 3.587 -4.204 6.843 212 3HD1 LEU 21 3HD1 LEU 21 3.798 -4.981 8.404 213 1HD2 LEU 21 1HD2 LEU 21 1.333 -3.521 7.286 214 2HD2 LEU 21 2HD2 LEU 21 0.911 -2.593 8.720 215 3HD2 LEU 21 3HD2 LEU 21 1.326 -4.303 8.861 216 H THR 22 H THR 22 2.464 -4.416 12.879 217 HA THR 22 HA THR 22 2.500 -4.005 14.952 218 HB THR 22 HB THR 22 4.594 -3.958 16.351 219 HG1 THR 22 1HG THR 22 5.772 -3.580 13.860 220 1HG2 THR 22 1HG2 THR 22 4.526 -6.090 14.236 221 2HG2 THR 22 2HG2 THR 22 3.583 -6.072 15.725 222 3HG2 THR 22 3HG2 THR 22 5.345 -6.217 15.791 223 H GLY 23 H GLY 23 4.751 -1.650 13.537 224 1HA GLY 23 2HA GLY 23 3.071 0.394 14.786 225 2HA GLY 23 1HA GLY 23 4.830 0.486 14.905 226 HA PRO 24 HA PRO 24 3.885 2.624 10.975 227 1HB PRO 24 2HB PRO 24 5.607 4.642 11.249 228 2HB PRO 24 1HB PRO 24 4.075 4.637 12.134 229 1HG PRO 24 2HG PRO 24 6.815 3.904 13.093 230 2HG PRO 24 1HG PRO 24 5.572 4.885 13.897 231 1HD PRO 24 2HD PRO 24 6.009 2.234 14.452 232 2HD PRO 24 1HD PRO 24 4.446 3.053 14.660 233 H ILE 25 H ILE 25 5.427 3.263 9.224 234 HA ILE 25 HA ILE 25 8.105 2.348 9.330 235 HB ILE 25 HB ILE 25 7.122 0.162 8.962 236 1HG1 ILE 25 2HG1 ILE 25 8.106 -0.489 6.788 237 2HG1 ILE 25 1HG1 ILE 25 8.214 1.208 6.342 238 1HG2 ILE 25 1HG2 ILE 25 5.617 1.322 6.630 239 2HG2 ILE 25 2HG2 ILE 25 4.938 0.770 8.160 240 3HG2 ILE 25 3HG2 ILE 25 5.684 -0.388 7.058 241 1HD1 ILE 25 1HD1 ILE 25 9.780 1.585 8.179 242 2HD1 ILE 25 2HD1 ILE 25 10.360 0.348 7.062 243 3HD1 ILE 25 3HD1 ILE 25 9.669 -0.122 8.616 244 H GLN 26 H GLN 26 9.279 3.517 8.015 245 HA GLN 26 HA GLN 26 8.009 5.503 6.360 246 1HB GLN 26 2HB GLN 26 10.280 6.338 5.982 247 2HB GLN 26 1HB GLN 26 9.977 6.084 7.694 248 1HG GLN 26 2HG GLN 26 11.202 3.955 7.567 249 2HG GLN 26 1HG GLN 26 11.508 4.288 5.858 250 1HE2 GLN 26 1HE2 GLN 26 12.965 5.868 5.302 251 2HE2 GLN 26 2HE2 GLN 26 14.130 6.503 6.404 252 H VAL 27 H VAL 27 8.992 5.859 4.110 253 HA VAL 27 HA VAL 27 8.534 3.393 2.714 254 HB VAL 27 HB VAL 27 7.490 5.431 1.861 255 1HG1 VAL 27 1HG1 VAL 27 10.267 6.336 1.164 256 2HG1 VAL 27 2HG1 VAL 27 9.179 7.094 2.340 257 3HG1 VAL 27 3HG1 VAL 27 8.778 7.103 0.614 258 1HG2 VAL 27 1HG2 VAL 27 8.036 5.170 -0.510 259 2HG2 VAL 27 2HG2 VAL 27 7.834 3.632 0.329 260 3HG2 VAL 27 3HG2 VAL 27 9.451 4.218 -0.052 261 H ILE 28 H ILE 28 9.916 2.223 1.650 262 HA ILE 28 HA ILE 28 12.727 2.695 2.202 263 HB ILE 28 HB ILE 28 11.334 0.266 1.029 264 1HG1 ILE 28 2HG1 ILE 28 10.699 0.624 3.348 265 2HG1 ILE 28 1HG1 ILE 28 11.762 -0.771 3.231 266 1HG2 ILE 28 1HG2 ILE 28 13.423 -0.949 1.435 267 2HG2 ILE 28 2HG2 ILE 28 14.199 0.556 1.928 268 3HG2 ILE 28 3HG2 ILE 28 13.636 0.353 0.267 269 1HD1 ILE 28 1HD1 ILE 28 12.289 0.582 5.179 270 2HD1 ILE 28 2HD1 ILE 28 12.549 1.989 4.149 271 3HD1 ILE 28 3HD1 ILE 28 13.630 0.601 4.032 272 H HIS 29 H HIS 29 10.489 2.424 -0.535 273 HA HIS 29 HA HIS 29 12.309 3.748 -2.311 274 1HB HIS 29 2HB HIS 29 11.671 0.830 -2.757 275 2HB HIS 29 1HB HIS 29 12.109 1.895 -4.073 276 HD1 HIS 29 1HD HIS 29 13.494 -0.619 -2.020 277 HD2 HIS 29 2HD HIS 29 14.889 3.103 -3.255 278 HE1 HIS 29 1HE HIS 29 15.967 -0.695 -1.740 279 HE2 HIS 29 2HE HIS 29 16.703 1.641 -2.103 280 H LEU 30 H LEU 30 11.245 4.037 -4.399 281 HA LEU 30 HA LEU 30 8.370 3.770 -4.078 282 1HB LEU 30 2HB LEU 30 9.936 5.617 -5.912 283 2HB LEU 30 1HB LEU 30 8.201 5.394 -5.982 284 HG LEU 30 HG LEU 30 8.072 6.276 -3.630 285 1HD1 LEU 30 1HD1 LEU 30 10.362 5.955 -2.926 286 2HD1 LEU 30 2HD1 LEU 30 9.908 7.656 -2.806 287 3HD1 LEU 30 3HD1 LEU 30 10.918 7.103 -4.142 288 1HD2 LEU 30 1HD2 LEU 30 9.149 8.102 -5.762 289 2HD2 LEU 30 2HD2 LEU 30 8.265 8.613 -4.325 290 3HD2 LEU 30 3HD2 LEU 30 7.465 7.626 -5.548 291 H ALA 31 H ALA 31 7.413 2.419 -5.234 292 HA ALA 31 HA ALA 31 8.950 0.944 -7.246 293 1HB ALA 31 1HB ALA 31 7.414 -0.887 -6.984 294 2HB ALA 31 2HB ALA 31 6.416 0.052 -5.875 295 3HB ALA 31 3HB ALA 31 8.060 -0.420 -5.417 296 H LYS 32 H LYS 32 7.932 0.177 -9.078 297 HA LYS 32 HA LYS 32 5.978 2.058 -10.191 298 1HB LYS 32 2HB LYS 32 8.140 1.989 -11.346 299 2HB LYS 32 1HB LYS 32 8.032 0.244 -11.463 300 1HG LYS 32 2HG LYS 32 6.165 0.433 -12.996 301 2HG LYS 32 1HG LYS 32 6.181 2.194 -12.847 302 1HD LYS 32 2HD LYS 32 8.525 2.169 -13.697 303 2HD LYS 32 1HD LYS 32 8.380 0.433 -13.935 304 1HE LYS 32 2HE LYS 32 6.700 2.548 -15.283 305 2HE LYS 32 1HE LYS 32 8.059 1.705 -16.015 306 1HZ LYS 32 1HZ LYS 32 5.427 0.529 -15.237 307 2HZ LYS 32 2HZ LYS 32 6.738 -0.405 -15.664 308 3HZ LYS 32 3HZ LYS 32 6.096 0.688 -16.766 309 H ALA 33 H ALA 33 3.992 1.228 -10.420 310 HA ALA 33 HA ALA 33 3.387 -1.463 -9.976 311 1HB ALA 33 1HB ALA 33 1.198 -0.863 -10.914 312 2HB ALA 33 2HB ALA 33 1.855 0.664 -11.474 313 3HB ALA 33 3HB ALA 33 1.743 0.337 -9.747 314 H CYS 34 H CYS 34 4.126 -2.996 -11.222 315 HA CYS 34 HA CYS 34 4.843 -2.525 -13.979 316 1HB CYS 34 2HB CYS 34 6.315 -3.826 -12.461 317 2HB CYS 34 1HB CYS 34 5.044 -5.021 -12.261 318 HG CYS 34 HG CYS 34 7.136 -5.990 -13.932 319 H CYS 35 H CYS 35 2.198 -3.694 -12.177 320 HA CYS 35 HA CYS 35 0.866 -4.500 -14.628 321 1HB CYS 35 2HB CYS 35 1.840 -6.562 -13.657 322 2HB CYS 35 1HB CYS 35 1.004 -6.236 -12.148 323 HG CYS 35 HG CYS 35 -0.145 -7.442 -15.055 324 H ASP 36 H ASP 36 -1.287 -4.085 -14.566 325 HA ASP 36 HA ASP 36 -2.324 -2.542 -12.364 326 1HB ASP 36 2HB ASP 36 -3.077 -1.616 -14.157 327 2HB ASP 36 1HB ASP 36 -3.202 -3.062 -15.154 328 H VAL 37 H VAL 37 -2.833 -3.506 -10.763 329 HA VAL 37 HA VAL 37 -4.612 -5.833 -10.943 330 HB VAL 37 HB VAL 37 -2.388 -6.322 -9.873 331 1HG1 VAL 37 1HG1 VAL 37 -3.447 -4.538 -7.735 332 2HG1 VAL 37 2HG1 VAL 37 -2.061 -4.233 -8.776 333 3HG1 VAL 37 3HG1 VAL 37 -2.012 -5.557 -7.604 334 1HG2 VAL 37 1HG2 VAL 37 -4.786 -6.653 -8.103 335 2HG2 VAL 37 2HG2 VAL 37 -3.260 -7.530 -7.967 336 3HG2 VAL 37 3HG2 VAL 37 -4.275 -7.743 -9.400 337 H LYS 38 H LYS 38 -6.430 -5.841 -9.500 338 HA LYS 38 HA LYS 38 -6.698 -3.413 -7.965 339 1HB LYS 38 2HB LYS 38 -9.217 -3.518 -8.339 340 2HB LYS 38 1HB LYS 38 -8.257 -2.981 -9.704 341 1HG LYS 38 2HG LYS 38 -8.997 -5.825 -9.448 342 2HG LYS 38 1HG LYS 38 -10.227 -4.683 -10.021 343 1HD LYS 38 2HD LYS 38 -7.488 -5.136 -11.264 344 2HD LYS 38 1HD LYS 38 -9.005 -5.774 -11.902 345 1HE LYS 38 2HE LYS 38 -9.826 -3.464 -12.203 346 2HE LYS 38 1HE LYS 38 -8.293 -2.849 -11.597 347 1HZ LYS 38 1HZ LYS 38 -8.471 -2.865 -14.065 348 2HZ LYS 38 2HZ LYS 38 -8.549 -4.528 -14.056 349 3HZ LYS 38 3HZ LYS 38 -7.166 -3.747 -13.526 350 H GLY 39 H GLY 39 -5.636 -4.855 -6.513 351 1HA GLY 39 2HA GLY 39 -5.754 -5.926 -4.547 352 2HA GLY 39 1HA GLY 39 -7.499 -5.837 -4.600 353 H GLY 40 H GLY 40 -4.861 -7.504 -6.243 354 1HA GLY 40 2HA GLY 40 -6.513 -9.860 -6.661 355 2HA GLY 40 1HA GLY 40 -4.868 -9.620 -7.242 356 H LYS 41 H LYS 41 -6.789 -11.070 -4.969 357 HA LYS 41 HA LYS 41 -6.528 -12.197 -3.025 358 1HB LYS 41 2HB LYS 41 -3.694 -12.605 -4.031 359 2HB LYS 41 1HB LYS 41 -4.441 -13.507 -2.723 360 1HG LYS 41 2HG LYS 41 -6.093 -14.397 -4.297 361 2HG LYS 41 1HG LYS 41 -5.309 -13.505 -5.604 362 1HD LYS 41 2HD LYS 41 -3.238 -14.750 -5.204 363 2HD LYS 41 1HD LYS 41 -4.026 -15.642 -3.903 364 1HE LYS 41 2HE LYS 41 -5.654 -16.527 -5.511 365 2HE LYS 41 1HE LYS 41 -4.836 -15.652 -6.804 366 1HZ LYS 41 1HZ LYS 41 -4.142 -17.986 -6.717 367 2HZ LYS 41 2HZ LYS 41 -3.633 -17.788 -5.129 368 3HZ LYS 41 3HZ LYS 41 -2.844 -16.958 -6.372 369 H ASN 42 H ASN 42 -6.826 -10.066 -2.054 370 HA ASN 42 HA ASN 42 -6.382 -8.390 -0.619 371 1HB ASN 42 2HB ASN 42 -4.509 -10.481 0.536 372 2HB ASN 42 1HB ASN 42 -4.712 -8.907 1.281 373 1HD2 ASN 42 1HD2 ASN 42 -6.135 -12.028 0.730 374 2HD2 ASN 42 2HD2 ASN 42 -7.466 -11.818 1.789 375 H GLU 43 H GLU 43 -5.632 -6.938 -2.142 376 HA GLU 43 HA GLU 43 -2.791 -6.410 -1.965 377 1HB GLU 43 2HB GLU 43 -3.359 -8.122 -3.828 378 2HB GLU 43 1HB GLU 43 -4.103 -6.777 -4.634 379 1HG GLU 43 2HG GLU 43 -2.147 -5.769 -5.154 380 2HG GLU 43 1HG GLU 43 -1.299 -6.431 -3.752 381 H LEU 44 H LEU 44 -2.518 -4.480 -3.735 382 HA LEU 44 HA LEU 44 -4.403 -2.417 -2.849 383 1HB LEU 44 2HB LEU 44 -1.652 -2.540 -3.030 384 2HB LEU 44 1HB LEU 44 -2.083 -1.766 -4.531 385 HG LEU 44 HG LEU 44 -2.801 -0.723 -1.787 386 1HD1 LEU 44 1HD1 LEU 44 -0.792 0.151 -3.782 387 2HD1 LEU 44 2HD1 LEU 44 -0.497 -0.642 -2.209 388 3HD1 LEU 44 3HD1 LEU 44 -1.216 0.985 -2.274 389 1HD2 LEU 44 1HD2 LEU 44 -3.393 1.327 -2.891 390 2HD2 LEU 44 2HD2 LEU 44 -4.414 0.005 -3.467 391 3HD2 LEU 44 3HD2 LEU 44 -3.073 0.607 -4.466 392 H SER 45 H SER 45 -5.249 -0.992 -4.475 393 HA SER 45 HA SER 45 -5.340 -2.211 -7.069 394 1HB SER 45 2HB SER 45 -7.047 0.050 -6.008 395 2HB SER 45 1HB SER 45 -7.321 -0.862 -7.496 396 HG SER 45 HG SER 45 -7.402 -1.787 -4.839 397 H PHE 46 H PHE 46 -4.134 -1.489 -8.604 398 HA PHE 46 HA PHE 46 -3.553 1.271 -8.979 399 1HB PHE 46 2HB PHE 46 -1.038 0.798 -9.097 400 2HB PHE 46 1HB PHE 46 -1.730 0.904 -7.480 401 HD1 PHE 46 1HD PHE 46 -1.713 -0.988 -6.044 402 HD2 PHE 46 2HD PHE 46 -0.347 -1.336 -10.045 403 HE1 PHE 46 1HE PHE 46 -0.705 -3.152 -5.510 404 HE2 PHE 46 2HE PHE 46 0.670 -3.506 -9.518 405 HZ PHE 46 HZ PHE 46 0.475 -4.427 -7.251 406 H LYS 47 H LYS 47 -2.244 1.487 -10.978 407 HA LYS 47 HA LYS 47 -2.991 -0.643 -12.855 408 1HB LYS 47 2HB LYS 47 -2.818 2.339 -13.351 409 2HB LYS 47 1HB LYS 47 -3.220 1.116 -14.542 410 1HG LYS 47 2HG LYS 47 -5.302 0.646 -13.381 411 2HG LYS 47 1HG LYS 47 -4.879 1.812 -12.125 412 1HD LYS 47 2HD LYS 47 -5.228 2.466 -15.054 413 2HD LYS 47 1HD LYS 47 -6.436 2.761 -13.796 414 1HE LYS 47 2HE LYS 47 -4.936 4.274 -12.657 415 2HE LYS 47 1HE LYS 47 -3.643 3.896 -13.788 416 1HZ LYS 47 1HZ LYS 47 -4.952 4.893 -15.551 417 2HZ LYS 47 2HZ LYS 47 -4.626 5.980 -14.299 418 3HZ LYS 47 3HZ LYS 47 -6.179 5.295 -14.416 419 H GLN 48 H GLN 48 -1.450 -0.905 -14.503 420 HA GLN 48 HA GLN 48 1.239 -0.775 -13.889 421 1HB GLN 48 2HB GLN 48 0.095 -2.010 -15.794 422 2HB GLN 48 1HB GLN 48 0.076 -0.501 -16.677 423 1HG GLN 48 2HG GLN 48 2.563 -1.976 -15.803 424 2HG GLN 48 1HG GLN 48 1.837 -2.077 -17.398 425 1HE2 GLN 48 1HE2 GLN 48 1.893 -0.205 -18.719 426 2HE2 GLN 48 2HE2 GLN 48 3.108 0.999 -18.493 427 H GLY 49 H GLY 49 2.477 0.923 -13.441 428 1HA GLY 49 2HA GLY 49 3.686 2.884 -13.959 429 2HA GLY 49 1HA GLY 49 2.446 3.309 -15.122 430 H GLU 50 H GLU 50 1.314 2.478 -11.994 431 HA GLU 50 HA GLU 50 0.352 5.177 -11.636 432 1HB GLU 50 2HB GLU 50 -0.051 2.671 -10.120 433 2HB GLU 50 1HB GLU 50 -0.575 4.196 -9.442 434 1HG GLU 50 2HG GLU 50 -1.427 2.950 -12.044 435 2HG GLU 50 1HG GLU 50 -2.394 3.098 -10.580 436 H GLN 51 H GLN 51 2.937 3.485 -10.445 437 HA GLN 51 HA GLN 51 4.724 3.989 -9.097 438 1HB GLN 51 2HB GLN 51 4.723 6.242 -10.101 439 2HB GLN 51 1HB GLN 51 3.525 6.778 -8.937 440 1HG GLN 51 2HG GLN 51 5.155 6.412 -7.128 441 2HG GLN 51 1HG GLN 51 6.354 5.942 -8.334 442 1HE2 GLN 51 1HE2 GLN 51 4.538 8.538 -6.980 443 2HE2 GLN 51 2HE2 GLN 51 5.414 9.841 -7.696 444 H ILE 52 H ILE 52 4.828 3.009 -7.313 445 HA ILE 52 HA ILE 52 2.785 3.384 -5.215 446 HB ILE 52 HB ILE 52 4.376 0.866 -5.795 447 1HG1 ILE 52 2HG1 ILE 52 1.684 1.691 -6.935 448 2HG1 ILE 52 1HG1 ILE 52 3.169 1.336 -7.787 449 1HG2 ILE 52 1HG2 ILE 52 3.366 1.002 -3.564 450 2HG2 ILE 52 2HG2 ILE 52 2.591 -0.250 -4.534 451 3HG2 ILE 52 3HG2 ILE 52 1.787 1.301 -4.293 452 1HD1 ILE 52 1HD1 ILE 52 1.600 -0.652 -6.204 453 2HD1 ILE 52 2HD1 ILE 52 3.062 -0.959 -7.146 454 3HD1 ILE 52 3HD1 ILE 52 1.574 -0.466 -7.957 455 H GLU 53 H GLU 53 3.773 2.900 -3.016 456 HA GLU 53 HA GLU 53 6.698 3.431 -2.934 457 1HB GLU 53 2HB GLU 53 5.007 3.730 -0.519 458 2HB GLU 53 1HB GLU 53 6.441 4.510 -1.074 459 1HG GLU 53 2HG GLU 53 5.450 6.052 -2.401 460 2HG GLU 53 1HG GLU 53 3.966 5.120 -2.589 461 H ILE 54 H ILE 54 7.894 1.865 -1.899 462 HA ILE 54 HA ILE 54 6.369 -0.349 -0.751 463 HB ILE 54 HB ILE 54 8.007 -1.113 -2.447 464 1HG1 ILE 54 2HG1 ILE 54 9.364 -2.701 -1.061 465 2HG1 ILE 54 1HG1 ILE 54 8.784 -1.855 0.364 466 1HG2 ILE 54 1HG2 ILE 54 9.613 0.662 -2.343 467 2HG2 ILE 54 2HG2 ILE 54 10.390 -0.910 -2.160 468 3HG2 ILE 54 3HG2 ILE 54 10.133 0.119 -0.750 469 1HD1 ILE 54 1HD1 ILE 54 7.554 -3.854 -0.026 470 2HD1 ILE 54 2HD1 ILE 54 7.098 -3.294 -1.635 471 3HD1 ILE 54 3HD1 ILE 54 6.516 -2.439 -0.196 472 H ILE 55 H ILE 55 6.153 -0.439 1.313 473 HA ILE 55 HA ILE 55 8.042 1.075 2.924 474 HB ILE 55 HB ILE 55 6.272 0.831 4.807 475 1HG1 ILE 55 2HG1 ILE 55 4.825 -0.697 3.273 476 2HG1 ILE 55 1HG1 ILE 55 3.975 0.485 4.248 477 1HG2 ILE 55 1HG2 ILE 55 5.190 2.924 4.133 478 2HG2 ILE 55 2HG2 ILE 55 5.889 2.739 2.526 479 3HG2 ILE 55 3HG2 ILE 55 6.943 2.939 3.924 480 1HD1 ILE 55 1HD1 ILE 55 4.669 0.684 1.325 481 2HD1 ILE 55 2HD1 ILE 55 3.868 1.945 2.252 482 3HD1 ILE 55 3HD1 ILE 55 3.068 0.389 2.009 483 H ARG 56 H ARG 56 6.331 -2.085 3.082 484 HA ARG 56 HA ARG 56 8.594 -2.854 4.776 485 1HB ARG 56 2HB ARG 56 6.371 -2.695 6.042 486 2HB ARG 56 1HB ARG 56 5.811 -3.974 4.998 487 1HG ARG 56 2HG ARG 56 6.434 -5.220 6.794 488 2HG ARG 56 1HG ARG 56 7.922 -5.242 5.877 489 1HD ARG 56 2HD ARG 56 7.361 -3.326 8.145 490 2HD ARG 56 1HD ARG 56 8.157 -4.864 8.335 491 HE ARG 56 HE ARG 56 9.625 -3.456 6.439 492 1HH1 ARG 56 1HH1 ARG 56 8.710 -2.954 9.841 493 2HH1 ARG 56 2HH1 ARG 56 10.169 -2.229 10.276 494 1HH2 ARG 56 1HH2 ARG 56 11.687 -2.514 7.061 495 2HH2 ARG 56 2HH2 ARG 56 11.899 -1.972 8.666 496 H ILE 57 H ILE 57 9.768 -4.326 3.891 497 HA ILE 57 HA ILE 57 8.542 -6.246 2.034 498 HB ILE 57 HB ILE 57 10.960 -6.745 1.312 499 1HG1 ILE 57 2HG1 ILE 57 11.993 -5.265 3.130 500 2HG1 ILE 57 1HG1 ILE 57 12.663 -5.111 1.510 501 1HG2 ILE 57 1HG2 ILE 57 10.937 -4.999 -0.403 502 2HG2 ILE 57 2HG2 ILE 57 9.652 -4.184 0.489 503 3HG2 ILE 57 3HG2 ILE 57 9.378 -5.793 -0.181 504 1HD1 ILE 57 1HD1 ILE 57 10.679 -3.268 2.798 505 2HD1 ILE 57 2HD1 ILE 57 11.301 -3.097 1.169 506 3HD1 ILE 57 3HD1 ILE 57 12.397 -2.922 2.561 507 H THR 58 H THR 58 10.204 -5.862 4.988 508 HA THR 58 HA THR 58 11.050 -8.591 5.108 509 HB THR 58 HB THR 58 11.910 -7.739 7.355 510 HG1 THR 58 1HG THR 58 10.966 -5.870 7.780 511 1HG2 THR 58 1HG2 THR 58 13.304 -8.027 5.362 512 2HG2 THR 58 2HG2 THR 58 13.784 -6.569 6.247 513 3HG2 THR 58 3HG2 THR 58 12.804 -6.443 4.783 514 H ASP 59 H ASP 59 10.390 -10.007 6.734 515 HA ASP 59 HA ASP 59 8.914 -11.175 7.955 516 1HB ASP 59 2HB ASP 59 9.331 -9.164 9.555 517 2HB ASP 59 1HB ASP 59 7.773 -8.560 9.015 518 H ASN 60 H ASN 60 8.228 -11.154 5.542 519 HA ASN 60 HA ASN 60 5.523 -10.131 5.275 520 1HB ASN 60 2HB ASN 60 5.740 -10.551 2.843 521 2HB ASN 60 1HB ASN 60 7.021 -9.526 3.450 522 1HD2 ASN 60 1HD2 ASN 60 7.089 -10.849 1.027 523 2HD2 ASN 60 2HD2 ASN 60 8.344 -12.016 1.018 524 HA PRO 61 HA PRO 61 4.007 -14.097 6.599 525 1HB PRO 61 2HB PRO 61 1.423 -12.812 5.914 526 2HB PRO 61 1HB PRO 61 1.951 -13.547 7.433 527 1HG PRO 61 2HG PRO 61 1.779 -10.915 7.228 528 2HG PRO 61 1HG PRO 61 3.150 -11.657 8.077 529 1HD PRO 61 2HD PRO 61 3.028 -10.551 5.291 530 2HD PRO 61 1HD PRO 61 4.270 -10.312 6.543 531 H GLU 62 H GLU 62 2.118 -12.670 3.899 532 HA GLU 62 HA GLU 62 1.631 -15.295 2.811 533 1HB GLU 62 2HB GLU 62 0.807 -12.537 2.016 534 2HB GLU 62 1HB GLU 62 0.690 -13.837 0.847 535 1HG GLU 62 2HG GLU 62 -1.407 -13.412 1.972 536 2HG GLU 62 1HG GLU 62 -0.824 -15.039 2.272 537 H GLY 63 H GLY 63 3.992 -12.943 2.462 538 1HA GLY 63 2HA GLY 63 6.067 -13.509 1.394 539 2HA GLY 63 1HA GLY 63 5.159 -14.495 0.252 540 H LYS 64 H LYS 64 3.520 -11.695 0.813 541 HA LYS 64 HA LYS 64 4.656 -10.538 -1.595 542 1HB LYS 64 2HB LYS 64 2.473 -9.462 -1.930 543 2HB LYS 64 1HB LYS 64 2.313 -11.211 -1.887 544 1HG LYS 64 2HG LYS 64 1.771 -10.382 0.705 545 2HG LYS 64 1HG LYS 64 1.062 -9.122 -0.306 546 1HD LYS 64 2HD LYS 64 0.492 -12.095 -0.446 547 2HD LYS 64 1HD LYS 64 -0.615 -10.833 0.069 548 1HE LYS 64 2HE LYS 64 0.514 -10.989 -2.737 549 2HE LYS 64 1HE LYS 64 -0.953 -11.822 -2.234 550 1HZ LYS 64 1HZ LYS 64 -0.659 -8.864 -1.966 551 2HZ LYS 64 2HZ LYS 64 -2.082 -9.752 -1.975 552 3HZ LYS 64 3HZ LYS 64 -1.185 -9.565 -3.380 553 H TRP 65 H TRP 65 4.535 -8.095 -1.615 554 HA TRP 65 HA TRP 65 5.911 -7.145 0.832 555 1HB TRP 65 2HB TRP 65 5.739 -6.139 -1.991 556 2HB TRP 65 1HB TRP 65 6.502 -5.218 -0.724 557 HD1 TRP 65 HD TRP 65 7.857 -8.127 0.448 558 HE1 TRP 65 1HE TRP 65 9.996 -8.918 -0.768 559 HE3 TRP 65 3HE TRP 65 7.398 -5.440 -3.924 560 HZ2 TRP 65 2HZ TRP 65 11.281 -8.486 -3.224 561 HZ3 TRP 65 3HZ TRP 65 9.124 -5.702 -5.627 562 HH2 TRP 65 HH TRP 65 11.023 -7.186 -5.289 563 H LEU 66 H LEU 66 5.560 -4.723 1.231 564 HA LEU 66 HA LEU 66 2.658 -4.294 1.156 565 1HB LEU 66 2HB LEU 66 3.556 -4.579 3.422 566 2HB LEU 66 1HB LEU 66 4.680 -3.264 3.146 567 HG LEU 66 HG LEU 66 2.785 -1.704 2.931 568 1HD1 LEU 66 1HD1 LEU 66 1.116 -3.255 2.136 569 2HD1 LEU 66 2HD1 LEU 66 0.566 -2.406 3.580 570 3HD1 LEU 66 3HD1 LEU 66 1.117 -4.083 3.700 571 1HD2 LEU 66 1HD2 LEU 66 2.783 -3.336 5.453 572 2HD2 LEU 66 2HD2 LEU 66 2.138 -1.707 5.278 573 3HD2 LEU 66 3HD2 LEU 66 3.870 -1.998 5.078 574 H GLY 67 H GLY 67 2.165 -2.917 -0.382 575 1HA GLY 67 2HA GLY 67 3.964 -0.652 -0.795 576 2HA GLY 67 1HA GLY 67 2.995 -1.386 -2.079 577 H ARG 68 H ARG 68 2.969 1.339 -1.286 578 HA ARG 68 HA ARG 68 0.130 1.556 -0.551 579 1HB ARG 68 2HB ARG 68 1.310 2.072 1.425 580 2HB ARG 68 1HB ARG 68 2.406 3.201 0.620 581 1HG ARG 68 2HG ARG 68 0.321 4.595 0.185 582 2HG ARG 68 1HG ARG 68 -0.537 3.497 1.269 583 1HD ARG 68 2HD ARG 68 0.201 5.464 2.471 584 2HD ARG 68 1HD ARG 68 1.051 4.036 3.055 585 HE ARG 68 HE ARG 68 2.437 5.490 0.992 586 1HH1 ARG 68 1HH1 ARG 68 1.883 5.385 4.501 587 2HH1 ARG 68 2HH1 ARG 68 3.386 6.075 4.902 588 1HH2 ARG 68 1HH2 ARG 68 4.453 6.430 1.512 589 2HH2 ARG 68 2HH2 ARG 68 4.944 6.648 3.132 590 H THR 69 H THR 69 -0.931 3.149 -1.405 591 HA THR 69 HA THR 69 0.319 4.511 -3.709 592 HB THR 69 HB THR 69 -1.656 2.960 -4.152 593 HG1 THR 69 1HG THR 69 -1.122 5.118 -5.325 594 1HG2 THR 69 1HG2 THR 69 -3.201 5.075 -2.645 595 2HG2 THR 69 2HG2 THR 69 -2.945 3.409 -2.130 596 3HG2 THR 69 3HG2 THR 69 -3.912 3.749 -3.566 597 H ALA 70 H ALA 70 -0.540 6.748 -4.103 598 HA ALA 70 HA ALA 70 0.162 8.455 -2.067 599 1HB ALA 70 1HB ALA 70 -1.670 9.150 -4.353 600 2HB ALA 70 2HB ALA 70 0.090 9.046 -4.444 601 3HB ALA 70 3HB ALA 70 -0.671 10.267 -3.422 602 H ARG 71 H ARG 71 -3.024 7.201 -2.629 603 HA ARG 71 HA ARG 71 -4.349 9.040 -0.855 604 1HB ARG 71 2HB ARG 71 -5.637 8.103 -2.637 605 2HB ARG 71 1HB ARG 71 -5.179 6.478 -2.216 606 1HG ARG 71 2HG ARG 71 -6.973 8.137 -0.443 607 2HG ARG 71 1HG ARG 71 -7.596 7.216 -1.811 608 1HD ARG 71 2HD ARG 71 -6.404 5.204 -0.765 609 2HD ARG 71 1HD ARG 71 -6.246 6.202 0.676 610 HE ARG 71 HE ARG 71 -8.920 6.076 -0.299 611 1HH1 ARG 71 1HH1 ARG 71 -6.587 4.601 1.922 612 2HH1 ARG 71 2HH1 ARG 71 -7.662 3.510 2.609 613 1HH2 ARG 71 1HH2 ARG 71 -10.412 4.417 0.502 614 2HH2 ARG 71 2HH2 ARG 71 -9.911 3.383 1.742 615 H GLY 72 H GLY 72 -2.487 6.264 -0.408 616 1HA GLY 72 2HA GLY 72 -1.806 5.323 1.559 617 2HA GLY 72 1HA GLY 72 -3.023 6.229 2.436 618 H SER 73 H SER 73 -2.269 3.326 0.744 619 HA SER 73 HA SER 73 -4.452 1.940 1.687 620 1HB SER 73 2HB SER 73 -3.819 2.176 -1.249 621 2HB SER 73 1HB SER 73 -4.954 1.049 -0.570 622 HG SER 73 HG SER 73 -6.375 2.612 -0.165 623 H TYR 74 H TYR 74 -3.464 0.237 2.078 624 HA TYR 74 HA TYR 74 -0.675 -0.063 1.247 625 1HB TYR 74 2HB TYR 74 -2.204 -0.519 3.604 626 2HB TYR 74 1HB TYR 74 -0.706 -1.489 3.467 627 HD1 TYR 74 1HD TYR 74 1.363 -0.343 4.078 628 HD2 TYR 74 2HD TYR 74 -2.259 1.862 3.835 629 HE1 TYR 74 1HE TYR 74 2.450 1.539 5.210 630 HE2 TYR 74 2HE TYR 74 -1.187 3.752 4.966 631 HH TYR 74 HH TYR 74 2.247 3.763 5.742 632 H GLY 75 H GLY 75 -1.370 -1.218 -0.536 633 1HA GLY 75 2HA GLY 75 -2.806 -3.626 0.085 634 2HA GLY 75 1HA GLY 75 -2.586 -2.919 -1.520 635 H TYR 76 H TYR 76 -1.324 -4.623 0.943 636 HA TYR 76 HA TYR 76 1.225 -5.239 0.305 637 1HB TYR 76 2HB TYR 76 0.035 -7.763 0.909 638 2HB TYR 76 1HB TYR 76 0.890 -6.682 2.012 639 HD1 TYR 76 1HD TYR 76 -0.335 -5.246 3.548 640 HD2 TYR 76 2HD TYR 76 -2.395 -7.695 0.754 641 HE1 TYR 76 1HE TYR 76 -2.444 -4.751 4.665 642 HE2 TYR 76 2HE TYR 76 -4.518 -7.203 1.873 643 HH TYR 76 HH TYR 76 -4.946 -4.711 3.826 644 H ILE 77 H ILE 77 1.772 -5.162 -1.678 645 HA ILE 77 HA ILE 77 0.591 -6.209 -3.942 646 HB ILE 77 HB ILE 77 2.941 -5.900 -4.751 647 1HG1 ILE 77 2HG1 ILE 77 3.096 -4.406 -2.136 648 2HG1 ILE 77 1HG1 ILE 77 4.083 -5.763 -2.661 649 1HG2 ILE 77 1HG2 ILE 77 1.040 -4.431 -5.266 650 2HG2 ILE 77 2HG2 ILE 77 2.490 -3.447 -4.967 651 3HG2 ILE 77 3HG2 ILE 77 1.249 -3.612 -3.707 652 1HD1 ILE 77 1HD1 ILE 77 4.048 -3.021 -3.851 653 2HD1 ILE 77 2HD1 ILE 77 5.020 -4.390 -4.404 654 3HD1 ILE 77 3HD1 ILE 77 5.302 -3.701 -2.795 655 H LYS 78 H LYS 78 0.900 -8.035 -4.910 656 HA LYS 78 HA LYS 78 2.831 -9.791 -3.909 657 1HB LYS 78 2HB LYS 78 2.263 -11.208 -5.807 658 2HB LYS 78 1HB LYS 78 0.781 -10.614 -5.073 659 1HG LYS 78 2HG LYS 78 0.674 -8.885 -6.797 660 2HG LYS 78 1HG LYS 78 2.173 -9.612 -7.430 661 1HD LYS 78 2HD LYS 78 0.130 -10.379 -8.688 662 2HD LYS 78 1HD LYS 78 0.958 -11.708 -7.871 663 1HE LYS 78 2HE LYS 78 -0.652 -11.645 -6.061 664 2HE LYS 78 1HE LYS 78 -1.431 -10.227 -6.764 665 1HZ LYS 78 1HZ LYS 78 -2.609 -12.354 -7.259 666 2HZ LYS 78 2HZ LYS 78 -1.273 -12.865 -8.146 667 3HZ LYS 78 3HZ LYS 78 -2.130 -11.495 -8.606 668 H THR 79 H THR 79 4.504 -9.324 -4.180 669 HA THR 79 HA THR 79 6.321 -7.638 -5.063 670 HB THR 79 HB THR 79 8.023 -9.399 -5.137 671 HG1 THR 79 1HG THR 79 7.431 -11.510 -5.333 672 1HG2 THR 79 1HG2 THR 79 7.069 -8.805 -2.944 673 2HG2 THR 79 2HG2 THR 79 7.512 -10.512 -3.015 674 3HG2 THR 79 3HG2 THR 79 5.820 -10.031 -3.165 675 H THR 80 H THR 80 5.111 -10.211 -7.093 676 HA THR 80 HA THR 80 6.656 -9.639 -9.387 677 HB THR 80 HB THR 80 5.785 -11.864 -8.928 678 HG1 THR 80 1HG THR 80 5.151 -10.584 -11.326 679 1HG2 THR 80 1HG2 THR 80 3.693 -11.259 -7.864 680 2HG2 THR 80 2HG2 THR 80 3.364 -12.375 -9.186 681 3HG2 THR 80 3HG2 THR 80 3.058 -10.645 -9.377 682 H ALA 81 H ALA 81 4.020 -7.821 -8.111 683 HA ALA 81 HA ALA 81 3.103 -7.066 -10.761 684 1HB ALA 81 1HB ALA 81 1.997 -6.379 -8.040 685 2HB ALA 81 2HB ALA 81 1.393 -7.644 -9.112 686 3HB ALA 81 3HB ALA 81 1.276 -5.949 -9.592 687 H VAL 82 H VAL 82 5.497 -6.168 -8.662 688 HA VAL 82 HA VAL 82 5.423 -3.452 -9.759 689 HB VAL 82 HB VAL 82 6.402 -2.531 -7.675 690 1HG1 VAL 82 1HG1 VAL 82 4.319 -2.379 -6.416 691 2HG1 VAL 82 2HG1 VAL 82 3.633 -3.691 -7.374 692 3HG1 VAL 82 3HG1 VAL 82 4.074 -2.161 -8.138 693 1HG2 VAL 82 1HG2 VAL 82 6.114 -3.767 -5.575 694 2HG2 VAL 82 2HG2 VAL 82 7.227 -4.586 -6.675 695 3HG2 VAL 82 3HG2 VAL 82 5.571 -5.172 -6.486 696 H GLU 83 H GLU 83 7.318 -2.395 -9.846 697 HA GLU 83 HA GLU 83 9.775 -3.960 -9.532 698 1HB GLU 83 2HB GLU 83 9.092 -1.862 -11.583 699 2HB GLU 83 1HB GLU 83 10.695 -2.569 -11.394 700 1HG GLU 83 2HG GLU 83 9.703 -4.771 -11.942 701 2HG GLU 83 1HG GLU 83 8.176 -3.958 -12.265 702 H ILE 84 H ILE 84 10.466 -3.129 -7.636 703 HA ILE 84 HA ILE 84 9.928 -0.424 -6.892 704 HB ILE 84 HB ILE 84 11.297 -0.788 -4.906 705 1HG1 ILE 84 2HG1 ILE 84 12.191 -3.328 -4.720 706 2HG1 ILE 84 1HG1 ILE 84 12.348 -3.067 -6.460 707 1HG2 ILE 84 1HG2 ILE 84 9.065 -1.668 -4.837 708 2HG2 ILE 84 2HG2 ILE 84 10.151 -2.704 -3.914 709 3HG2 ILE 84 3HG2 ILE 84 9.616 -3.200 -5.519 710 1HD1 ILE 84 1HD1 ILE 84 14.430 -2.610 -5.281 711 2HD1 ILE 84 2HD1 ILE 84 13.603 -1.364 -4.333 712 3HD1 ILE 84 3HD1 ILE 84 13.784 -1.169 -6.077 713 H ASP 85 H ASP 85 11.375 1.354 -6.754 714 HA ASP 85 HA ASP 85 13.212 1.466 -8.883 715 1HB ASP 85 2HB ASP 85 12.639 3.348 -6.649 716 2HB ASP 85 1HB ASP 85 14.113 3.568 -7.574 717 H TYR 86 H TYR 86 14.764 0.266 -8.971 718 HA TYR 86 HA TYR 86 16.385 -0.611 -6.794 719 1HB TYR 86 2HB TYR 86 17.117 -0.621 -9.739 720 2HB TYR 86 1HB TYR 86 17.711 -1.705 -8.482 721 HD1 TYR 86 1HD TYR 86 15.234 -1.191 -11.004 722 HD2 TYR 86 2HD TYR 86 16.022 -3.304 -7.397 723 HE1 TYR 86 1HE TYR 86 13.392 -2.734 -11.515 724 HE2 TYR 86 2HE TYR 86 14.185 -4.856 -7.901 725 HH TYR 86 HH TYR 86 12.629 -4.918 -10.972 726 H ASP 87 H ASP 87 17.744 0.657 -5.799 727 HA ASP 87 HA ASP 87 18.260 3.287 -6.551 728 1HB ASP 87 2HB ASP 87 18.391 2.655 -4.244 729 2HB ASP 87 1HB ASP 87 19.758 1.589 -4.570 730 H SER 88 H SER 88 19.220 3.803 -8.342 731 HA SER 88 HA SER 88 22.002 3.023 -8.603 732 1HB SER 88 2HB SER 88 19.988 3.007 -10.860 733 2HB SER 88 1HB SER 88 21.729 2.747 -11.038 734 HG SER 88 HG SER 88 20.729 1.181 -9.111 735 H LEU 89 H LEU 89 22.781 4.911 -7.968 736 HA LEU 89 HA LEU 89 22.177 7.255 -9.623 737 1HB LEU 89 2HB LEU 89 21.410 7.559 -7.301 738 2HB LEU 89 1HB LEU 89 23.006 7.151 -6.712 739 HG LEU 89 HG LEU 89 23.907 9.189 -7.782 740 1HD1 LEU 89 1HD1 LEU 89 22.373 10.900 -8.613 741 2HD1 LEU 89 2HD1 LEU 89 21.023 9.784 -8.417 742 3HD1 LEU 89 3HD1 LEU 89 22.299 9.428 -9.585 743 1HD2 LEU 89 1HD2 LEU 89 22.913 10.785 -6.216 744 2HD2 LEU 89 2HD2 LEU 89 23.231 9.234 -5.440 745 3HD2 LEU 89 3HD2 LEU 89 21.586 9.663 -5.916 746 H LYS 90 H LYS 90 23.765 7.410 -10.994 747 HA LYS 90 HA LYS 90 25.729 7.510 -11.960 748 1HB LYS 90 2HB LYS 90 26.794 8.097 -9.195 749 2HB LYS 90 1HB LYS 90 27.750 8.221 -10.665 750 1HG LYS 90 2HG LYS 90 26.237 9.934 -11.515 751 2HG LYS 90 1HG LYS 90 25.258 9.796 -10.057 752 1HD LYS 90 2HD LYS 90 26.728 11.724 -9.905 753 2HD LYS 90 1HD LYS 90 27.189 10.512 -8.712 754 1HE LYS 90 2HE LYS 90 29.013 9.772 -10.147 755 2HE LYS 90 1HE LYS 90 28.526 10.925 -11.388 756 1HZ LYS 90 1HZ LYS 90 28.947 12.712 -9.792 757 2HZ LYS 90 2HZ LYS 90 30.334 11.850 -10.160 758 3HZ LYS 90 3HZ LYS 90 29.567 11.608 -8.668 759 H LEU 91 H LEU 91 25.233 5.318 -12.352 760 HA LEU 91 HA LEU 91 27.552 3.658 -11.680 761 1HB LEU 91 2HB LEU 91 24.688 2.770 -12.205 762 2HB LEU 91 1HB LEU 91 26.045 1.682 -12.313 763 HG LEU 91 HG LEU 91 24.935 1.257 -10.276 764 1HD1 LEU 91 1HD1 LEU 91 27.301 1.105 -10.104 765 2HD1 LEU 91 2HD1 LEU 91 26.622 1.691 -8.584 766 3HD1 LEU 91 3HD1 LEU 91 27.417 2.814 -9.686 767 1HD2 LEU 91 1HD2 LEU 91 25.173 4.182 -9.617 768 2HD2 LEU 91 2HD2 LEU 91 24.572 2.933 -8.529 769 3HD2 LEU 91 3HD2 LEU 91 23.691 3.314 -10.008 770 H LYS 92 H LYS 92 27.895 2.097 -13.611 771 HA LYS 92 HA LYS 92 27.672 3.776 -15.977 772 1HB LYS 92 2HB LYS 92 29.274 1.255 -15.500 773 2HB LYS 92 1HB LYS 92 29.297 2.193 -16.980 774 1HG LYS 92 2HG LYS 92 30.226 3.187 -14.276 775 2HG LYS 92 1HG LYS 92 31.277 2.579 -15.543 776 1HD LYS 92 2HD LYS 92 31.416 4.937 -15.704 777 2HD LYS 92 1HD LYS 92 30.338 4.458 -17.010 778 1HE LYS 92 2HE LYS 92 28.405 5.050 -15.593 779 2HE LYS 92 1HE LYS 92 29.515 5.547 -14.318 780 1HZ LYS 92 1HZ LYS 92 29.306 6.783 -17.013 781 2HZ LYS 92 2HZ LYS 92 30.392 7.227 -15.797 782 3HZ LYS 92 3HZ LYS 92 28.732 7.429 -15.548 783 H LYS 93 H LYS 93 27.323 0.341 -15.229 784 HA LYS 93 HA LYS 93 24.784 0.323 -16.651 785 1HB LYS 93 2HB LYS 93 26.960 -1.790 -16.961 786 2HB LYS 93 1HB LYS 93 25.305 -2.004 -17.474 787 1HG LYS 93 2HG LYS 93 26.516 -1.581 -19.429 788 2HG LYS 93 1HG LYS 93 25.714 -0.057 -19.070 789 1HD LYS 93 2HD LYS 93 27.759 0.848 -18.169 790 2HD LYS 93 1HD LYS 93 28.564 -0.711 -18.335 791 1HE LYS 93 2HE LYS 93 27.510 0.990 -20.595 792 2HE LYS 93 1HE LYS 93 29.202 0.833 -20.127 793 1HZ LYS 93 1HZ LYS 93 28.813 -0.603 -21.965 794 2HZ LYS 93 2HZ LYS 93 27.444 -1.272 -21.269 795 3HZ LYS 93 3HZ LYS 93 28.960 -1.616 -20.614 796 H ASP 94 H ASP 94 23.411 -1.323 -15.827 797 HA ASP 94 HA ASP 94 24.441 -2.759 -13.537 798 1HB ASP 94 2HB ASP 94 23.245 -0.874 -12.499 799 2HB ASP 94 1HB ASP 94 21.793 -1.281 -13.416 800 H LEU 95 H LEU 95 24.596 -4.250 -15.122 801 HA LEU 95 HA LEU 95 22.063 -5.611 -15.688 802 1HB LEU 95 2HB LEU 95 23.508 -4.954 -17.636 803 2HB LEU 95 1HB LEU 95 24.769 -5.983 -16.995 804 HG LEU 95 HG LEU 95 23.336 -7.949 -17.326 805 1HD1 LEU 95 1HD1 LEU 95 21.161 -6.878 -17.068 806 2HD1 LEU 95 2HD1 LEU 95 21.258 -7.744 -18.602 807 3HD1 LEU 95 3HD1 LEU 95 21.411 -5.987 -18.572 808 1HD2 LEU 95 1HD2 LEU 95 23.648 -6.213 -19.771 809 2HD2 LEU 95 2HD2 LEU 95 23.414 -7.962 -19.769 810 3HD2 LEU 95 3HD2 LEU 95 24.882 -7.267 -19.080 811 H GLU 96 H GLU 96 25.267 -5.768 -14.312 812 HA GLU 96 HA GLU 96 24.391 -7.888 -12.597 813 1HB GLU 96 2HB GLU 96 25.626 -8.937 -14.591 814 2HB GLU 96 1HB GLU 96 27.052 -8.080 -14.028 815 1HG GLU 96 2HG GLU 96 27.117 -10.350 -13.236 816 2HG GLU 96 1HG GLU 96 26.876 -9.262 -11.866 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 -13.248 4.661 -2.509 2 2H GLU 1 2HT GLU 1 -14.409 3.425 -2.294 3 3H GLU 1 3HT GLU 1 -12.788 3.126 -1.933 4 HA GLU 1 HA GLU 1 -14.089 3.439 0.034 5 1HB GLU 1 2HB GLU 1 -12.667 4.991 1.164 6 2HB GLU 1 1HB GLU 1 -11.682 4.229 -0.065 7 1HG GLU 1 2HG GLU 1 -12.935 6.966 -0.327 8 2HG GLU 1 1HG GLU 1 -11.286 6.668 0.201 9 H LYS 2 H LYS 2 -14.952 5.488 -2.536 10 HA LYS 2 HA LYS 2 -16.225 7.426 -0.860 11 1HB LYS 2 2HB LYS 2 -16.185 7.106 -3.868 12 2HB LYS 2 1HB LYS 2 -17.037 8.391 -3.026 13 1HG LYS 2 2HG LYS 2 -14.056 7.920 -3.000 14 2HG LYS 2 1HG LYS 2 -14.907 9.188 -3.885 15 1HD LYS 2 2HD LYS 2 -15.717 10.112 -1.758 16 2HD LYS 2 1HD LYS 2 -14.857 8.848 -0.887 17 1HE LYS 2 2HE LYS 2 -13.560 10.865 -0.804 18 2HE LYS 2 1HE LYS 2 -12.733 9.706 -1.838 19 1HZ LYS 2 1HZ LYS 2 -14.461 11.902 -2.854 20 2HZ LYS 2 2HZ LYS 2 -13.405 10.932 -3.781 21 3HZ LYS 2 3HZ LYS 2 -12.803 12.027 -2.652 22 H LYS 3 H LYS 3 -17.591 6.260 0.279 23 HA LYS 3 HA LYS 3 -20.078 5.559 -1.084 24 1HB LYS 3 2HB LYS 3 -18.575 3.968 0.991 25 2HB LYS 3 1HB LYS 3 -20.311 3.793 0.794 26 1HG LYS 3 2HG LYS 3 -18.442 3.429 -1.532 27 2HG LYS 3 1HG LYS 3 -18.744 2.121 -0.389 28 1HD LYS 3 2HD LYS 3 -20.222 1.849 -2.280 29 2HD LYS 3 1HD LYS 3 -21.177 2.312 -0.884 30 1HE LYS 3 2HE LYS 3 -22.026 3.503 -2.774 31 2HE LYS 3 1HE LYS 3 -21.162 4.662 -1.771 32 1HZ LYS 3 1HZ LYS 3 -20.094 3.379 -4.235 33 2HZ LYS 3 2HZ LYS 3 -19.291 4.563 -3.307 34 3HZ LYS 3 3HZ LYS 3 -20.683 4.943 -4.128 35 H GLU 4 H GLU 4 -19.113 7.915 0.103 36 HA GLU 4 HA GLU 4 -19.811 9.634 1.268 37 1HB GLU 4 2HB GLU 4 -22.155 7.893 1.971 38 2HB GLU 4 1HB GLU 4 -22.032 9.601 2.379 39 1HG GLU 4 2HG GLU 4 -21.899 10.177 0.035 40 2HG GLU 4 1HG GLU 4 -21.953 8.470 -0.405 41 H GLN 5 H GLN 5 -19.432 10.599 3.069 42 HA GLN 5 HA GLN 5 -18.885 11.072 5.148 43 1HB GLN 5 2HB GLN 5 -19.742 8.259 5.807 44 2HB GLN 5 1HB GLN 5 -19.105 9.367 7.014 45 1HG GLN 5 2HG GLN 5 -20.912 10.917 6.583 46 2HG GLN 5 1HG GLN 5 -21.522 9.873 5.305 47 1HE2 GLN 5 1HE2 GLN 5 -20.273 8.482 8.283 48 2HE2 GLN 5 2HE2 GLN 5 -21.830 8.069 8.900 49 H LYS 6 H LYS 6 -17.630 7.961 4.142 50 HA LYS 6 HA LYS 6 -15.586 7.050 4.125 51 1HB LYS 6 2HB LYS 6 -14.681 9.913 4.463 52 2HB LYS 6 1HB LYS 6 -13.545 8.578 4.364 53 1HG LYS 6 2HG LYS 6 -14.286 8.046 2.143 54 2HG LYS 6 1HG LYS 6 -15.574 9.244 2.245 55 1HD LYS 6 2HD LYS 6 -12.723 10.074 2.620 56 2HD LYS 6 1HD LYS 6 -13.355 9.813 0.997 57 1HE LYS 6 2HE LYS 6 -13.479 12.177 1.653 58 2HE LYS 6 1HE LYS 6 -15.069 11.498 1.361 59 1HZ LYS 6 1HZ LYS 6 -13.884 11.923 4.073 60 2HZ LYS 6 2HZ LYS 6 -15.471 11.448 3.740 61 3HZ LYS 6 3HZ LYS 6 -14.912 12.976 3.282 62 H GLU 7 H GLU 7 -15.416 5.723 5.643 63 HA GLU 7 HA GLU 7 -15.729 6.413 8.351 64 1HB GLU 7 2HB GLU 7 -15.227 4.031 8.806 65 2HB GLU 7 1HB GLU 7 -16.478 4.261 7.595 66 1HG GLU 7 2HG GLU 7 -14.733 3.870 5.854 67 2HG GLU 7 1HG GLU 7 -13.624 3.440 7.157 68 H LYS 8 H LYS 8 -14.430 7.208 9.646 69 HA LYS 8 HA LYS 8 -12.645 7.944 10.757 70 1HB LYS 8 2HB LYS 8 -10.992 5.821 9.343 71 2HB LYS 8 1HB LYS 8 -10.571 6.657 10.829 72 1HG LYS 8 2HG LYS 8 -12.776 4.630 10.448 73 2HG LYS 8 1HG LYS 8 -11.267 4.411 11.334 74 1HD LYS 8 2HD LYS 8 -11.994 6.146 12.933 75 2HD LYS 8 1HD LYS 8 -13.515 6.293 12.054 76 1HE LYS 8 2HE LYS 8 -12.496 3.800 13.421 77 2HE LYS 8 1HE LYS 8 -13.747 4.874 14.039 78 1HZ LYS 8 1HZ LYS 8 -14.692 2.922 13.009 79 2HZ LYS 8 2HZ LYS 8 -13.936 3.222 11.547 80 3HZ LYS 8 3HZ LYS 8 -15.131 4.266 12.092 81 H GLU 9 H GLU 9 -11.182 6.943 7.740 82 HA GLU 9 HA GLU 9 -11.158 9.266 6.310 83 1HB GLU 9 2HB GLU 9 -9.683 10.181 8.159 84 2HB GLU 9 1HB GLU 9 -8.520 8.918 7.797 85 1HG GLU 9 2HG GLU 9 -8.246 9.846 5.533 86 2HG GLU 9 1HG GLU 9 -9.379 11.133 5.946 87 H LYS 10 H LYS 10 -8.462 7.164 7.182 88 HA LYS 10 HA LYS 10 -8.826 5.488 4.869 89 1HB LYS 10 2HB LYS 10 -6.377 5.965 4.161 90 2HB LYS 10 1HB LYS 10 -7.604 7.129 3.704 91 1HG LYS 10 2HG LYS 10 -5.770 8.411 4.391 92 2HG LYS 10 1HG LYS 10 -6.888 8.471 5.742 93 1HD LYS 10 2HD LYS 10 -4.708 8.195 6.652 94 2HD LYS 10 1HD LYS 10 -5.511 6.632 6.803 95 1HE LYS 10 2HE LYS 10 -4.354 5.816 4.838 96 2HE LYS 10 1HE LYS 10 -3.625 7.398 4.583 97 1HZ LYS 10 1HZ LYS 10 -3.068 5.504 6.821 98 2HZ LYS 10 2HZ LYS 10 -2.540 7.105 6.794 99 3HZ LYS 10 3HZ LYS 10 -1.995 6.050 5.640 100 H LYS 11 H LYS 11 -9.138 4.828 7.412 101 HA LYS 11 HA LYS 11 -6.774 4.134 8.784 102 1HB LYS 11 2HB LYS 11 -8.898 4.614 9.922 103 2HB LYS 11 1HB LYS 11 -9.604 3.172 9.212 104 1HG LYS 11 2HG LYS 11 -8.070 1.773 10.452 105 2HG LYS 11 1HG LYS 11 -7.263 3.202 11.100 106 1HD LYS 11 2HD LYS 11 -9.370 3.881 12.169 107 2HD LYS 11 1HD LYS 11 -10.133 2.413 11.558 108 1HE LYS 11 2HE LYS 11 -8.539 1.061 12.827 109 2HE LYS 11 1HE LYS 11 -7.781 2.532 13.440 110 1HZ LYS 11 1HZ LYS 11 -10.615 1.787 13.875 111 2HZ LYS 11 2HZ LYS 11 -9.808 3.101 14.577 112 3HZ LYS 11 3HZ LYS 11 -9.374 1.502 14.975 113 H GLU 12 H GLU 12 -5.506 2.616 8.410 114 HA GLU 12 HA GLU 12 -6.179 0.421 6.647 115 1HB GLU 12 2HB GLU 12 -3.722 0.199 6.411 116 2HB GLU 12 1HB GLU 12 -4.298 1.790 5.961 117 1HG GLU 12 2HG GLU 12 -2.992 1.140 8.616 118 2HG GLU 12 1HG GLU 12 -2.129 1.748 7.213 119 H GLN 13 H GLN 13 -7.172 0.264 9.238 120 HA GLN 13 HA GLN 13 -5.585 -1.128 11.083 121 1HB GLN 13 2HB GLN 13 -7.726 -1.853 12.114 122 2HB GLN 13 1HB GLN 13 -7.658 -0.131 11.741 123 1HG GLN 13 2HG GLN 13 -9.035 -0.406 9.828 124 2HG GLN 13 1HG GLN 13 -8.983 -2.157 9.980 125 1HE2 GLN 13 1HE2 GLN 13 -11.072 -2.424 10.155 126 2HE2 GLN 13 2HE2 GLN 13 -12.070 -1.897 11.481 127 H GLU 14 H GLU 14 -7.374 -2.206 8.422 128 HA GLU 14 HA GLU 14 -7.335 -5.012 8.919 129 1HB GLU 14 2HB GLU 14 -7.832 -3.416 6.438 130 2HB GLU 14 1HB GLU 14 -7.556 -5.135 6.299 131 1HG GLU 14 2HG GLU 14 -9.911 -4.694 6.280 132 2HG GLU 14 1HG GLU 14 -9.501 -5.537 7.763 133 H ILE 15 H ILE 15 -4.776 -2.902 7.828 134 HA ILE 15 HA ILE 15 -3.551 -4.978 6.176 135 HB ILE 15 HB ILE 15 -1.836 -3.372 5.565 136 1HG1 ILE 15 2HG1 ILE 15 -2.816 -1.418 7.604 137 2HG1 ILE 15 1HG1 ILE 15 -1.632 -2.636 8.078 138 1HG2 ILE 15 1HG2 ILE 15 -4.414 -1.872 5.914 139 2HG2 ILE 15 2HG2 ILE 15 -3.991 -2.924 4.564 140 3HG2 ILE 15 3HG2 ILE 15 -3.086 -1.430 4.837 141 1HD1 ILE 15 1HD1 ILE 15 -1.352 -0.564 5.944 142 2HD1 ILE 15 2HD1 ILE 15 -0.153 -1.805 6.378 143 3HD1 ILE 15 3HD1 ILE 15 -0.606 -0.560 7.556 144 H LYS 16 H LYS 16 -3.578 -3.847 9.284 145 HA LYS 16 HA LYS 16 -0.936 -4.603 10.081 146 1HB LYS 16 2HB LYS 16 -3.335 -3.537 11.535 147 2HB LYS 16 1HB LYS 16 -1.742 -3.766 12.264 148 1HG LYS 16 2HG LYS 16 -0.757 -2.134 10.954 149 2HG LYS 16 1HG LYS 16 -2.061 -2.166 9.770 150 1HD LYS 16 2HD LYS 16 -3.501 -1.037 11.166 151 2HD LYS 16 1HD LYS 16 -2.506 -1.287 12.588 152 1HE LYS 16 2HE LYS 16 -0.729 0.086 11.434 153 2HE LYS 16 1HE LYS 16 -1.906 0.415 10.167 154 1HZ LYS 16 1HZ LYS 16 -3.303 1.512 11.794 155 2HZ LYS 16 2HZ LYS 16 -1.753 2.187 11.741 156 3HZ LYS 16 3HZ LYS 16 -2.183 1.152 13.020 157 H LYS 17 H LYS 17 -3.757 -6.050 9.630 158 HA LYS 17 HA LYS 17 -3.159 -8.232 11.525 159 1HB LYS 17 2HB LYS 17 -5.732 -7.570 10.083 160 2HB LYS 17 1HB LYS 17 -5.497 -8.971 11.118 161 1HG LYS 17 2HG LYS 17 -5.148 -7.532 13.033 162 2HG LYS 17 1HG LYS 17 -5.281 -6.103 12.005 163 1HD LYS 17 2HD LYS 17 -7.585 -6.709 11.457 164 2HD LYS 17 1HD LYS 17 -7.444 -8.154 12.459 165 1HE LYS 17 2HE LYS 17 -7.150 -6.815 14.434 166 2HE LYS 17 1HE LYS 17 -7.104 -5.338 13.472 167 1HZ LYS 17 1HZ LYS 17 -9.368 -5.718 12.819 168 2HZ LYS 17 2HZ LYS 17 -9.258 -5.663 14.511 169 3HZ LYS 17 3HZ LYS 17 -9.468 -7.145 13.723 170 H LYS 18 H LYS 18 -2.562 -7.325 8.486 171 HA LYS 18 HA LYS 18 -2.948 -10.022 7.362 172 1HB LYS 18 2HB LYS 18 -3.998 -7.808 6.354 173 2HB LYS 18 1HB LYS 18 -2.404 -7.681 5.622 174 1HG LYS 18 2HG LYS 18 -3.481 -8.839 3.996 175 2HG LYS 18 1HG LYS 18 -2.895 -10.193 4.970 176 1HD LYS 18 2HD LYS 18 -5.229 -10.556 4.431 177 2HD LYS 18 1HD LYS 18 -5.085 -10.208 6.161 178 1HE LYS 18 2HE LYS 18 -5.699 -7.877 5.757 179 2HE LYS 18 1HE LYS 18 -5.811 -8.194 4.031 180 1HZ LYS 18 1HZ LYS 18 -7.649 -9.740 4.520 181 2HZ LYS 18 2HZ LYS 18 -7.962 -8.162 4.996 182 3HZ LYS 18 3HZ LYS 18 -7.571 -9.304 6.156 183 H PHE 19 H PHE 19 -0.775 -7.133 6.983 184 HA PHE 19 HA PHE 19 1.349 -8.910 6.129 185 1HB PHE 19 2HB PHE 19 0.885 -6.518 5.151 186 2HB PHE 19 1HB PHE 19 1.645 -5.910 6.617 187 HD1 PHE 19 1HD PHE 19 4.025 -6.437 7.089 188 HD2 PHE 19 2HD PHE 19 2.173 -7.332 3.371 189 HE1 PHE 19 1HE PHE 19 6.233 -6.577 6.029 190 HE2 PHE 19 2HE PHE 19 4.385 -7.475 2.310 191 HZ PHE 19 HZ PHE 19 6.423 -7.085 3.642 192 H LYS 20 H LYS 20 0.287 -7.040 8.828 193 HA LYS 20 HA LYS 20 0.901 -6.819 11.010 194 1HB LYS 20 2HB LYS 20 2.553 -9.318 10.521 195 2HB LYS 20 1HB LYS 20 2.160 -8.637 12.096 196 1HG LYS 20 2HG LYS 20 -0.190 -9.081 11.737 197 2HG LYS 20 1HG LYS 20 0.152 -9.688 10.116 198 1HD LYS 20 2HD LYS 20 1.513 -11.480 11.089 199 2HD LYS 20 1HD LYS 20 1.142 -10.876 12.706 200 1HE LYS 20 2HE LYS 20 -1.222 -11.290 12.341 201 2HE LYS 20 1HE LYS 20 -0.891 -11.831 10.696 202 1HZ LYS 20 1HZ LYS 20 -1.170 -13.701 12.146 203 2HZ LYS 20 2HZ LYS 20 0.061 -13.157 13.185 204 3HZ LYS 20 3HZ LYS 20 0.422 -13.645 11.609 205 H LEU 21 H LEU 21 1.777 -5.047 11.097 206 HA LEU 21 HA LEU 21 4.497 -4.670 10.058 207 1HB LEU 21 2HB LEU 21 2.407 -2.673 10.836 208 2HB LEU 21 1HB LEU 21 3.963 -2.303 10.223 209 HG LEU 21 HG LEU 21 2.584 -2.012 8.331 210 1HD1 LEU 21 1HD1 LEU 21 4.410 -3.433 7.730 211 2HD1 LEU 21 2HD1 LEU 21 2.955 -3.867 6.813 212 3HD1 LEU 21 3HD1 LEU 21 3.462 -4.854 8.175 213 1HD2 LEU 21 1HD2 LEU 21 1.066 -4.521 9.064 214 2HD2 LEU 21 2HD2 LEU 21 0.777 -3.523 7.650 215 3HD2 LEU 21 3HD2 LEU 21 0.486 -2.863 9.255 216 H THR 22 H THR 22 2.344 -3.390 12.382 217 HA THR 22 HA THR 22 2.425 -2.733 14.425 218 HB THR 22 HB THR 22 4.491 -4.832 15.019 219 HG1 THR 22 1HG THR 22 3.013 -6.365 14.498 220 1HG2 THR 22 1HG2 THR 22 1.924 -3.928 16.145 221 2HG2 THR 22 2HG2 THR 22 3.533 -3.377 16.677 222 3HG2 THR 22 3HG2 THR 22 3.032 -5.108 16.880 223 H GLY 23 H GLY 23 3.245 -0.762 13.894 224 1HA GLY 23 2HA GLY 23 4.838 0.756 15.005 225 2HA GLY 23 1HA GLY 23 6.101 -0.316 14.383 226 HA PRO 24 HA PRO 24 3.777 2.579 11.005 227 1HB PRO 24 2HB PRO 24 5.318 4.827 12.220 228 2HB PRO 24 1HB PRO 24 3.737 4.845 11.425 229 1HG PRO 24 2HG PRO 24 3.913 4.978 14.067 230 2HG PRO 24 1HG PRO 24 2.640 4.019 13.290 231 1HD PRO 24 2HD PRO 24 5.134 3.097 14.654 232 2HD PRO 24 1HD PRO 24 3.520 2.349 14.566 233 H ILE 25 H ILE 25 4.823 2.689 9.166 234 HA ILE 25 HA ILE 25 7.739 2.846 9.261 235 HB ILE 25 HB ILE 25 7.017 0.473 8.998 236 1HG1 ILE 25 2HG1 ILE 25 8.416 1.472 6.514 237 2HG1 ILE 25 1HG1 ILE 25 9.189 1.401 8.089 238 1HG2 ILE 25 1HG2 ILE 25 4.987 0.771 7.729 239 2HG2 ILE 25 2HG2 ILE 25 6.092 -0.282 6.842 240 3HG2 ILE 25 3HG2 ILE 25 5.901 1.405 6.359 241 1HD1 ILE 25 1HD1 ILE 25 8.841 -1.005 8.140 242 2HD1 ILE 25 2HD1 ILE 25 9.783 -0.491 6.738 243 3HD1 ILE 25 3HD1 ILE 25 8.078 -0.922 6.548 244 H GLN 26 H GLN 26 8.764 3.590 7.435 245 HA GLN 26 HA GLN 26 7.183 5.587 5.971 246 1HB GLN 26 2HB GLN 26 9.269 6.717 5.584 247 2HB GLN 26 1HB GLN 26 9.156 6.332 7.297 248 1HG GLN 26 2HG GLN 26 10.625 4.370 6.921 249 2HG GLN 26 1HG GLN 26 10.725 4.847 5.220 250 1HE2 GLN 26 1HE2 GLN 26 13.006 4.988 5.476 251 2HE2 GLN 26 2HE2 GLN 26 13.714 6.366 6.224 252 H VAL 27 H VAL 27 8.220 6.034 3.755 253 HA VAL 27 HA VAL 27 8.121 3.650 2.227 254 HB VAL 27 HB VAL 27 8.695 6.513 1.546 255 1HG1 VAL 27 1HG1 VAL 27 8.531 5.882 -0.808 256 2HG1 VAL 27 2HG1 VAL 27 8.452 4.173 -0.326 257 3HG1 VAL 27 3HG1 VAL 27 9.910 5.118 -0.011 258 1HG2 VAL 27 1HG2 VAL 27 6.440 6.012 2.161 259 2HG2 VAL 27 2HG2 VAL 27 6.427 4.677 0.991 260 3HG2 VAL 27 3HG2 VAL 27 6.545 6.343 0.418 261 H ILE 28 H ILE 28 9.659 2.554 1.549 262 HA ILE 28 HA ILE 28 12.405 3.171 2.307 263 HB ILE 28 HB ILE 28 11.237 0.615 1.157 264 1HG1 ILE 28 2HG1 ILE 28 10.351 1.058 3.383 265 2HG1 ILE 28 1HG1 ILE 28 11.460 -0.300 3.429 266 1HG2 ILE 28 1HG2 ILE 28 13.967 1.119 2.339 267 2HG2 ILE 28 2HG2 ILE 28 13.605 0.803 0.641 268 3HG2 ILE 28 3HG2 ILE 28 13.334 -0.454 1.848 269 1HD1 ILE 28 1HD1 ILE 28 11.730 1.143 5.364 270 2HD1 ILE 28 2HD1 ILE 28 12.073 2.517 4.311 271 3HD1 ILE 28 3HD1 ILE 28 13.186 1.152 4.374 272 H HIS 29 H HIS 29 10.305 2.852 -0.511 273 HA HIS 29 HA HIS 29 12.177 4.011 -2.307 274 1HB HIS 29 2HB HIS 29 11.736 1.030 -2.570 275 2HB HIS 29 1HB HIS 29 12.170 2.021 -3.946 276 HD1 HIS 29 1HD HIS 29 13.673 -0.231 -1.634 277 HD2 HIS 29 2HD HIS 29 14.783 3.515 -3.088 278 HE1 HIS 29 1HE HIS 29 16.096 -0.029 -1.197 279 HE2 HIS 29 2HE HIS 29 16.499 2.391 -1.548 280 H LEU 30 H LEU 30 11.273 4.023 -4.508 281 HA LEU 30 HA LEU 30 8.359 3.914 -4.305 282 1HB LEU 30 2HB LEU 30 10.105 5.620 -6.121 283 2HB LEU 30 1HB LEU 30 8.358 5.524 -6.214 284 HG LEU 30 HG LEU 30 8.204 6.540 -3.938 285 1HD1 LEU 30 1HD1 LEU 30 10.124 7.684 -2.969 286 2HD1 LEU 30 2HD1 LEU 30 11.171 6.986 -4.202 287 3HD1 LEU 30 3HD1 LEU 30 10.376 5.940 -3.026 288 1HD2 LEU 30 1HD2 LEU 30 7.979 7.916 -5.914 289 2HD2 LEU 30 2HD2 LEU 30 9.724 8.153 -5.966 290 3HD2 LEU 30 3HD2 LEU 30 8.786 8.802 -4.625 291 H ALA 31 H ALA 31 7.513 2.342 -5.291 292 HA ALA 31 HA ALA 31 8.973 0.850 -7.341 293 1HB ALA 31 1HB ALA 31 8.030 -0.461 -5.461 294 2HB ALA 31 2HB ALA 31 7.408 -0.944 -7.038 295 3HB ALA 31 3HB ALA 31 6.408 0.034 -5.977 296 H LYS 32 H LYS 32 7.934 0.042 -9.141 297 HA LYS 32 HA LYS 32 6.030 1.915 -10.351 298 1HB LYS 32 2HB LYS 32 8.257 1.727 -11.376 299 2HB LYS 32 1HB LYS 32 8.059 -0.008 -11.497 300 1HG LYS 32 2HG LYS 32 6.267 0.296 -13.089 301 2HG LYS 32 1HG LYS 32 6.413 2.050 -12.969 302 1HD LYS 32 2HD LYS 32 8.791 1.832 -13.692 303 2HD LYS 32 1HD LYS 32 8.523 0.104 -13.906 304 1HE LYS 32 2HE LYS 32 6.756 0.640 -15.544 305 2HE LYS 32 1HE LYS 32 7.168 2.348 -15.382 306 1HZ LYS 32 1HZ LYS 32 8.913 0.177 -16.429 307 2HZ LYS 32 2HZ LYS 32 9.472 1.716 -16.049 308 3HZ LYS 32 3HZ LYS 32 8.349 1.540 -17.271 309 H ALA 33 H ALA 33 4.011 1.129 -10.626 310 HA ALA 33 HA ALA 33 3.254 -1.526 -10.167 311 1HB ALA 33 1HB ALA 33 1.908 0.594 -11.840 312 2HB ALA 33 2HB ALA 33 1.668 0.353 -10.110 313 3HB ALA 33 3HB ALA 33 1.167 -0.880 -11.254 314 H CYS 34 H CYS 34 4.083 -3.111 -11.272 315 HA CYS 34 HA CYS 34 5.026 -2.859 -13.953 316 1HB CYS 34 2HB CYS 34 6.075 -4.304 -12.189 317 2HB CYS 34 1HB CYS 34 4.682 -5.368 -12.296 318 HG CYS 34 HG CYS 34 7.315 -5.004 -14.277 319 H CYS 35 H CYS 35 2.032 -3.658 -12.516 320 HA CYS 35 HA CYS 35 0.868 -4.149 -15.111 321 1HB CYS 35 2HB CYS 35 -0.262 -6.217 -14.357 322 2HB CYS 35 1HB CYS 35 1.483 -6.403 -14.468 323 HG CYS 35 HG CYS 35 0.326 -5.509 -11.455 324 H ASP 36 H ASP 36 -1.425 -4.030 -15.008 325 HA ASP 36 HA ASP 36 -2.387 -2.397 -12.812 326 1HB ASP 36 2HB ASP 36 -4.426 -2.011 -14.134 327 2HB ASP 36 1HB ASP 36 -3.007 -1.665 -15.098 328 H VAL 37 H VAL 37 -3.007 -3.373 -11.118 329 HA VAL 37 HA VAL 37 -4.639 -5.785 -11.412 330 HB VAL 37 HB VAL 37 -2.427 -6.207 -10.326 331 1HG1 VAL 37 1HG1 VAL 37 -2.064 -5.443 -8.065 332 2HG1 VAL 37 2HG1 VAL 37 -3.511 -4.437 -8.197 333 3HG1 VAL 37 3HG1 VAL 37 -2.123 -4.135 -9.242 334 1HG2 VAL 37 1HG2 VAL 37 -3.239 -7.454 -8.411 335 2HG2 VAL 37 2HG2 VAL 37 -4.261 -7.687 -9.831 336 3HG2 VAL 37 3HG2 VAL 37 -4.787 -6.620 -8.520 337 H LYS 38 H LYS 38 -6.472 -5.955 -9.958 338 HA LYS 38 HA LYS 38 -7.224 -3.326 -8.936 339 1HB LYS 38 2HB LYS 38 -9.590 -4.179 -8.816 340 2HB LYS 38 1HB LYS 38 -8.932 -4.000 -10.425 341 1HG LYS 38 2HG LYS 38 -8.860 -6.676 -9.100 342 2HG LYS 38 1HG LYS 38 -10.373 -6.075 -9.777 343 1HD LYS 38 2HD LYS 38 -7.766 -6.375 -11.280 344 2HD LYS 38 1HD LYS 38 -9.140 -7.480 -11.378 345 1HE LYS 38 2HE LYS 38 -10.536 -5.622 -12.219 346 2HE LYS 38 1HE LYS 38 -9.130 -4.564 -12.165 347 1HZ LYS 38 1HZ LYS 38 -9.535 -5.424 -14.391 348 2HZ LYS 38 2HZ LYS 38 -9.372 -7.009 -13.847 349 3HZ LYS 38 3HZ LYS 38 -8.056 -5.964 -13.813 350 H GLY 39 H GLY 39 -5.662 -5.698 -7.657 351 1HA GLY 39 2HA GLY 39 -5.330 -6.089 -5.364 352 2HA GLY 39 1HA GLY 39 -6.798 -5.172 -5.033 353 H GLY 40 H GLY 40 -5.839 -8.177 -6.663 354 1HA GLY 40 2HA GLY 40 -8.485 -9.269 -6.275 355 2HA GLY 40 1HA GLY 40 -7.145 -10.030 -7.112 356 H LYS 41 H LYS 41 -8.425 -9.230 -3.954 357 HA LYS 41 HA LYS 41 -8.442 -10.222 -2.001 358 1HB LYS 41 2HB LYS 41 -7.722 -12.722 -3.530 359 2HB LYS 41 1HB LYS 41 -8.127 -12.702 -1.820 360 1HG LYS 41 2HG LYS 41 -10.337 -11.793 -2.355 361 2HG LYS 41 1HG LYS 41 -9.928 -11.828 -4.070 362 1HD LYS 41 2HD LYS 41 -9.650 -14.252 -3.947 363 2HD LYS 41 1HD LYS 41 -10.055 -14.212 -2.229 364 1HE LYS 41 2HE LYS 41 -12.273 -13.325 -2.775 365 2HE LYS 41 1HE LYS 41 -11.859 -13.361 -4.491 366 1HZ LYS 41 1HZ LYS 41 -11.988 -15.716 -2.696 367 2HZ LYS 41 2HZ LYS 41 -11.626 -15.755 -4.355 368 3HZ LYS 41 3HZ LYS 41 -13.168 -15.302 -3.830 369 H ASN 42 H ASN 42 -6.950 -8.897 -1.279 370 HA ASN 42 HA ASN 42 -5.377 -8.554 0.277 371 1HB ASN 42 2HB ASN 42 -4.300 -11.296 -0.402 372 2HB ASN 42 1HB ASN 42 -3.478 -10.206 0.705 373 1HD2 ASN 42 1HD2 ASN 42 -4.700 -12.832 1.137 374 2HD2 ASN 42 2HD2 ASN 42 -5.844 -12.621 2.412 375 H GLU 43 H GLU 43 -5.328 -7.865 -2.537 376 HA GLU 43 HA GLU 43 -2.538 -6.977 -2.480 377 1HB GLU 43 2HB GLU 43 -4.123 -7.913 -4.779 378 2HB GLU 43 1HB GLU 43 -3.176 -6.482 -5.088 379 1HG GLU 43 2HG GLU 43 -1.767 -8.207 -5.748 380 2HG GLU 43 1HG GLU 43 -1.225 -7.841 -4.130 381 H LEU 44 H LEU 44 -2.243 -4.952 -3.787 382 HA LEU 44 HA LEU 44 -4.028 -2.830 -2.920 383 1HB LEU 44 2HB LEU 44 -1.628 -2.644 -2.543 384 2HB LEU 44 1HB LEU 44 -1.300 -3.030 -4.207 385 HG LEU 44 HG LEU 44 -2.275 -0.821 -4.859 386 1HD1 LEU 44 1HD1 LEU 44 -2.509 0.880 -3.193 387 2HD1 LEU 44 2HD1 LEU 44 -2.211 -0.292 -1.913 388 3HD1 LEU 44 3HD1 LEU 44 -3.679 -0.418 -2.923 389 1HD2 LEU 44 1HD2 LEU 44 0.021 -0.767 -2.926 390 2HD2 LEU 44 2HD2 LEU 44 -0.360 0.470 -4.122 391 3HD2 LEU 44 3HD2 LEU 44 0.101 -1.148 -4.646 392 H SER 45 H SER 45 -5.005 -1.476 -4.477 393 HA SER 45 HA SER 45 -5.140 -2.608 -7.148 394 1HB SER 45 2HB SER 45 -7.082 -0.904 -7.315 395 2HB SER 45 1HB SER 45 -7.304 -2.333 -6.307 396 HG SER 45 HG SER 45 -7.609 -1.064 -4.702 397 H PHE 46 H PHE 46 -4.100 -1.728 -8.779 398 HA PHE 46 HA PHE 46 -3.509 1.061 -8.900 399 1HB PHE 46 2HB PHE 46 -0.996 0.636 -9.166 400 2HB PHE 46 1HB PHE 46 -1.644 0.556 -7.533 401 HD1 PHE 46 1HD PHE 46 -0.240 -1.346 -10.329 402 HD2 PHE 46 2HD PHE 46 -1.632 -1.509 -6.332 403 HE1 PHE 46 1HE PHE 46 0.856 -3.525 -10.042 404 HE2 PHE 46 2HE PHE 46 -0.546 -3.680 -6.033 405 HZ PHE 46 HZ PHE 46 0.698 -4.699 -7.887 406 H LYS 47 H LYS 47 -2.435 1.600 -10.885 407 HA LYS 47 HA LYS 47 -3.116 -0.355 -12.956 408 1HB LYS 47 2HB LYS 47 -3.034 2.665 -13.110 409 2HB LYS 47 1HB LYS 47 -3.317 1.599 -14.481 410 1HG LYS 47 2HG LYS 47 -5.033 1.655 -12.036 411 2HG LYS 47 1HG LYS 47 -5.378 2.629 -13.473 412 1HD LYS 47 2HD LYS 47 -5.188 -0.396 -13.360 413 2HD LYS 47 1HD LYS 47 -6.693 0.524 -13.369 414 1HE LYS 47 2HE LYS 47 -4.610 0.527 -15.565 415 2HE LYS 47 1HE LYS 47 -6.125 -0.372 -15.599 416 1HZ LYS 47 1HZ LYS 47 -5.883 2.598 -15.478 417 2HZ LYS 47 2HZ LYS 47 -7.326 1.761 -15.534 418 3HZ LYS 47 3HZ LYS 47 -6.270 1.719 -16.845 419 H GLN 48 H GLN 48 -1.743 -0.452 -14.719 420 HA GLN 48 HA GLN 48 0.966 -0.741 -13.992 421 1HB GLN 48 2HB GLN 48 -0.402 -2.004 -15.748 422 2HB GLN 48 1HB GLN 48 -0.152 -0.629 -16.794 423 1HG GLN 48 2HG GLN 48 2.053 -2.344 -15.655 424 2HG GLN 48 1HG GLN 48 1.322 -2.576 -17.234 425 1HE2 GLN 48 1HE2 GLN 48 3.602 -0.774 -15.362 426 2HE2 GLN 48 2HE2 GLN 48 4.215 0.144 -16.695 427 H GLY 49 H GLY 49 2.400 0.794 -13.778 428 1HA GLY 49 2HA GLY 49 3.739 2.586 -14.443 429 2HA GLY 49 1HA GLY 49 2.554 2.973 -15.684 430 H GLU 50 H GLU 50 1.495 2.471 -12.455 431 HA GLU 50 HA GLU 50 0.812 5.294 -12.311 432 1HB GLU 50 2HB GLU 50 -0.294 2.871 -11.064 433 2HB GLU 50 1HB GLU 50 -0.447 4.353 -10.148 434 1HG GLU 50 2HG GLU 50 -1.409 3.880 -12.967 435 2HG GLU 50 1HG GLU 50 -2.417 3.979 -11.523 436 H GLN 51 H GLN 51 2.890 3.091 -10.898 437 HA GLN 51 HA GLN 51 4.518 3.190 -9.434 438 1HB GLN 51 2HB GLN 51 5.282 5.194 -10.473 439 2HB GLN 51 1HB GLN 51 4.101 6.162 -9.610 440 1HG GLN 51 2HG GLN 51 5.263 5.960 -7.593 441 2HG GLN 51 1HG GLN 51 6.258 4.638 -8.207 442 1HE2 GLN 51 1HE2 GLN 51 6.869 7.285 -7.095 443 2HE2 GLN 51 2HE2 GLN 51 7.964 7.984 -8.241 444 H ILE 52 H ILE 52 4.913 2.887 -7.428 445 HA ILE 52 HA ILE 52 2.757 3.335 -5.471 446 HB ILE 52 HB ILE 52 4.319 0.763 -5.854 447 1HG1 ILE 52 2HG1 ILE 52 1.698 1.594 -7.116 448 2HG1 ILE 52 1HG1 ILE 52 3.123 0.891 -7.814 449 1HG2 ILE 52 1HG2 ILE 52 2.582 -0.255 -4.460 450 2HG2 ILE 52 2HG2 ILE 52 1.805 1.320 -4.287 451 3HG2 ILE 52 3HG2 ILE 52 3.414 1.054 -3.618 452 1HD1 ILE 52 1HD1 ILE 52 1.301 -0.683 -7.718 453 2HD1 ILE 52 2HD1 ILE 52 1.285 -0.547 -5.967 454 3HD1 ILE 52 3HD1 ILE 52 2.697 -1.224 -6.779 455 H GLU 53 H GLU 53 3.752 2.874 -3.208 456 HA GLU 53 HA GLU 53 6.644 3.436 -3.214 457 1HB GLU 53 2HB GLU 53 4.854 3.997 -0.872 458 2HB GLU 53 1HB GLU 53 6.398 4.655 -1.315 459 1HG GLU 53 2HG GLU 53 5.562 6.067 -2.955 460 2HG GLU 53 1HG GLU 53 3.991 5.274 -2.986 461 H ILE 54 H ILE 54 7.858 1.967 -2.066 462 HA ILE 54 HA ILE 54 6.384 -0.264 -0.895 463 HB ILE 54 HB ILE 54 8.234 -0.950 -2.465 464 1HG1 ILE 54 2HG1 ILE 54 9.490 -2.464 -0.941 465 2HG1 ILE 54 1HG1 ILE 54 8.752 -1.636 0.423 466 1HG2 ILE 54 1HG2 ILE 54 10.541 -0.631 -1.924 467 2HG2 ILE 54 2HG2 ILE 54 10.088 0.374 -0.547 468 3HG2 ILE 54 3HG2 ILE 54 9.716 0.905 -2.187 469 1HD1 ILE 54 1HD1 ILE 54 7.658 -3.683 -0.048 470 2HD1 ILE 54 2HD1 ILE 54 7.310 -3.153 -1.698 471 3HD1 ILE 54 3HD1 ILE 54 6.581 -2.314 -0.314 472 H ILE 55 H ILE 55 6.181 -0.472 1.174 473 HA ILE 55 HA ILE 55 7.883 1.202 2.842 474 HB ILE 55 HB ILE 55 6.085 0.983 4.652 475 1HG1 ILE 55 2HG1 ILE 55 4.828 -0.789 3.213 476 2HG1 ILE 55 1HG1 ILE 55 3.850 0.370 4.113 477 1HG2 ILE 55 1HG2 ILE 55 5.507 2.640 2.211 478 2HG2 ILE 55 2HG2 ILE 55 6.550 3.074 3.567 479 3HG2 ILE 55 3HG2 ILE 55 4.813 2.899 3.811 480 1HD1 ILE 55 1HD1 ILE 55 3.012 0.005 1.905 481 2HD1 ILE 55 2HD1 ILE 55 4.592 0.396 1.215 482 3HD1 ILE 55 3HD1 ILE 55 3.651 1.647 2.025 483 H ARG 56 H ARG 56 6.166 -1.964 3.007 484 HA ARG 56 HA ARG 56 8.467 -2.676 4.622 485 1HB ARG 56 2HB ARG 56 6.075 -2.648 5.908 486 2HB ARG 56 1HB ARG 56 5.897 -4.136 5.032 487 1HG ARG 56 2HG ARG 56 7.515 -5.204 5.987 488 2HG ARG 56 1HG ARG 56 8.436 -3.779 6.516 489 1HD ARG 56 2HD ARG 56 6.326 -3.471 8.052 490 2HD ARG 56 1HD ARG 56 6.088 -5.194 7.729 491 HE ARG 56 HE ARG 56 8.628 -4.150 8.741 492 1HH1 ARG 56 1HH1 ARG 56 5.967 -6.499 9.098 493 2HH1 ARG 56 2HH1 ARG 56 6.710 -7.311 10.385 494 1HH2 ARG 56 1HH2 ARG 56 9.547 -5.223 10.570 495 2HH2 ARG 56 2HH2 ARG 56 8.737 -6.514 11.326 496 H ILE 57 H ILE 57 9.542 -4.357 4.081 497 HA ILE 57 HA ILE 57 8.558 -5.959 1.831 498 HB ILE 57 HB ILE 57 11.113 -6.379 1.436 499 1HG1 ILE 57 2HG1 ILE 57 11.809 -4.975 3.449 500 2HG1 ILE 57 1HG1 ILE 57 12.654 -4.646 1.944 501 1HG2 ILE 57 1HG2 ILE 57 11.231 -4.565 -0.183 502 2HG2 ILE 57 2HG2 ILE 57 9.779 -3.864 0.532 503 3HG2 ILE 57 3HG2 ILE 57 9.711 -5.455 -0.226 504 1HD1 ILE 57 1HD1 ILE 57 12.113 -2.566 3.128 505 2HD1 ILE 57 2HD1 ILE 57 10.402 -3.025 3.105 506 3HD1 ILE 57 3HD1 ILE 57 11.227 -2.677 1.595 507 H THR 58 H THR 58 10.122 -5.966 4.922 508 HA THR 58 HA THR 58 10.380 -8.861 4.743 509 HB THR 58 HB THR 58 11.859 -8.462 6.822 510 HG1 THR 58 1HG THR 58 11.950 -6.451 7.357 511 1HG2 THR 58 1HG2 THR 58 13.817 -8.109 5.378 512 2HG2 THR 58 2HG2 THR 58 12.737 -7.599 4.069 513 3HG2 THR 58 3HG2 THR 58 12.670 -9.254 4.675 514 H ASP 59 H ASP 59 10.034 -10.057 6.589 515 HA ASP 59 HA ASP 59 8.876 -10.907 8.224 516 1HB ASP 59 2HB ASP 59 9.917 -9.220 9.638 517 2HB ASP 59 1HB ASP 59 8.623 -8.084 9.270 518 H ASN 60 H ASN 60 7.503 -11.353 6.461 519 HA ASN 60 HA ASN 60 4.769 -10.794 7.333 520 1HB ASN 60 2HB ASN 60 3.951 -10.342 5.102 521 2HB ASN 60 1HB ASN 60 5.283 -9.239 5.416 522 1HD2 ASN 60 1HD2 ASN 60 7.217 -9.525 4.308 523 2HD2 ASN 60 2HD2 ASN 60 7.321 -10.494 2.893 524 HA PRO 61 HA PRO 61 4.553 -15.135 6.497 525 1HB PRO 61 2HB PRO 61 1.959 -15.613 6.556 526 2HB PRO 61 1HB PRO 61 2.781 -14.890 7.944 527 1HG PRO 61 2HG PRO 61 1.022 -13.607 5.906 528 2HG PRO 61 1HG PRO 61 1.175 -13.256 7.634 529 1HD PRO 61 2HD PRO 61 2.420 -11.871 5.503 530 2HD PRO 61 1HD PRO 61 2.775 -11.693 7.233 531 H GLU 62 H GLU 62 4.082 -13.302 3.823 532 HA GLU 62 HA GLU 62 3.003 -15.592 2.276 533 1HB GLU 62 2HB GLU 62 1.408 -13.701 2.449 534 2HB GLU 62 1HB GLU 62 2.585 -12.667 1.663 535 1HG GLU 62 2HG GLU 62 1.011 -13.274 0.017 536 2HG GLU 62 1HG GLU 62 2.469 -14.202 -0.318 537 H GLY 63 H GLY 63 5.383 -13.023 2.416 538 1HA GLY 63 2HA GLY 63 7.475 -13.136 1.359 539 2HA GLY 63 1HA GLY 63 6.779 -14.197 0.127 540 H LYS 64 H LYS 64 4.635 -11.829 0.820 541 HA LYS 64 HA LYS 64 5.152 -10.456 -1.651 542 1HB LYS 64 2HB LYS 64 2.881 -9.871 -1.598 543 2HB LYS 64 1HB LYS 64 2.937 -11.521 -1.009 544 1HG LYS 64 2HG LYS 64 2.852 -10.483 1.352 545 2HG LYS 64 1HG LYS 64 2.422 -8.995 0.522 546 1HD LYS 64 2HD LYS 64 0.903 -11.590 0.563 547 2HD LYS 64 1HD LYS 64 0.370 -10.002 1.112 548 1HE LYS 64 2HE LYS 64 0.466 -9.198 -1.208 549 2HE LYS 64 1HE LYS 64 0.941 -10.807 -1.731 550 1HZ LYS 64 1HZ LYS 64 -1.241 -11.581 -0.751 551 2HZ LYS 64 2HZ LYS 64 -1.268 -10.588 -2.125 552 3HZ LYS 64 3HZ LYS 64 -1.646 -9.908 -0.653 553 H TRP 65 H TRP 65 4.665 -8.044 -1.559 554 HA TRP 65 HA TRP 65 6.213 -6.955 0.694 555 1HB TRP 65 2HB TRP 65 5.808 -6.029 -2.118 556 2HB TRP 65 1HB TRP 65 6.510 -4.987 -0.902 557 HD1 TRP 65 HD TRP 65 8.135 -7.790 0.256 558 HE1 TRP 65 1HE TRP 65 10.318 -8.365 -1.002 559 HE3 TRP 65 3HE TRP 65 7.366 -5.078 -4.025 560 HZ2 TRP 65 2HZ TRP 65 11.534 -7.725 -3.442 561 HZ3 TRP 65 3HZ TRP 65 9.088 -5.116 -5.746 562 HH2 TRP 65 HH TRP 65 11.121 -6.407 -5.465 563 H LEU 66 H LEU 66 5.639 -4.664 1.205 564 HA LEU 66 HA LEU 66 2.728 -4.391 1.155 565 1HB LEU 66 2HB LEU 66 3.796 -4.558 3.397 566 2HB LEU 66 1HB LEU 66 4.730 -3.122 3.027 567 HG LEU 66 HG LEU 66 2.606 -1.845 2.820 568 1HD1 LEU 66 1HD1 LEU 66 1.173 -3.700 2.281 569 2HD1 LEU 66 2HD1 LEU 66 0.598 -2.827 3.723 570 3HD1 LEU 66 3HD1 LEU 66 1.448 -4.370 3.894 571 1HD2 LEU 66 1HD2 LEU 66 3.010 -3.260 5.431 572 2HD2 LEU 66 2HD2 LEU 66 2.116 -1.762 5.189 573 3HD2 LEU 66 3HD2 LEU 66 3.861 -1.808 4.897 574 H GLY 67 H GLY 67 2.171 -3.059 -0.426 575 1HA GLY 67 2HA GLY 67 3.937 -0.792 -0.894 576 2HA GLY 67 1HA GLY 67 2.957 -1.530 -2.179 577 H ARG 68 H ARG 68 3.110 1.200 -1.112 578 HA ARG 68 HA ARG 68 0.321 1.558 -0.246 579 1HB ARG 68 2HB ARG 68 1.795 1.999 1.553 580 2HB ARG 68 1HB ARG 68 2.790 3.089 0.590 581 1HG ARG 68 2HG ARG 68 0.600 4.456 0.432 582 2HG ARG 68 1HG ARG 68 0.062 3.484 1.805 583 1HD ARG 68 2HD ARG 68 2.056 4.154 3.042 584 2HD ARG 68 1HD ARG 68 2.611 5.113 1.672 585 HE ARG 68 HE ARG 68 0.383 5.726 3.472 586 1HH1 ARG 68 1HH1 ARG 68 2.427 6.772 0.678 587 2HH1 ARG 68 2HH1 ARG 68 1.947 8.380 0.853 588 1HH2 ARG 68 1HH2 ARG 68 -0.295 7.998 3.541 589 2HH2 ARG 68 2HH2 ARG 68 0.361 9.077 2.420 590 H THR 69 H THR 69 -0.618 3.405 -0.964 591 HA THR 69 HA THR 69 0.677 4.791 -3.226 592 HB THR 69 HB THR 69 -2.332 4.643 -2.796 593 HG1 THR 69 1HG THR 69 -0.615 2.664 -3.421 594 1HG2 THR 69 1HG2 THR 69 -1.407 6.283 -4.416 595 2HG2 THR 69 2HG2 THR 69 -2.362 5.035 -5.222 596 3HG2 THR 69 3HG2 THR 69 -0.601 4.965 -5.266 597 H ALA 70 H ALA 70 -0.086 7.116 -3.330 598 HA ALA 70 HA ALA 70 0.930 8.459 -1.136 599 1HB ALA 70 1HB ALA 70 0.787 9.382 -3.387 600 2HB ALA 70 2HB ALA 70 0.188 10.505 -2.164 601 3HB ALA 70 3HB ALA 70 -0.949 9.611 -3.176 602 H ARG 71 H ARG 71 -2.357 7.620 -1.670 603 HA ARG 71 HA ARG 71 -3.554 9.284 0.304 604 1HB ARG 71 2HB ARG 71 -4.916 8.413 -1.427 605 2HB ARG 71 1HB ARG 71 -4.409 6.770 -1.104 606 1HG ARG 71 2HG ARG 71 -6.722 7.245 -0.421 607 2HG ARG 71 1HG ARG 71 -5.702 6.715 0.913 608 1HD ARG 71 2HD ARG 71 -5.460 8.876 1.691 609 2HD ARG 71 1HD ARG 71 -6.320 9.605 0.314 610 HE ARG 71 HE ARG 71 -7.905 7.661 1.649 611 1HH1 ARG 71 1HH1 ARG 71 -6.719 10.933 2.241 612 2HH1 ARG 71 2HH1 ARG 71 -8.159 11.482 2.957 613 1HH2 ARG 71 1HH2 ARG 71 -9.810 8.340 2.692 614 2HH2 ARG 71 2HH2 ARG 71 -9.991 9.945 3.259 615 H GLY 72 H GLY 72 -1.884 6.295 0.472 616 1HA GLY 72 2HA GLY 72 -1.136 5.261 2.406 617 2HA GLY 72 1HA GLY 72 -2.333 6.117 3.357 618 H SER 73 H SER 73 -1.914 3.703 0.934 619 HA SER 73 HA SER 73 -4.177 2.231 1.819 620 1HB SER 73 2HB SER 73 -3.472 2.708 -1.047 621 2HB SER 73 1HB SER 73 -4.942 1.983 -0.435 622 HG SER 73 HG SER 73 -5.498 4.079 0.480 623 H TYR 74 H TYR 74 -3.289 0.493 2.122 624 HA TYR 74 HA TYR 74 -0.614 -0.184 1.106 625 1HB TYR 74 2HB TYR 74 -2.086 -0.341 3.574 626 2HB TYR 74 1HB TYR 74 -0.657 -1.438 3.458 627 HD1 TYR 74 1HD TYR 74 1.565 -0.109 3.595 628 HD2 TYR 74 2HD TYR 74 -2.208 1.756 4.185 629 HE1 TYR 74 1HE TYR 74 2.669 1.762 4.754 630 HE2 TYR 74 2HE TYR 74 -1.119 3.627 5.324 631 HH TYR 74 HH TYR 74 2.272 4.130 5.318 632 H GLY 75 H GLY 75 -1.193 -1.701 -0.459 633 1HA GLY 75 2HA GLY 75 -3.338 -3.519 0.304 634 2HA GLY 75 1HA GLY 75 -2.856 -3.192 -1.357 635 H TYR 76 H TYR 76 -0.227 -3.701 0.547 636 HA TYR 76 HA TYR 76 1.318 -5.359 0.390 637 1HB TYR 76 2HB TYR 76 -0.022 -7.767 1.047 638 2HB TYR 76 1HB TYR 76 0.869 -6.752 2.157 639 HD1 TYR 76 1HD TYR 76 -2.362 -7.992 1.167 640 HD2 TYR 76 2HD TYR 76 -0.422 -4.983 3.440 641 HE1 TYR 76 1HE TYR 76 -4.472 -7.500 2.316 642 HE2 TYR 76 2HE TYR 76 -2.490 -4.495 4.585 643 HH TYR 76 HH TYR 76 -4.960 -4.732 4.074 644 H ILE 77 H ILE 77 1.766 -5.206 -1.536 645 HA ILE 77 HA ILE 77 0.507 -6.330 -3.769 646 HB ILE 77 HB ILE 77 2.849 -6.019 -4.684 647 1HG1 ILE 77 2HG1 ILE 77 3.016 -4.382 -2.158 648 2HG1 ILE 77 1HG1 ILE 77 4.047 -5.716 -2.653 649 1HG2 ILE 77 1HG2 ILE 77 0.910 -4.631 -5.296 650 2HG2 ILE 77 2HG2 ILE 77 2.332 -3.605 -5.096 651 3HG2 ILE 77 3HG2 ILE 77 1.109 -3.674 -3.821 652 1HD1 ILE 77 1HD1 ILE 77 5.159 -3.594 -2.893 653 2HD1 ILE 77 2HD1 ILE 77 3.861 -3.039 -3.967 654 3HD1 ILE 77 3HD1 ILE 77 4.907 -4.372 -4.462 655 H LYS 78 H LYS 78 0.885 -8.140 -4.741 656 HA LYS 78 HA LYS 78 2.885 -9.868 -3.689 657 1HB LYS 78 2HB LYS 78 2.216 -11.413 -5.466 658 2HB LYS 78 1HB LYS 78 0.772 -10.832 -4.653 659 1HG LYS 78 2HG LYS 78 0.354 -9.295 -6.457 660 2HG LYS 78 1HG LYS 78 1.935 -9.796 -7.108 661 1HD LYS 78 2HD LYS 78 0.155 -10.927 -8.394 662 2HD LYS 78 1HD LYS 78 1.012 -12.106 -7.415 663 1HE LYS 78 2HE LYS 78 -1.669 -10.869 -6.708 664 2HE LYS 78 1HE LYS 78 -1.461 -12.440 -7.468 665 1HZ LYS 78 1HZ LYS 78 -1.822 -12.778 -5.154 666 2HZ LYS 78 2HZ LYS 78 -0.750 -11.613 -4.706 667 3HZ LYS 78 3HZ LYS 78 -0.167 -13.068 -5.402 668 H THR 79 H THR 79 4.536 -9.350 -4.076 669 HA THR 79 HA THR 79 6.130 -7.507 -5.104 670 HB THR 79 HB THR 79 8.010 -9.068 -5.252 671 HG1 THR 79 1HG THR 79 6.117 -11.122 -4.670 672 1HG2 THR 79 1HG2 THR 79 7.197 -8.372 -3.052 673 2HG2 THR 79 2HG2 THR 79 7.804 -10.026 -3.010 674 3HG2 THR 79 3HG2 THR 79 6.065 -9.724 -3.037 675 H THR 80 H THR 80 5.120 -10.233 -7.085 676 HA THR 80 HA THR 80 6.584 -9.612 -9.412 677 HB THR 80 HB THR 80 5.794 -11.854 -8.918 678 HG1 THR 80 1HG THR 80 5.820 -10.922 -11.230 679 1HG2 THR 80 1HG2 THR 80 3.759 -11.302 -7.740 680 2HG2 THR 80 2HG2 THR 80 3.361 -12.424 -9.030 681 3HG2 THR 80 3HG2 THR 80 3.012 -10.696 -9.201 682 H ALA 81 H ALA 81 3.914 -7.972 -8.066 683 HA ALA 81 HA ALA 81 2.833 -7.194 -10.638 684 1HB ALA 81 1HB ALA 81 1.114 -6.064 -9.332 685 2HB ALA 81 2HB ALA 81 1.968 -6.460 -7.841 686 3HB ALA 81 3HB ALA 81 1.276 -7.745 -8.831 687 H VAL 82 H VAL 82 5.346 -6.263 -8.639 688 HA VAL 82 HA VAL 82 5.313 -3.596 -9.846 689 HB VAL 82 HB VAL 82 6.247 -2.576 -7.799 690 1HG1 VAL 82 1HG1 VAL 82 3.913 -2.273 -8.310 691 2HG1 VAL 82 2HG1 VAL 82 4.158 -2.373 -6.572 692 3HG1 VAL 82 3HG1 VAL 82 3.500 -3.757 -7.454 693 1HG2 VAL 82 1HG2 VAL 82 5.445 -5.168 -6.496 694 2HG2 VAL 82 2HG2 VAL 82 5.979 -3.718 -5.648 695 3HG2 VAL 82 3HG2 VAL 82 7.091 -4.575 -6.717 696 H GLU 83 H GLU 83 7.330 -2.515 -9.680 697 HA GLU 83 HA GLU 83 9.710 -4.177 -9.283 698 1HB GLU 83 2HB GLU 83 9.130 -2.257 -11.538 699 2HB GLU 83 1HB GLU 83 10.718 -2.951 -11.232 700 1HG GLU 83 2HG GLU 83 9.828 -5.189 -11.669 701 2HG GLU 83 1HG GLU 83 8.235 -4.498 -11.938 702 H ILE 84 H ILE 84 10.787 -3.163 -7.637 703 HA ILE 84 HA ILE 84 10.041 -0.446 -7.012 704 HB ILE 84 HB ILE 84 11.492 -0.492 -5.107 705 1HG1 ILE 84 2HG1 ILE 84 12.421 -3.263 -5.818 706 2HG1 ILE 84 1HG1 ILE 84 13.308 -1.831 -6.345 707 1HG2 ILE 84 1HG2 ILE 84 10.562 -2.399 -3.870 708 2HG2 ILE 84 2HG2 ILE 84 10.005 -3.096 -5.394 709 3HG2 ILE 84 3HG2 ILE 84 9.343 -1.559 -4.832 710 1HD1 ILE 84 1HD1 ILE 84 12.671 -2.573 -3.509 711 2HD1 ILE 84 2HD1 ILE 84 13.506 -1.121 -4.053 712 3HD1 ILE 84 3HD1 ILE 84 14.253 -2.704 -4.308 713 H ASP 85 H ASP 85 11.622 1.242 -6.599 714 HA ASP 85 HA ASP 85 13.617 1.312 -8.748 715 1HB ASP 85 2HB ASP 85 12.044 3.242 -8.500 716 2HB ASP 85 1HB ASP 85 12.702 3.530 -6.897 717 H TYR 86 H TYR 86 15.642 0.823 -8.248 718 HA TYR 86 HA TYR 86 16.325 0.493 -5.459 719 1HB TYR 86 2HB TYR 86 17.886 -0.099 -7.967 720 2HB TYR 86 1HB TYR 86 18.440 -0.436 -6.337 721 HD1 TYR 86 1HD TYR 86 17.711 -2.383 -5.190 722 HD2 TYR 86 2HD TYR 86 15.978 -1.333 -8.917 723 HE1 TYR 86 1HE TYR 86 16.704 -4.617 -5.351 724 HE2 TYR 86 2HE TYR 86 14.966 -3.549 -9.083 725 HH TYR 86 HH TYR 86 15.377 -5.735 -8.270 726 H ASP 87 H ASP 87 18.221 1.337 -4.586 727 HA ASP 87 HA ASP 87 19.227 3.759 -5.889 728 1HB ASP 87 2HB ASP 87 17.628 4.399 -4.108 729 2HB ASP 87 1HB ASP 87 18.568 3.468 -2.946 730 H SER 88 H SER 88 21.329 3.578 -6.175 731 HA SER 88 HA SER 88 22.704 1.358 -4.950 732 1HB SER 88 2HB SER 88 23.671 3.362 -7.001 733 2HB SER 88 1HB SER 88 24.411 1.808 -6.609 734 HG SER 88 HG SER 88 21.994 2.347 -7.980 735 H LEU 89 H LEU 89 24.449 1.559 -3.616 736 HA LEU 89 HA LEU 89 24.719 4.148 -2.320 737 1HB LEU 89 2HB LEU 89 25.662 1.413 -1.456 738 2HB LEU 89 1HB LEU 89 26.046 2.881 -0.596 739 HG LEU 89 HG LEU 89 24.338 1.796 0.590 740 1HD1 LEU 89 1HD1 LEU 89 24.086 4.158 0.527 741 2HD1 LEU 89 2HD1 LEU 89 22.502 3.385 0.573 742 3HD1 LEU 89 3HD1 LEU 89 23.113 4.054 -0.937 743 1HD2 LEU 89 1HD2 LEU 89 22.160 1.177 -0.362 744 2HD2 LEU 89 2HD2 LEU 89 23.487 0.294 -1.111 745 3HD2 LEU 89 3HD2 LEU 89 22.739 1.646 -1.961 746 H LYS 90 H LYS 90 25.944 5.160 -3.918 747 HA LYS 90 HA LYS 90 28.547 4.063 -4.564 748 1HB LYS 90 2HB LYS 90 28.908 6.092 -5.905 749 2HB LYS 90 1HB LYS 90 27.374 5.343 -6.312 750 1HG LYS 90 2HG LYS 90 26.144 7.027 -5.205 751 2HG LYS 90 1HG LYS 90 27.579 7.640 -4.385 752 1HD LYS 90 2HD LYS 90 26.949 9.122 -6.206 753 2HD LYS 90 1HD LYS 90 28.495 8.351 -6.544 754 1HE LYS 90 2HE LYS 90 27.201 8.368 -8.553 755 2HE LYS 90 1HE LYS 90 27.287 6.708 -7.968 756 1HZ LYS 90 1HZ LYS 90 25.093 7.320 -8.730 757 2HZ LYS 90 2HZ LYS 90 24.963 8.530 -7.547 758 3HZ LYS 90 3HZ LYS 90 25.049 6.903 -7.117 759 H LEU 91 H LEU 91 27.132 6.016 -2.199 760 HA LEU 91 HA LEU 91 29.675 7.200 -1.414 761 1HB LEU 91 2HB LEU 91 26.915 7.504 -0.232 762 2HB LEU 91 1HB LEU 91 28.343 8.351 0.325 763 HG LEU 91 HG LEU 91 27.036 8.652 -2.378 764 1HD1 LEU 91 1HD1 LEU 91 26.509 10.909 -1.609 765 2HD1 LEU 91 2HD1 LEU 91 27.199 10.530 -0.031 766 3HD1 LEU 91 3HD1 LEU 91 25.756 9.681 -0.589 767 1HD2 LEU 91 1HD2 LEU 91 29.454 8.918 -2.546 768 2HD2 LEU 91 2HD2 LEU 91 29.437 10.068 -1.211 769 3HD2 LEU 91 3HD2 LEU 91 28.646 10.474 -2.735 770 H LYS 92 H LYS 92 28.546 4.264 -1.116 771 HA LYS 92 HA LYS 92 29.651 3.942 1.582 772 1HB LYS 92 2HB LYS 92 27.191 3.548 1.628 773 2HB LYS 92 1HB LYS 92 27.389 2.299 0.404 774 1HG LYS 92 2HG LYS 92 28.866 1.066 2.008 775 2HG LYS 92 1HG LYS 92 28.451 2.266 3.228 776 1HD LYS 92 2HD LYS 92 27.063 0.299 3.516 777 2HD LYS 92 1HD LYS 92 26.061 1.643 2.966 778 1HE LYS 92 2HE LYS 92 26.112 0.784 0.696 779 2HE LYS 92 1HE LYS 92 27.189 -0.517 1.192 780 1HZ LYS 92 1HZ LYS 92 24.909 -1.232 0.971 781 2HZ LYS 92 2HZ LYS 92 24.378 -0.184 2.175 782 3HZ LYS 92 3HZ LYS 92 25.455 -1.455 2.530 783 H LYS 93 H LYS 93 31.658 3.352 0.933 784 HA LYS 93 HA LYS 93 31.998 0.666 0.364 785 1HB LYS 93 2HB LYS 93 33.086 0.585 -1.810 786 2HB LYS 93 1HB LYS 93 31.522 1.328 -2.018 787 1HG LYS 93 2HG LYS 93 34.197 2.741 -2.005 788 2HG LYS 93 1HG LYS 93 33.222 2.370 -3.420 789 1HD LYS 93 2HD LYS 93 31.486 3.888 -2.611 790 2HD LYS 93 1HD LYS 93 32.453 4.226 -1.169 791 1HE LYS 93 2HE LYS 93 34.245 5.105 -2.581 792 2HE LYS 93 1HE LYS 93 33.278 4.768 -4.015 793 1HZ LYS 93 1HZ LYS 93 33.108 7.072 -3.416 794 2HZ LYS 93 2HZ LYS 93 32.580 6.694 -1.852 795 3HZ LYS 93 3HZ LYS 93 31.617 6.310 -3.188 796 H ASP 94 H ASP 94 32.941 1.145 2.361 797 HA ASP 94 HA ASP 94 35.456 2.576 2.347 798 1HB ASP 94 2HB ASP 94 34.010 2.623 4.373 799 2HB ASP 94 1HB ASP 94 34.265 0.894 4.570 800 H LEU 95 H LEU 95 36.357 1.291 0.681 801 HA LEU 95 HA LEU 95 37.802 -0.970 1.829 802 1HB LEU 95 2HB LEU 95 36.656 -0.983 -0.986 803 2HB LEU 95 1HB LEU 95 37.777 -2.165 -0.367 804 HG LEU 95 HG LEU 95 35.917 -2.738 1.344 805 1HD1 LEU 95 1HD1 LEU 95 34.481 -0.826 0.972 806 2HD1 LEU 95 2HD1 LEU 95 33.640 -2.331 0.599 807 3HD1 LEU 95 3HD1 LEU 95 34.244 -1.310 -0.707 808 1HD2 LEU 95 1HD2 LEU 95 34.848 -4.253 -0.239 809 2HD2 LEU 95 2HD2 LEU 95 36.598 -4.211 -0.444 810 3HD2 LEU 95 3HD2 LEU 95 35.557 -3.350 -1.579 811 H GLU 96 H GLU 96 39.244 0.850 2.154 812 HA GLU 96 HA GLU 96 40.845 1.388 -0.250 813 1HB GLU 96 2HB GLU 96 40.388 3.100 2.197 814 2HB GLU 96 1HB GLU 96 41.625 3.424 0.998 815 1HG GLU 96 2HG GLU 96 38.665 3.362 0.479 816 2HG GLU 96 1HG GLU 96 39.645 4.811 0.700 Start of MODEL 11 1 1H GLU 1 1HT GLU 1 -26.960 3.120 -9.990 2 2H GLU 1 2HT GLU 1 -26.183 2.856 -11.488 3 3H GLU 1 3HT GLU 1 -26.611 4.418 -11.020 4 HA GLU 1 HA GLU 1 -24.658 2.712 -9.649 5 1HB GLU 1 2HB GLU 1 -24.364 5.008 -11.557 6 2HB GLU 1 1HB GLU 1 -23.119 4.657 -10.373 7 1HG GLU 1 2HG GLU 1 -24.121 2.753 -12.468 8 2HG GLU 1 1HG GLU 1 -22.630 3.692 -12.559 9 H LYS 2 H LYS 2 -24.739 3.051 -7.618 10 HA LYS 2 HA LYS 2 -25.516 5.619 -6.493 11 1HB LYS 2 2HB LYS 2 -26.199 3.246 -5.643 12 2HB LYS 2 1HB LYS 2 -24.557 3.135 -5.047 13 1HG LYS 2 2HG LYS 2 -24.973 5.090 -3.604 14 2HG LYS 2 1HG LYS 2 -26.641 5.139 -4.192 15 1HD LYS 2 2HD LYS 2 -26.812 2.708 -3.424 16 2HD LYS 2 1HD LYS 2 -25.300 2.986 -2.568 17 1HE LYS 2 2HE LYS 2 -27.914 4.448 -2.139 18 2HE LYS 2 1HE LYS 2 -27.204 3.243 -1.076 19 1HZ LYS 2 1HZ LYS 2 -26.782 5.378 -0.183 20 2HZ LYS 2 2HZ LYS 2 -26.243 5.995 -1.615 21 3HZ LYS 2 3HZ LYS 2 -25.293 4.856 -0.774 22 H LYS 3 H LYS 3 -23.721 6.931 -7.101 23 HA LYS 3 HA LYS 3 -21.062 5.815 -6.796 24 1HB LYS 3 2HB LYS 3 -21.815 7.216 -8.781 25 2HB LYS 3 1HB LYS 3 -21.785 8.606 -7.709 26 1HG LYS 3 2HG LYS 3 -19.404 8.321 -7.356 27 2HG LYS 3 1HG LYS 3 -19.414 6.855 -8.335 28 1HD LYS 3 2HD LYS 3 -20.100 9.631 -9.312 29 2HD LYS 3 1HD LYS 3 -18.568 8.804 -9.574 30 1HE LYS 3 2HE LYS 3 -21.274 7.915 -10.585 31 2HE LYS 3 1HE LYS 3 -20.014 8.672 -11.547 32 1HZ LYS 3 1HZ LYS 3 -20.020 6.313 -11.890 33 2HZ LYS 3 2HZ LYS 3 -19.880 5.981 -10.257 34 3HZ LYS 3 3HZ LYS 3 -18.594 6.714 -11.095 35 H GLU 4 H GLU 4 -23.149 7.088 -4.782 36 HA GLU 4 HA GLU 4 -21.608 8.861 -3.211 37 1HB GLU 4 2HB GLU 4 -23.986 7.137 -2.478 38 2HB GLU 4 1HB GLU 4 -23.277 8.335 -1.412 39 1HG GLU 4 2HG GLU 4 -25.292 9.193 -2.452 40 2HG GLU 4 1HG GLU 4 -23.888 10.105 -2.997 41 H GLN 5 H GLN 5 -21.752 5.452 -3.553 42 HA GLN 5 HA GLN 5 -20.233 4.993 -1.104 43 1HB GLN 5 2HB GLN 5 -20.682 2.634 -1.475 44 2HB GLN 5 1HB GLN 5 -22.195 3.528 -1.586 45 1HG GLN 5 2HG GLN 5 -22.010 3.490 -4.028 46 2HG GLN 5 1HG GLN 5 -20.535 2.548 -3.886 47 1HE2 GLN 5 1HE2 GLN 5 -21.322 0.884 -5.000 48 2HE2 GLN 5 2HE2 GLN 5 -22.563 -0.185 -4.435 49 H LYS 6 H LYS 6 -18.360 3.609 -1.273 50 HA LYS 6 HA LYS 6 -17.065 2.745 -3.534 51 1HB LYS 6 2HB LYS 6 -16.715 5.313 -3.846 52 2HB LYS 6 1HB LYS 6 -15.792 5.273 -2.356 53 1HG LYS 6 2HG LYS 6 -14.165 3.761 -3.392 54 2HG LYS 6 1HG LYS 6 -15.108 3.762 -4.881 55 1HD LYS 6 2HD LYS 6 -14.720 6.175 -5.105 56 2HD LYS 6 1HD LYS 6 -13.768 6.155 -3.618 57 1HE LYS 6 2HE LYS 6 -12.174 4.616 -4.658 58 2HE LYS 6 1HE LYS 6 -13.138 4.599 -6.130 59 1HZ LYS 6 1HZ LYS 6 -12.693 6.973 -6.394 60 2HZ LYS 6 2HZ LYS 6 -11.257 6.099 -6.337 61 3HZ LYS 6 3HZ LYS 6 -11.747 6.978 -4.989 62 H GLU 7 H GLU 7 -14.530 2.511 -2.520 63 HA GLU 7 HA GLU 7 -15.011 1.148 -0.070 64 1HB GLU 7 2HB GLU 7 -12.465 1.607 -1.637 65 2HB GLU 7 1HB GLU 7 -12.484 0.772 -0.095 66 1HG GLU 7 2HG GLU 7 -12.427 -0.810 -1.940 67 2HG GLU 7 1HG GLU 7 -13.929 -0.956 -1.033 68 H LYS 8 H LYS 8 -15.718 2.660 1.267 69 HA LYS 8 HA LYS 8 -13.992 4.841 1.899 70 1HB LYS 8 2HB LYS 8 -15.878 5.464 3.570 71 2HB LYS 8 1HB LYS 8 -16.180 5.634 1.856 72 1HG LYS 8 2HG LYS 8 -18.148 4.692 2.579 73 2HG LYS 8 1HG LYS 8 -17.252 3.262 2.092 74 1HD LYS 8 2HD LYS 8 -18.353 2.845 4.199 75 2HD LYS 8 1HD LYS 8 -16.608 2.922 4.466 76 1HE LYS 8 2HE LYS 8 -16.820 5.224 5.244 77 2HE LYS 8 1HE LYS 8 -18.556 5.177 4.944 78 1HZ LYS 8 1HZ LYS 8 -18.078 4.816 7.265 79 2HZ LYS 8 2HZ LYS 8 -17.076 3.512 6.911 80 3HZ LYS 8 3HZ LYS 8 -18.745 3.426 6.593 81 H GLU 9 H GLU 9 -12.305 3.921 2.567 82 HA GLU 9 HA GLU 9 -12.388 2.360 5.018 83 1HB GLU 9 2HB GLU 9 -11.219 1.377 3.143 84 2HB GLU 9 1HB GLU 9 -10.231 2.815 2.965 85 1HG GLU 9 2HG GLU 9 -9.116 2.372 5.025 86 2HG GLU 9 1HG GLU 9 -10.214 1.033 5.375 87 H LYS 10 H LYS 10 -12.087 3.379 6.800 88 HA LYS 10 HA LYS 10 -11.312 6.098 6.893 89 1HB LYS 10 2HB LYS 10 -11.507 5.847 9.377 90 2HB LYS 10 1HB LYS 10 -12.933 5.350 8.480 91 1HG LYS 10 2HG LYS 10 -12.119 2.989 8.692 92 2HG LYS 10 1HG LYS 10 -10.873 3.596 9.783 93 1HD LYS 10 2HD LYS 10 -12.568 4.431 11.294 94 2HD LYS 10 1HD LYS 10 -13.840 3.920 10.181 95 1HE LYS 10 2HE LYS 10 -13.061 1.589 10.429 96 2HE LYS 10 1HE LYS 10 -11.879 2.139 11.615 97 1HZ LYS 10 1HZ LYS 10 -13.697 2.912 13.010 98 2HZ LYS 10 2HZ LYS 10 -13.901 1.250 12.636 99 3HZ LYS 10 3HZ LYS 10 -14.813 2.407 11.842 100 H LYS 11 H LYS 11 -9.586 3.124 7.849 101 HA LYS 11 HA LYS 11 -7.102 4.500 7.437 102 1HB LYS 11 2HB LYS 11 -7.921 3.579 10.167 103 2HB LYS 11 1HB LYS 11 -6.240 3.475 9.678 104 1HG LYS 11 2HG LYS 11 -6.285 5.917 9.227 105 2HG LYS 11 1HG LYS 11 -7.929 5.955 9.865 106 1HD LYS 11 2HD LYS 11 -6.277 6.622 11.556 107 2HD LYS 11 1HD LYS 11 -7.133 5.155 12.021 108 1HE LYS 11 2HE LYS 11 -4.726 5.007 12.518 109 2HE LYS 11 1HE LYS 11 -5.228 3.797 11.348 110 1HZ LYS 11 1HZ LYS 11 -3.077 5.031 10.909 111 2HZ LYS 11 2HZ LYS 11 -4.019 6.362 10.415 112 3HZ LYS 11 3HZ LYS 11 -4.123 4.891 9.628 113 H GLU 12 H GLU 12 -5.282 3.073 7.673 114 HA GLU 12 HA GLU 12 -5.935 0.490 6.634 115 1HB GLU 12 2HB GLU 12 -3.177 0.553 6.776 116 2HB GLU 12 1HB GLU 12 -4.143 0.971 5.373 117 1HG GLU 12 2HG GLU 12 -2.390 2.627 5.852 118 2HG GLU 12 1HG GLU 12 -4.005 3.318 5.913 119 H GLN 13 H GLN 13 -6.890 -0.249 8.468 120 HA GLN 13 HA GLN 13 -5.215 -0.811 10.783 121 1HB GLN 13 2HB GLN 13 -7.462 -0.002 11.268 122 2HB GLN 13 1HB GLN 13 -8.173 -1.248 10.269 123 1HG GLN 13 2HG GLN 13 -6.636 -1.883 12.788 124 2HG GLN 13 1HG GLN 13 -8.347 -1.488 12.806 125 1HE2 GLN 13 1HE2 GLN 13 -8.895 -2.890 10.282 126 2HE2 GLN 13 2HE2 GLN 13 -8.794 -4.566 10.587 127 H GLU 14 H GLU 14 -6.874 -2.353 8.252 128 HA GLU 14 HA GLU 14 -6.613 -5.044 8.991 129 1HB GLU 14 2HB GLU 14 -6.884 -3.732 6.309 130 2HB GLU 14 1HB GLU 14 -6.777 -5.476 6.481 131 1HG GLU 14 2HG GLU 14 -8.847 -3.768 7.828 132 2HG GLU 14 1HG GLU 14 -9.080 -4.607 6.291 133 H ILE 15 H ILE 15 -4.427 -2.888 7.455 134 HA ILE 15 HA ILE 15 -2.695 -4.812 6.392 135 HB ILE 15 HB ILE 15 -1.084 -3.054 6.001 136 1HG1 ILE 15 2HG1 ILE 15 -2.630 -1.120 7.660 137 2HG1 ILE 15 1HG1 ILE 15 -1.496 -2.197 8.474 138 1HG2 ILE 15 1HG2 ILE 15 -3.871 -1.940 5.864 139 2HG2 ILE 15 2HG2 ILE 15 -3.106 -2.986 4.671 140 3HG2 ILE 15 3HG2 ILE 15 -2.471 -1.364 4.957 141 1HD1 ILE 15 1HD1 ILE 15 -0.489 -0.093 7.952 142 2HD1 ILE 15 2HD1 ILE 15 -0.852 -0.356 6.216 143 3HD1 ILE 15 3HD1 ILE 15 0.258 -1.434 7.075 144 H LYS 16 H LYS 16 -2.887 -3.462 9.660 145 HA LYS 16 HA LYS 16 -0.343 -4.627 10.341 146 1HB LYS 16 2HB LYS 16 -2.367 -3.322 12.173 147 2HB LYS 16 1HB LYS 16 -0.837 -3.972 12.708 148 1HG LYS 16 2HG LYS 16 -0.303 -1.769 12.587 149 2HG LYS 16 1HG LYS 16 0.111 -2.246 10.945 150 1HD LYS 16 2HD LYS 16 -1.993 -1.385 10.123 151 2HD LYS 16 1HD LYS 16 -2.539 -1.050 11.769 152 1HE LYS 16 2HE LYS 16 -0.605 0.525 12.010 153 2HE LYS 16 1HE LYS 16 -0.243 0.270 10.306 154 1HZ LYS 16 1HZ LYS 16 -1.550 2.282 10.620 155 2HZ LYS 16 2HZ LYS 16 -2.753 1.420 11.409 156 3HZ LYS 16 3HZ LYS 16 -2.459 1.156 9.772 157 H LYS 17 H LYS 17 -3.259 -5.841 9.867 158 HA LYS 17 HA LYS 17 -2.703 -8.031 11.746 159 1HB LYS 17 2HB LYS 17 -4.937 -6.738 11.836 160 2HB LYS 17 1HB LYS 17 -5.330 -7.572 10.343 161 1HG LYS 17 2HG LYS 17 -6.282 -8.683 12.301 162 2HG LYS 17 1HG LYS 17 -5.121 -9.717 11.458 163 1HD LYS 17 2HD LYS 17 -3.411 -9.207 13.067 164 2HD LYS 17 1HD LYS 17 -4.438 -8.006 13.840 165 1HE LYS 17 2HE LYS 17 -5.961 -9.744 14.561 166 2HE LYS 17 1HE LYS 17 -5.001 -10.957 13.709 167 1HZ LYS 17 1HZ LYS 17 -4.515 -10.828 16.142 168 2HZ LYS 17 2HZ LYS 17 -3.909 -9.265 15.901 169 3HZ LYS 17 3HZ LYS 17 -3.170 -10.559 15.164 170 H LYS 18 H LYS 18 -2.664 -7.051 8.553 171 HA LYS 18 HA LYS 18 -2.974 -9.733 7.455 172 1HB LYS 18 2HB LYS 18 -3.832 -7.317 6.569 173 2HB LYS 18 1HB LYS 18 -2.329 -7.480 5.678 174 1HG LYS 18 2HG LYS 18 -4.021 -8.325 4.286 175 2HG LYS 18 1HG LYS 18 -3.165 -9.732 4.921 176 1HD LYS 18 2HD LYS 18 -5.556 -10.132 4.992 177 2HD LYS 18 1HD LYS 18 -4.926 -10.001 6.634 178 1HE LYS 18 2HE LYS 18 -5.701 -7.669 6.741 179 2HE LYS 18 1HE LYS 18 -6.342 -7.800 5.108 180 1HZ LYS 18 1HZ LYS 18 -8.118 -8.113 6.724 181 2HZ LYS 18 2HZ LYS 18 -7.248 -9.276 7.524 182 3HZ LYS 18 3HZ LYS 18 -7.838 -9.613 5.975 183 H PHE 19 H PHE 19 -0.604 -6.941 6.993 184 HA PHE 19 HA PHE 19 1.390 -8.909 6.247 185 1HB PHE 19 2HB PHE 19 1.014 -6.575 5.131 186 2HB PHE 19 1HB PHE 19 1.786 -5.914 6.560 187 HD1 PHE 19 1HD PHE 19 2.287 -7.209 3.308 188 HD2 PHE 19 2HD PHE 19 4.174 -6.803 7.090 189 HE1 PHE 19 1HE PHE 19 4.483 -7.474 2.250 190 HE2 PHE 19 2HE PHE 19 6.370 -7.066 6.030 191 HZ PHE 19 HZ PHE 19 6.533 -7.384 3.610 192 H LYS 20 H LYS 20 0.301 -6.903 8.774 193 HA LYS 20 HA LYS 20 0.675 -6.766 10.981 194 1HB LYS 20 2HB LYS 20 2.312 -9.298 10.615 195 2HB LYS 20 1HB LYS 20 1.785 -8.647 12.159 196 1HG LYS 20 2HG LYS 20 -0.537 -9.080 11.593 197 2HG LYS 20 1HG LYS 20 -0.073 -9.605 9.973 198 1HD LYS 20 2HD LYS 20 1.169 -11.481 10.919 199 2HD LYS 20 1HD LYS 20 0.790 -10.934 12.549 200 1HE LYS 20 2HE LYS 20 -0.659 -12.786 11.935 201 2HE LYS 20 1HE LYS 20 -1.604 -11.312 12.102 202 1HZ LYS 20 1HZ LYS 20 -1.658 -11.124 9.675 203 2HZ LYS 20 2HZ LYS 20 -2.280 -12.588 10.166 204 3HZ LYS 20 3HZ LYS 20 -0.743 -12.537 9.507 205 H LEU 21 H LEU 21 1.684 -4.847 10.842 206 HA LEU 21 HA LEU 21 4.619 -4.885 10.577 207 1HB LEU 21 2HB LEU 21 2.850 -2.440 10.618 208 2HB LEU 21 1HB LEU 21 4.496 -2.538 10.265 209 HG LEU 21 HG LEU 21 3.531 -2.248 8.131 210 1HD1 LEU 21 1HD1 LEU 21 3.755 -5.192 8.450 211 2HD1 LEU 21 2HD1 LEU 21 5.066 -4.081 8.023 212 3HD1 LEU 21 3HD1 LEU 21 3.698 -4.343 6.918 213 1HD2 LEU 21 1HD2 LEU 21 1.559 -3.421 7.288 214 2HD2 LEU 21 2HD2 LEU 21 1.165 -2.533 8.753 215 3HD2 LEU 21 3HD2 LEU 21 1.397 -4.282 8.806 216 H THR 22 H THR 22 2.278 -2.850 12.021 217 HA THR 22 HA THR 22 1.837 -2.086 13.957 218 HB THR 22 HB THR 22 3.248 -4.393 15.252 219 HG1 THR 22 1HG THR 22 0.599 -4.799 14.644 220 1HG2 THR 22 1HG2 THR 22 0.752 -2.879 15.598 221 2HG2 THR 22 2HG2 THR 22 2.273 -2.608 16.480 222 3HG2 THR 22 3HG2 THR 22 1.357 -4.157 16.683 223 H GLY 23 H GLY 23 3.224 -0.394 13.396 224 1HA GLY 23 2HA GLY 23 4.725 0.659 15.360 225 2HA GLY 23 1HA GLY 23 5.890 -0.222 14.369 226 HA PRO 24 HA PRO 24 4.681 3.823 12.241 227 1HB PRO 24 2HB PRO 24 6.944 5.227 13.405 228 2HB PRO 24 1HB PRO 24 5.232 5.641 13.508 229 1HG PRO 24 2HG PRO 24 6.698 4.800 15.647 230 2HG PRO 24 1HG PRO 24 4.950 4.545 15.495 231 1HD PRO 24 2HD PRO 24 7.194 2.628 14.956 232 2HD PRO 24 1HD PRO 24 5.637 2.343 15.769 233 H ILE 25 H ILE 25 5.371 3.154 10.323 234 HA ILE 25 HA ILE 25 8.260 2.891 9.948 235 HB ILE 25 HB ILE 25 7.748 1.334 8.006 236 1HG1 ILE 25 2HG1 ILE 25 5.551 0.038 8.240 237 2HG1 ILE 25 1HG1 ILE 25 4.984 1.339 9.272 238 1HG2 ILE 25 1HG2 ILE 25 8.628 0.532 10.088 239 2HG2 ILE 25 2HG2 ILE 25 7.453 -0.620 9.449 240 3HG2 ILE 25 3HG2 ILE 25 7.008 0.451 10.779 241 1HD1 ILE 25 1HD1 ILE 25 5.748 1.566 6.369 242 2HD1 ILE 25 2HD1 ILE 25 5.191 2.892 7.389 243 3HD1 ILE 25 3HD1 ILE 25 4.110 1.548 7.022 244 H GLN 26 H GLN 26 8.922 3.101 7.545 245 HA GLN 26 HA GLN 26 7.544 5.395 6.371 246 1HB GLN 26 2HB GLN 26 9.652 6.455 5.840 247 2HB GLN 26 1HB GLN 26 9.584 6.170 7.568 248 1HG GLN 26 2HG GLN 26 11.015 4.355 5.655 249 2HG GLN 26 1HG GLN 26 11.782 5.743 6.405 250 1HE2 GLN 26 1HE2 GLN 26 12.178 5.649 8.627 251 2HE2 GLN 26 2HE2 GLN 26 12.143 4.177 9.534 252 H VAL 27 H VAL 27 9.140 5.669 4.136 253 HA VAL 27 HA VAL 27 8.405 3.197 2.776 254 HB VAL 27 HB VAL 27 7.431 5.249 1.797 255 1HG1 VAL 27 1HG1 VAL 27 10.254 6.069 1.210 256 2HG1 VAL 27 2HG1 VAL 27 9.136 6.878 2.332 257 3HG1 VAL 27 3HG1 VAL 27 8.797 6.845 0.594 258 1HG2 VAL 27 1HG2 VAL 27 7.851 3.388 0.338 259 2HG2 VAL 27 2HG2 VAL 27 9.486 3.970 0.031 260 3HG2 VAL 27 3HG2 VAL 27 8.095 4.908 -0.520 261 H ILE 28 H ILE 28 9.854 2.111 1.489 262 HA ILE 28 HA ILE 28 12.636 2.564 2.216 263 HB ILE 28 HB ILE 28 11.312 0.119 1.032 264 1HG1 ILE 28 2HG1 ILE 28 10.467 0.503 3.266 265 2HG1 ILE 28 1HG1 ILE 28 11.582 -0.854 3.300 266 1HG2 ILE 28 1HG2 ILE 28 13.662 0.230 0.466 267 2HG2 ILE 28 2HG2 ILE 28 13.353 -1.067 1.617 268 3HG2 ILE 28 3HG2 ILE 28 14.084 0.448 2.168 269 1HD1 ILE 28 1HD1 ILE 28 11.878 0.577 5.242 270 2HD1 ILE 28 2HD1 ILE 28 12.187 1.962 4.191 271 3HD1 ILE 28 3HD1 ILE 28 13.317 0.607 4.224 272 H HIS 29 H HIS 29 10.492 2.236 -0.629 273 HA HIS 29 HA HIS 29 12.445 3.426 -2.364 274 1HB HIS 29 2HB HIS 29 11.747 0.503 -2.704 275 2HB HIS 29 1HB HIS 29 12.285 1.487 -4.045 276 HD1 HIS 29 1HD HIS 29 13.484 -0.977 -1.800 277 HD2 HIS 29 2HD HIS 29 15.089 2.623 -3.164 278 HE1 HIS 29 1HE HIS 29 15.942 -1.142 -1.417 279 HE2 HIS 29 2HE HIS 29 16.921 0.989 -2.271 280 H LEU 30 H LEU 30 11.515 3.516 -4.599 281 HA LEU 30 HA LEU 30 8.613 3.674 -4.396 282 1HB LEU 30 2HB LEU 30 10.496 4.865 -6.463 283 2HB LEU 30 1HB LEU 30 8.756 5.021 -6.470 284 HG LEU 30 HG LEU 30 9.599 7.079 -5.754 285 1HD1 LEU 30 1HD1 LEU 30 8.748 7.357 -3.499 286 2HD1 LEU 30 2HD1 LEU 30 8.671 5.603 -3.329 287 3HD1 LEU 30 3HD1 LEU 30 7.677 6.417 -4.537 288 1HD2 LEU 30 1HD2 LEU 30 11.298 5.647 -3.708 289 2HD2 LEU 30 2HD2 LEU 30 11.137 7.395 -3.855 290 3HD2 LEU 30 3HD2 LEU 30 11.877 6.465 -5.161 291 H ALA 31 H ALA 31 7.614 2.049 -5.232 292 HA ALA 31 HA ALA 31 8.941 0.457 -7.280 293 1HB ALA 31 1HB ALA 31 8.053 -0.870 -5.368 294 2HB ALA 31 2HB ALA 31 7.362 -1.299 -6.928 295 3HB ALA 31 3HB ALA 31 6.421 -0.330 -5.811 296 H LYS 32 H LYS 32 7.829 -0.241 -9.011 297 HA LYS 32 HA LYS 32 6.039 1.766 -10.111 298 1HB LYS 32 2HB LYS 32 7.968 1.503 -11.414 299 2HB LYS 32 1HB LYS 32 7.989 -0.233 -11.173 300 1HG LYS 32 2HG LYS 32 5.869 -0.312 -12.531 301 2HG LYS 32 1HG LYS 32 6.174 1.372 -12.956 302 1HD LYS 32 2HD LYS 32 8.307 0.779 -13.907 303 2HD LYS 32 1HD LYS 32 8.133 -0.882 -13.342 304 1HE LYS 32 2HE LYS 32 6.100 -1.060 -14.781 305 2HE LYS 32 1HE LYS 32 6.508 0.523 -15.447 306 1HZ LYS 32 1HZ LYS 32 8.638 -0.381 -16.169 307 2HZ LYS 32 2HZ LYS 32 7.348 -1.303 -16.812 308 3HZ LYS 32 3HZ LYS 32 8.226 -1.880 -15.493 309 H ALA 33 H ALA 33 3.936 1.105 -10.308 310 HA ALA 33 HA ALA 33 3.162 -1.598 -9.964 311 1HB ALA 33 1HB ALA 33 1.064 -0.838 -10.993 312 2HB ALA 33 2HB ALA 33 1.823 0.695 -11.402 313 3HB ALA 33 3HB ALA 33 1.575 0.251 -9.707 314 H CYS 34 H CYS 34 3.938 -3.074 -11.305 315 HA CYS 34 HA CYS 34 4.797 -2.341 -13.960 316 1HB CYS 34 2HB CYS 34 5.961 -4.023 -12.498 317 2HB CYS 34 1HB CYS 34 4.616 -5.117 -12.797 318 HG CYS 34 HG CYS 34 7.061 -4.085 -14.832 319 H CYS 35 H CYS 35 1.932 -3.390 -12.572 320 HA CYS 35 HA CYS 35 0.727 -3.870 -15.146 321 1HB CYS 35 2HB CYS 35 0.514 -5.818 -12.825 322 2HB CYS 35 1HB CYS 35 -0.370 -5.921 -14.344 323 HG CYS 35 HG CYS 35 2.663 -5.836 -15.309 324 H ASP 36 H ASP 36 -1.520 -3.543 -14.992 325 HA ASP 36 HA ASP 36 -2.321 -2.020 -12.641 326 1HB ASP 36 2HB ASP 36 -4.301 -1.280 -13.961 327 2HB ASP 36 1HB ASP 36 -2.793 -0.888 -14.765 328 H VAL 37 H VAL 37 -3.020 -3.163 -11.086 329 HA VAL 37 HA VAL 37 -4.815 -5.413 -11.670 330 HB VAL 37 HB VAL 37 -2.504 -5.887 -10.585 331 1HG1 VAL 37 1HG1 VAL 37 -3.987 -4.824 -8.253 332 2HG1 VAL 37 2HG1 VAL 37 -2.560 -4.124 -9.010 333 3HG1 VAL 37 3HG1 VAL 37 -2.448 -5.695 -8.169 334 1HG2 VAL 37 1HG2 VAL 37 -5.002 -6.936 -9.272 335 2HG2 VAL 37 2HG2 VAL 37 -3.395 -7.658 -9.153 336 3HG2 VAL 37 3HG2 VAL 37 -4.218 -7.589 -10.717 337 H LYS 38 H LYS 38 -6.417 -5.802 -9.949 338 HA LYS 38 HA LYS 38 -7.415 -3.269 -8.835 339 1HB LYS 38 2HB LYS 38 -9.571 -4.343 -8.824 340 2HB LYS 38 1HB LYS 38 -8.837 -4.441 -10.418 341 1HG LYS 38 2HG LYS 38 -8.107 -6.757 -9.858 342 2HG LYS 38 1HG LYS 38 -9.045 -6.630 -8.371 343 1HD LYS 38 2HD LYS 38 -10.136 -6.114 -11.046 344 2HD LYS 38 1HD LYS 38 -10.125 -7.753 -10.403 345 1HE LYS 38 2HE LYS 38 -12.339 -6.870 -9.964 346 2HE LYS 38 1HE LYS 38 -11.484 -6.900 -8.435 347 1HZ LYS 38 1HZ LYS 38 -12.805 -4.889 -8.776 348 2HZ LYS 38 2HZ LYS 38 -11.893 -4.456 -10.117 349 3HZ LYS 38 3HZ LYS 38 -11.197 -4.473 -8.595 350 H GLY 39 H GLY 39 -5.499 -5.542 -7.595 351 1HA GLY 39 2HA GLY 39 -5.247 -5.931 -5.245 352 2HA GLY 39 1HA GLY 39 -6.973 -5.620 -5.035 353 H GLY 40 H GLY 40 -4.776 -7.763 -6.694 354 1HA GLY 40 2HA GLY 40 -6.851 -9.733 -7.125 355 2HA GLY 40 1HA GLY 40 -5.175 -9.842 -7.650 356 H LYS 41 H LYS 41 -7.456 -10.623 -5.317 357 HA LYS 41 HA LYS 41 -7.545 -11.828 -3.485 358 1HB LYS 41 2HB LYS 41 -6.440 -13.554 -4.910 359 2HB LYS 41 1HB LYS 41 -4.880 -12.994 -4.328 360 1HG LYS 41 2HG LYS 41 -5.589 -13.579 -2.028 361 2HG LYS 41 1HG LYS 41 -7.074 -14.242 -2.691 362 1HD LYS 41 2HD LYS 41 -5.576 -16.060 -2.308 363 2HD LYS 41 1HD LYS 41 -5.670 -15.814 -4.050 364 1HE LYS 41 2HE LYS 41 -3.476 -14.594 -2.383 365 2HE LYS 41 1HE LYS 41 -3.360 -16.238 -2.986 366 1HZ LYS 41 1HZ LYS 41 -3.452 -15.442 -5.208 367 2HZ LYS 41 2HZ LYS 41 -2.239 -14.602 -4.425 368 3HZ LYS 41 3HZ LYS 41 -3.701 -13.843 -4.757 369 H ASN 42 H ASN 42 -7.404 -9.848 -2.384 370 HA ASN 42 HA ASN 42 -6.735 -8.482 -0.773 371 1HB ASN 42 2HB ASN 42 -6.847 -10.458 0.636 372 2HB ASN 42 1HB ASN 42 -5.250 -10.972 0.129 373 1HD2 ASN 42 1HD2 ASN 42 -3.533 -10.284 1.240 374 2HD2 ASN 42 2HD2 ASN 42 -3.591 -9.208 2.588 375 H GLU 43 H GLU 43 -5.770 -7.279 -2.513 376 HA GLU 43 HA GLU 43 -2.945 -6.801 -2.058 377 1HB GLU 43 2HB GLU 43 -3.354 -8.481 -3.866 378 2HB GLU 43 1HB GLU 43 -4.310 -7.313 -4.684 379 1HG GLU 43 2HG GLU 43 -2.440 -5.955 -5.164 380 2HG GLU 43 1HG GLU 43 -1.395 -6.942 -4.125 381 H LEU 44 H LEU 44 -2.544 -4.798 -3.793 382 HA LEU 44 HA LEU 44 -4.418 -2.698 -2.991 383 1HB LEU 44 2HB LEU 44 -1.651 -2.905 -3.137 384 2HB LEU 44 1HB LEU 44 -2.071 -2.059 -4.607 385 HG LEU 44 HG LEU 44 -2.697 -1.150 -1.805 386 1HD1 LEU 44 1HD1 LEU 44 -0.817 -0.117 -3.854 387 2HD1 LEU 44 2HD1 LEU 44 -0.430 -0.957 -2.327 388 3HD1 LEU 44 3HD1 LEU 44 -1.201 0.637 -2.297 389 1HD2 LEU 44 1HD2 LEU 44 -3.240 0.258 -4.400 390 2HD2 LEU 44 2HD2 LEU 44 -3.427 0.934 -2.782 391 3HD2 LEU 44 3HD2 LEU 44 -4.459 -0.405 -3.300 392 H SER 45 H SER 45 -5.288 -1.315 -4.618 393 HA SER 45 HA SER 45 -5.183 -2.435 -7.258 394 1HB SER 45 2HB SER 45 -7.198 -0.818 -7.603 395 2HB SER 45 1HB SER 45 -7.442 -2.294 -6.667 396 HG SER 45 HG SER 45 -7.465 0.356 -5.887 397 H PHE 46 H PHE 46 -4.292 -1.382 -8.894 398 HA PHE 46 HA PHE 46 -3.626 1.381 -8.773 399 1HB PHE 46 2HB PHE 46 -1.107 0.877 -8.975 400 2HB PHE 46 1HB PHE 46 -1.823 0.766 -7.366 401 HD1 PHE 46 1HD PHE 46 -1.702 -1.230 -6.160 402 HD2 PHE 46 2HD PHE 46 -0.652 -1.213 -10.267 403 HE1 PHE 46 1HE PHE 46 -0.784 -3.488 -5.935 404 HE2 PHE 46 2HE PHE 46 0.272 -3.475 -10.051 405 HZ PHE 46 HZ PHE 46 0.201 -4.622 -7.886 406 H LYS 47 H LYS 47 -2.151 1.889 -10.674 407 HA LYS 47 HA LYS 47 -2.854 0.134 -12.914 408 1HB LYS 47 2HB LYS 47 -2.582 3.120 -12.768 409 2HB LYS 47 1HB LYS 47 -2.807 2.222 -14.267 410 1HG LYS 47 2HG LYS 47 -4.991 1.449 -13.377 411 2HG LYS 47 1HG LYS 47 -4.739 2.496 -11.979 412 1HD LYS 47 2HD LYS 47 -4.558 4.441 -13.456 413 2HD LYS 47 1HD LYS 47 -4.846 3.400 -14.852 414 1HE LYS 47 2HE LYS 47 -7.040 2.814 -13.949 415 2HE LYS 47 1HE LYS 47 -6.751 3.878 -12.570 416 1HZ LYS 47 1HZ LYS 47 -6.865 4.732 -15.414 417 2HZ LYS 47 2HZ LYS 47 -6.593 5.747 -14.104 418 3HZ LYS 47 3HZ LYS 47 -8.092 4.954 -14.269 419 H GLN 48 H GLN 48 -1.118 -0.318 -14.259 420 HA GLN 48 HA GLN 48 1.428 0.081 -13.283 421 1HB GLN 48 2HB GLN 48 2.285 -0.385 -15.624 422 2HB GLN 48 1HB GLN 48 1.283 -1.615 -14.881 423 1HG GLN 48 2HG GLN 48 -0.481 -1.154 -16.197 424 2HG GLN 48 1HG GLN 48 0.152 0.408 -16.785 425 1HE2 GLN 48 1HE2 GLN 48 0.168 -3.059 -17.160 426 2HE2 GLN 48 2HE2 GLN 48 1.204 -3.073 -18.534 427 H GLY 49 H GLY 49 2.844 1.592 -13.232 428 1HA GLY 49 2HA GLY 49 3.896 3.636 -13.859 429 2HA GLY 49 1HA GLY 49 2.499 4.014 -14.859 430 H GLU 50 H GLU 50 1.563 2.857 -11.882 431 HA GLU 50 HA GLU 50 0.293 5.250 -11.007 432 1HB GLU 50 2HB GLU 50 -0.356 2.845 -10.497 433 2HB GLU 50 1HB GLU 50 0.945 2.830 -9.327 434 1HG GLU 50 2HG GLU 50 -1.013 3.217 -8.100 435 2HG GLU 50 1HG GLU 50 -0.211 4.787 -8.240 436 H GLN 51 H GLN 51 3.147 3.605 -10.229 437 HA GLN 51 HA GLN 51 4.972 3.860 -8.986 438 1HB GLN 51 2HB GLN 51 4.908 6.261 -9.980 439 2HB GLN 51 1HB GLN 51 4.283 6.754 -8.417 440 1HG GLN 51 2HG GLN 51 6.615 7.159 -8.383 441 2HG GLN 51 1HG GLN 51 6.331 5.744 -7.374 442 1HE2 GLN 51 1HE2 GLN 51 8.799 6.584 -8.739 443 2HE2 GLN 51 2HE2 GLN 51 9.253 5.285 -9.745 444 H ILE 52 H ILE 52 4.865 2.736 -7.333 445 HA ILE 52 HA ILE 52 2.950 3.245 -5.175 446 HB ILE 52 HB ILE 52 4.435 0.694 -5.884 447 1HG1 ILE 52 2HG1 ILE 52 1.711 1.665 -6.805 448 2HG1 ILE 52 1HG1 ILE 52 3.117 1.223 -7.760 449 1HG2 ILE 52 1HG2 ILE 52 3.624 0.776 -3.579 450 2HG2 ILE 52 2HG2 ILE 52 2.712 -0.406 -4.520 451 3HG2 ILE 52 3HG2 ILE 52 2.002 1.165 -4.154 452 1HD1 ILE 52 1HD1 ILE 52 1.386 -0.470 -7.848 453 2HD1 ILE 52 2HD1 ILE 52 1.519 -0.687 -6.103 454 3HD1 ILE 52 3HD1 ILE 52 2.886 -1.077 -7.148 455 H GLU 53 H GLU 53 3.927 2.962 -3.005 456 HA GLU 53 HA GLU 53 6.881 3.150 -3.079 457 1HB GLU 53 2HB GLU 53 5.207 4.180 -0.818 458 2HB GLU 53 1HB GLU 53 6.842 4.504 -1.266 459 1HG GLU 53 2HG GLU 53 6.296 5.754 -3.195 460 2HG GLU 53 1HG GLU 53 4.584 5.401 -3.022 461 H ILE 54 H ILE 54 7.935 1.579 -2.134 462 HA ILE 54 HA ILE 54 6.365 -0.483 -0.829 463 HB ILE 54 HB ILE 54 8.029 -1.260 -2.498 464 1HG1 ILE 54 2HG1 ILE 54 9.317 -2.891 -1.071 465 2HG1 ILE 54 1HG1 ILE 54 8.667 -2.051 0.328 466 1HG2 ILE 54 1HG2 ILE 54 9.703 0.464 -2.311 467 2HG2 ILE 54 2HG2 ILE 54 10.424 -1.136 -2.109 468 3HG2 ILE 54 3HG2 ILE 54 10.138 -0.117 -0.707 469 1HD1 ILE 54 1HD1 ILE 54 7.073 -3.426 -1.798 470 2HD1 ILE 54 2HD1 ILE 54 6.427 -2.598 -0.376 471 3HD1 ILE 54 3HD1 ILE 54 7.424 -4.040 -0.184 472 H ILE 55 H ILE 55 6.091 -0.480 1.233 473 HA ILE 55 HA ILE 55 7.968 1.070 2.837 474 HB ILE 55 HB ILE 55 6.180 1.039 4.647 475 1HG1 ILE 55 2HG1 ILE 55 4.871 -0.751 3.256 476 2HG1 ILE 55 1HG1 ILE 55 3.944 0.395 4.182 477 1HG2 ILE 55 1HG2 ILE 55 5.005 2.970 3.684 478 2HG2 ILE 55 2HG2 ILE 55 5.692 2.575 2.105 479 3HG2 ILE 55 3HG2 ILE 55 6.751 3.034 3.438 480 1HD1 ILE 55 1HD1 ILE 55 3.694 1.747 2.111 481 2HD1 ILE 55 2HD1 ILE 55 3.000 0.125 1.977 482 3HD1 ILE 55 3HD1 ILE 55 4.567 0.489 1.240 483 H ARG 56 H ARG 56 6.424 -2.129 2.716 484 HA ARG 56 HA ARG 56 8.501 -2.825 4.613 485 1HB ARG 56 2HB ARG 56 6.125 -2.695 5.701 486 2HB ARG 56 1HB ARG 56 5.850 -4.194 4.831 487 1HG ARG 56 2HG ARG 56 6.616 -5.023 6.842 488 2HG ARG 56 1HG ARG 56 8.091 -4.938 5.903 489 1HD ARG 56 2HD ARG 56 7.174 -3.059 8.070 490 2HD ARG 56 1HD ARG 56 8.596 -4.072 8.038 491 HE ARG 56 HE ARG 56 8.589 -2.118 5.925 492 1HH1 ARG 56 1HH1 ARG 56 9.470 -2.587 9.338 493 2HH1 ARG 56 2HH1 ARG 56 10.611 -1.327 9.318 494 1HH2 ARG 56 1HH2 ARG 56 10.140 -0.473 5.904 495 2HH2 ARG 56 2HH2 ARG 56 11.076 -0.139 7.301 496 H ILE 57 H ILE 57 9.618 -4.418 4.093 497 HA ILE 57 HA ILE 57 8.644 -6.362 2.153 498 HB ILE 57 HB ILE 57 11.154 -6.645 1.527 499 1HG1 ILE 57 2HG1 ILE 57 11.940 -4.972 3.290 500 2HG1 ILE 57 1HG1 ILE 57 12.628 -4.794 1.682 501 1HG2 ILE 57 1HG2 ILE 57 10.995 -5.031 -0.290 502 2HG2 ILE 57 2HG2 ILE 57 9.596 -4.305 0.503 503 3HG2 ILE 57 3HG2 ILE 57 9.522 -5.972 -0.064 504 1HD1 ILE 57 1HD1 ILE 57 11.079 -2.961 1.228 505 2HD1 ILE 57 2HD1 ILE 57 12.050 -2.622 2.673 506 3HD1 ILE 57 3HD1 ILE 57 10.375 -3.166 2.825 507 H THR 58 H THR 58 10.515 -5.666 5.019 508 HA THR 58 HA THR 58 11.277 -8.411 5.337 509 HB THR 58 HB THR 58 12.252 -7.584 7.501 510 HG1 THR 58 1HG THR 58 11.616 -5.702 8.173 511 1HG2 THR 58 1HG2 THR 58 14.048 -6.308 6.423 512 2HG2 THR 58 2HG2 THR 58 13.018 -6.111 4.995 513 3HG2 THR 58 3HG2 THR 58 13.569 -7.718 5.466 514 H ASP 59 H ASP 59 10.526 -9.799 6.805 515 HA ASP 59 HA ASP 59 9.171 -10.853 8.163 516 1HB ASP 59 2HB ASP 59 9.709 -9.038 9.808 517 2HB ASP 59 1HB ASP 59 8.300 -8.146 9.243 518 H ASN 60 H ASN 60 8.459 -10.829 5.841 519 HA ASN 60 HA ASN 60 5.649 -10.114 5.658 520 1HB ASN 60 2HB ASN 60 5.819 -10.917 3.244 521 2HB ASN 60 1HB ASN 60 6.750 -9.491 3.645 522 1HD2 ASN 60 1HD2 ASN 60 8.036 -9.818 1.833 523 2HD2 ASN 60 2HD2 ASN 60 9.256 -11.048 1.775 524 HA PRO 61 HA PRO 61 4.734 -14.248 6.981 525 1HB PRO 61 2HB PRO 61 1.943 -13.418 6.601 526 2HB PRO 61 1HB PRO 61 2.762 -13.933 8.076 527 1HG PRO 61 2HG PRO 61 2.013 -11.382 7.678 528 2HG PRO 61 1HG PRO 61 3.479 -11.809 8.583 529 1HD PRO 61 2HD PRO 61 3.198 -10.856 5.759 530 2HD PRO 61 1HD PRO 61 4.409 -10.412 6.982 531 H GLU 62 H GLU 62 2.628 -12.763 4.540 532 HA GLU 62 HA GLU 62 2.014 -15.146 3.152 533 1HB GLU 62 2HB GLU 62 0.688 -13.083 3.023 534 2HB GLU 62 1HB GLU 62 2.009 -12.284 2.194 535 1HG GLU 62 2HG GLU 62 0.455 -12.848 0.538 536 2HG GLU 62 1HG GLU 62 1.762 -14.015 0.385 537 H GLY 63 H GLY 63 4.485 -12.679 2.716 538 1HA GLY 63 2HA GLY 63 6.662 -13.328 1.791 539 2HA GLY 63 1HA GLY 63 5.787 -14.351 0.649 540 H LYS 64 H LYS 64 3.759 -12.175 0.605 541 HA LYS 64 HA LYS 64 4.672 -10.757 -1.689 542 1HB LYS 64 2HB LYS 64 2.446 -9.961 -1.821 543 2HB LYS 64 1HB LYS 64 2.327 -11.626 -1.269 544 1HG LYS 64 2HG LYS 64 2.146 -10.616 1.061 545 2HG LYS 64 1HG LYS 64 1.851 -9.079 0.243 546 1HD LYS 64 2HD LYS 64 0.195 -11.599 0.179 547 2HD LYS 64 1HD LYS 64 -0.295 -9.982 0.672 548 1HE LYS 64 2HE LYS 64 -0.097 -9.225 -1.650 549 2HE LYS 64 1HE LYS 64 0.395 -10.846 -2.130 550 1HZ LYS 64 1HZ LYS 64 -2.266 -10.034 -1.064 551 2HZ LYS 64 2HZ LYS 64 -1.785 -11.647 -1.305 552 3HZ LYS 64 3HZ LYS 64 -1.881 -10.605 -2.605 553 H TRP 65 H TRP 65 4.353 -8.290 -1.736 554 HA TRP 65 HA TRP 65 5.950 -7.165 0.492 555 1HB TRP 65 2HB TRP 65 5.561 -6.469 -2.376 556 2HB TRP 65 1HB TRP 65 6.189 -5.254 -1.294 557 HD1 TRP 65 HD TRP 65 7.799 -8.003 0.176 558 HE1 TRP 65 1HE TRP 65 10.072 -8.585 -0.904 559 HE3 TRP 65 3HE TRP 65 7.297 -5.477 -4.270 560 HZ2 TRP 65 2HZ TRP 65 11.444 -8.050 -3.287 561 HZ3 TRP 65 3HZ TRP 65 9.136 -5.572 -5.867 562 HH2 TRP 65 HH TRP 65 11.165 -6.830 -5.394 563 H LEU 66 H LEU 66 5.522 -4.883 1.108 564 HA LEU 66 HA LEU 66 2.627 -4.332 1.068 565 1HB LEU 66 2HB LEU 66 3.588 -4.732 3.320 566 2HB LEU 66 1HB LEU 66 4.697 -3.393 3.059 567 HG LEU 66 HG LEU 66 2.808 -1.842 2.929 568 1HD1 LEU 66 1HD1 LEU 66 1.159 -4.233 3.687 569 2HD1 LEU 66 2HD1 LEU 66 1.104 -3.361 2.152 570 3HD1 LEU 66 3HD1 LEU 66 0.606 -2.557 3.643 571 1HD2 LEU 66 1HD2 LEU 66 2.888 -3.524 5.421 572 2HD2 LEU 66 2HD2 LEU 66 2.249 -1.884 5.299 573 3HD2 LEU 66 3HD2 LEU 66 3.967 -2.187 5.029 574 H GLY 67 H GLY 67 2.115 -2.762 -0.300 575 1HA GLY 67 2HA GLY 67 3.973 -0.512 -0.607 576 2HA GLY 67 1HA GLY 67 3.151 -1.245 -1.986 577 H ARG 68 H ARG 68 2.894 1.449 -1.313 578 HA ARG 68 HA ARG 68 0.040 1.549 -0.585 579 1HB ARG 68 2HB ARG 68 1.236 2.268 1.333 580 2HB ARG 68 1HB ARG 68 2.249 3.389 0.415 581 1HG ARG 68 2HG ARG 68 0.047 4.608 -0.079 582 2HG ARG 68 1HG ARG 68 -0.672 3.603 1.181 583 1HD ARG 68 2HD ARG 68 0.021 5.747 2.075 584 2HD ARG 68 1HD ARG 68 0.978 4.446 2.782 585 HE ARG 68 HE ARG 68 2.163 5.649 0.468 586 1HH1 ARG 68 1HH1 ARG 68 1.705 6.209 3.940 587 2HH1 ARG 68 2HH1 ARG 68 3.275 6.837 4.193 588 1HH2 ARG 68 1HH2 ARG 68 4.279 6.626 0.816 589 2HH2 ARG 68 2HH2 ARG 68 4.759 7.124 2.371 590 H THR 69 H THR 69 -1.112 3.168 -1.458 591 HA THR 69 HA THR 69 0.067 4.539 -3.795 592 HB THR 69 HB THR 69 -2.875 3.822 -3.375 593 HG1 THR 69 1HG THR 69 -0.737 2.341 -4.171 594 1HG2 THR 69 1HG2 THR 69 -1.344 4.616 -5.870 595 2HG2 THR 69 2HG2 THR 69 -2.430 5.673 -4.973 596 3HG2 THR 69 3HG2 THR 69 -3.066 4.245 -5.787 597 H ALA 70 H ALA 70 -1.149 6.716 -4.182 598 HA ALA 70 HA ALA 70 -0.433 8.372 -2.089 599 1HB ALA 70 1HB ALA 70 -0.490 8.989 -4.437 600 2HB ALA 70 2HB ALA 70 -1.301 10.164 -3.391 601 3HB ALA 70 3HB ALA 70 -2.252 9.038 -4.361 602 H ARG 71 H ARG 71 -3.456 6.799 -2.431 603 HA ARG 71 HA ARG 71 -4.910 8.773 -0.867 604 1HB ARG 71 2HB ARG 71 -5.895 7.316 -2.696 605 2HB ARG 71 1HB ARG 71 -5.713 5.948 -1.632 606 1HG ARG 71 2HG ARG 71 -7.469 8.359 -1.079 607 2HG ARG 71 1HG ARG 71 -8.040 6.879 -1.828 608 1HD ARG 71 2HD ARG 71 -6.919 7.157 0.965 609 2HD ARG 71 1HD ARG 71 -8.622 6.999 0.546 610 HE ARG 71 HE ARG 71 -6.986 4.835 -0.406 611 1HH1 ARG 71 1HH1 ARG 71 -8.824 6.026 2.380 612 2HH1 ARG 71 2HH1 ARG 71 -9.062 4.499 3.078 613 1HH2 ARG 71 1HH2 ARG 71 -7.235 2.764 0.500 614 2HH2 ARG 71 2HH2 ARG 71 -8.076 2.493 1.941 615 H GLY 72 H GLY 72 -2.965 6.023 -0.375 616 1HA GLY 72 2HA GLY 72 -2.098 5.269 1.622 617 2HA GLY 72 1HA GLY 72 -3.380 6.044 2.520 618 H SER 73 H SER 73 -2.387 3.285 0.731 619 HA SER 73 HA SER 73 -4.519 1.706 1.562 620 1HB SER 73 2HB SER 73 -3.838 2.045 -1.332 621 2HB SER 73 1HB SER 73 -5.132 1.066 -0.685 622 HG SER 73 HG SER 73 -5.352 3.525 -1.562 623 H TYR 74 H TYR 74 -3.365 0.171 2.038 624 HA TYR 74 HA TYR 74 -0.635 -0.152 1.029 625 1HB TYR 74 2HB TYR 74 -2.005 -0.563 3.526 626 2HB TYR 74 1HB TYR 74 -0.498 -1.490 3.282 627 HD1 TYR 74 1HD TYR 74 1.527 -0.352 3.937 628 HD2 TYR 74 2HD TYR 74 -2.042 1.904 3.535 629 HE1 TYR 74 1HE TYR 74 2.645 1.577 4.960 630 HE2 TYR 74 2HE TYR 74 -0.933 3.849 4.551 631 HH TYR 74 HH TYR 74 2.463 3.980 5.093 632 H GLY 75 H GLY 75 -1.430 -1.432 -0.676 633 1HA GLY 75 2HA GLY 75 -2.861 -3.782 0.155 634 2HA GLY 75 1HA GLY 75 -2.754 -3.128 -1.485 635 H TYR 76 H TYR 76 -1.335 -4.735 0.927 636 HA TYR 76 HA TYR 76 1.143 -5.536 0.250 637 1HB TYR 76 2HB TYR 76 -0.450 -7.931 0.725 638 2HB TYR 76 1HB TYR 76 0.747 -7.169 1.774 639 HD1 TYR 76 1HD TYR 76 -2.802 -7.320 0.893 640 HD2 TYR 76 2HD TYR 76 0.042 -5.643 3.577 641 HE1 TYR 76 1HE TYR 76 -4.628 -6.519 2.313 642 HE2 TYR 76 2HE TYR 76 -1.779 -4.857 4.996 643 HH TYR 76 HH TYR 76 -4.271 -4.227 4.575 644 H ILE 77 H ILE 77 1.734 -5.590 -1.792 645 HA ILE 77 HA ILE 77 0.240 -6.728 -3.911 646 HB ILE 77 HB ILE 77 2.340 -6.504 -5.121 647 1HG1 ILE 77 2HG1 ILE 77 3.830 -6.122 -3.142 648 2HG1 ILE 77 1HG1 ILE 77 4.089 -5.026 -4.487 649 1HG2 ILE 77 1HG2 ILE 77 0.424 -4.973 -5.414 650 2HG2 ILE 77 2HG2 ILE 77 1.890 -3.968 -5.429 651 3HG2 ILE 77 3HG2 ILE 77 0.904 -4.082 -3.975 652 1HD1 ILE 77 1HD1 ILE 77 4.258 -3.895 -2.358 653 2HD1 ILE 77 2HD1 ILE 77 2.620 -4.410 -1.941 654 3HD1 ILE 77 3HD1 ILE 77 2.880 -3.289 -3.280 655 H LYS 78 H LYS 78 0.647 -8.481 -5.039 656 HA LYS 78 HA LYS 78 2.606 -10.208 -4.016 657 1HB LYS 78 2HB LYS 78 2.062 -11.649 -5.903 658 2HB LYS 78 1HB LYS 78 0.547 -11.038 -5.259 659 1HG LYS 78 2HG LYS 78 0.469 -9.379 -7.042 660 2HG LYS 78 1HG LYS 78 2.046 -10.011 -7.567 661 1HD LYS 78 2HD LYS 78 0.208 -10.921 -8.976 662 2HD LYS 78 1HD LYS 78 0.992 -12.193 -8.042 663 1HE LYS 78 2HE LYS 78 -1.367 -12.550 -7.944 664 2HE LYS 78 1HE LYS 78 -0.833 -11.984 -6.365 665 1HZ LYS 78 1HZ LYS 78 -1.628 -9.744 -6.964 666 2HZ LYS 78 2HZ LYS 78 -2.858 -10.886 -7.010 667 3HZ LYS 78 3HZ LYS 78 -2.167 -10.342 -8.452 668 H THR 79 H THR 79 4.322 -9.743 -4.323 669 HA THR 79 HA THR 79 6.000 -7.845 -5.222 670 HB THR 79 HB THR 79 7.867 -9.475 -5.387 671 HG1 THR 79 1HG THR 79 7.435 -11.644 -5.347 672 1HG2 THR 79 1HG2 THR 79 7.077 -8.774 -3.176 673 2HG2 THR 79 2HG2 THR 79 7.605 -10.458 -3.151 674 3HG2 THR 79 3HG2 THR 79 5.883 -10.072 -3.187 675 H THR 80 H THR 80 4.960 -10.478 -7.218 676 HA THR 80 HA THR 80 6.452 -9.855 -9.544 677 HB THR 80 HB THR 80 5.687 -12.120 -9.113 678 HG1 THR 80 1HG THR 80 5.041 -12.673 -11.096 679 1HG2 THR 80 1HG2 THR 80 3.307 -12.751 -9.290 680 2HG2 THR 80 2HG2 THR 80 2.894 -11.040 -9.443 681 3HG2 THR 80 3HG2 THR 80 3.620 -11.635 -7.966 682 H ALA 81 H ALA 81 3.701 -8.230 -8.259 683 HA ALA 81 HA ALA 81 2.736 -7.402 -10.872 684 1HB ALA 81 1HB ALA 81 1.747 -6.703 -8.110 685 2HB ALA 81 2HB ALA 81 1.107 -7.989 -9.133 686 3HB ALA 81 3HB ALA 81 0.944 -6.301 -9.631 687 H VAL 82 H VAL 82 5.093 -6.451 -8.681 688 HA VAL 82 HA VAL 82 5.065 -3.763 -9.821 689 HB VAL 82 HB VAL 82 6.143 -2.905 -7.706 690 1HG1 VAL 82 1HG1 VAL 82 3.287 -3.869 -7.453 691 2HG1 VAL 82 2HG1 VAL 82 3.843 -2.360 -8.183 692 3HG1 VAL 82 3HG1 VAL 82 4.052 -2.624 -6.468 693 1HG2 VAL 82 1HG2 VAL 82 6.798 -5.031 -6.700 694 2HG2 VAL 82 2HG2 VAL 82 5.099 -5.490 -6.551 695 3HG2 VAL 82 3HG2 VAL 82 5.724 -4.139 -5.616 696 H GLU 83 H GLU 83 7.108 -2.698 -9.673 697 HA GLU 83 HA GLU 83 9.489 -4.418 -9.655 698 1HB GLU 83 2HB GLU 83 8.777 -2.273 -11.638 699 2HB GLU 83 1HB GLU 83 10.347 -3.072 -11.576 700 1HG GLU 83 2HG GLU 83 9.221 -5.200 -12.110 701 2HG GLU 83 1HG GLU 83 7.702 -4.331 -12.261 702 H ILE 84 H ILE 84 10.596 -3.538 -7.976 703 HA ILE 84 HA ILE 84 10.039 -0.828 -7.214 704 HB ILE 84 HB ILE 84 11.634 -0.983 -5.451 705 1HG1 ILE 84 2HG1 ILE 84 12.429 -3.744 -6.309 706 2HG1 ILE 84 1HG1 ILE 84 13.282 -2.324 -6.914 707 1HG2 ILE 84 1HG2 ILE 84 9.489 -2.012 -5.041 708 2HG2 ILE 84 2HG2 ILE 84 10.759 -2.907 -4.209 709 3HG2 ILE 84 3HG2 ILE 84 10.069 -3.541 -5.704 710 1HD1 ILE 84 1HD1 ILE 84 12.909 -3.075 -4.048 711 2HD1 ILE 84 2HD1 ILE 84 13.714 -1.631 -4.660 712 3HD1 ILE 84 3HD1 ILE 84 14.408 -3.229 -4.993 713 H ASP 85 H ASP 85 11.536 0.805 -6.929 714 HA ASP 85 HA ASP 85 13.496 1.029 -9.096 715 1HB ASP 85 2HB ASP 85 11.858 2.859 -8.858 716 2HB ASP 85 1HB ASP 85 12.301 3.062 -7.177 717 H TYR 86 H TYR 86 15.474 0.572 -8.615 718 HA TYR 86 HA TYR 86 16.240 -0.000 -5.896 719 1HB TYR 86 2HB TYR 86 17.846 -0.181 -8.460 720 2HB TYR 86 1HB TYR 86 18.384 -0.768 -6.892 721 HD1 TYR 86 1HD TYR 86 17.742 -2.932 -6.126 722 HD2 TYR 86 2HD TYR 86 15.815 -1.265 -9.532 723 HE1 TYR 86 1HE TYR 86 16.660 -5.098 -6.578 724 HE2 TYR 86 2HE TYR 86 14.735 -3.416 -9.990 725 HH TYR 86 HH TYR 86 14.880 -5.669 -9.532 726 H ASP 87 H ASP 87 18.410 0.758 -5.075 727 HA ASP 87 HA ASP 87 18.343 3.586 -4.774 728 1HB ASP 87 2HB ASP 87 20.497 1.587 -4.023 729 2HB ASP 87 1HB ASP 87 20.558 3.290 -3.602 730 H SER 88 H SER 88 20.417 1.406 -6.559 731 HA SER 88 HA SER 88 21.572 3.645 -7.988 732 1HB SER 88 2HB SER 88 23.132 1.696 -8.687 733 2HB SER 88 1HB SER 88 23.268 2.331 -7.042 734 HG SER 88 HG SER 88 23.154 -0.001 -7.264 735 H LEU 89 H LEU 89 21.363 3.657 -10.259 736 HA LEU 89 HA LEU 89 19.136 2.040 -11.179 737 1HB LEU 89 2HB LEU 89 19.163 4.576 -11.304 738 2HB LEU 89 1HB LEU 89 20.409 4.432 -12.515 739 HG LEU 89 HG LEU 89 17.612 3.312 -12.856 740 1HD1 LEU 89 1HD1 LEU 89 17.506 5.720 -12.571 741 2HD1 LEU 89 2HD1 LEU 89 17.184 5.278 -14.249 742 3HD1 LEU 89 3HD1 LEU 89 18.757 5.935 -13.796 743 1HD2 LEU 89 1HD2 LEU 89 18.174 3.301 -15.235 744 2HD2 LEU 89 2HD2 LEU 89 19.309 2.304 -14.322 745 3HD2 LEU 89 3HD2 LEU 89 19.789 3.912 -14.867 746 H LYS 90 H LYS 90 19.888 0.134 -11.811 747 HA LYS 90 HA LYS 90 21.720 0.058 -14.123 748 1HB LYS 90 2HB LYS 90 21.316 -2.160 -12.065 749 2HB LYS 90 1HB LYS 90 22.342 -2.241 -13.470 750 1HG LYS 90 2HG LYS 90 23.782 -2.051 -11.650 751 2HG LYS 90 1HG LYS 90 23.742 -0.431 -12.338 752 1HD LYS 90 2HD LYS 90 23.628 -0.435 -9.873 753 2HD LYS 90 1HD LYS 90 22.212 0.299 -10.618 754 1HE LYS 90 2HE LYS 90 21.613 -1.148 -8.709 755 2HE LYS 90 1HE LYS 90 20.908 -1.712 -10.217 756 1HZ LYS 90 1HZ LYS 90 23.416 -2.880 -9.093 757 2HZ LYS 90 2HZ LYS 90 22.372 -3.552 -10.267 758 3HZ LYS 90 3HZ LYS 90 21.878 -3.406 -8.689 759 H LEU 91 H LEU 91 21.131 -2.520 -14.869 760 HA LEU 91 HA LEU 91 18.216 -2.589 -14.997 761 1HB LEU 91 2HB LEU 91 20.305 -3.868 -16.774 762 2HB LEU 91 1HB LEU 91 18.586 -4.146 -16.914 763 HG LEU 91 HG LEU 91 20.008 -1.527 -17.411 764 1HD1 LEU 91 1HD1 LEU 91 18.672 -3.470 -19.284 765 2HD1 LEU 91 2HD1 LEU 91 20.408 -3.202 -19.131 766 3HD1 LEU 91 3HD1 LEU 91 19.367 -1.912 -19.732 767 1HD2 LEU 91 1HD2 LEU 91 17.099 -2.263 -17.727 768 2HD2 LEU 91 2HD2 LEU 91 17.840 -0.735 -18.205 769 3HD2 LEU 91 3HD2 LEU 91 17.763 -1.185 -16.500 770 H LYS 92 H LYS 92 17.279 -4.728 -14.683 771 HA LYS 92 HA LYS 92 19.025 -6.480 -13.085 772 1HB LYS 92 2HB LYS 92 17.015 -5.048 -12.014 773 2HB LYS 92 1HB LYS 92 16.047 -6.369 -12.641 774 1HG LYS 92 2HG LYS 92 18.376 -6.757 -10.754 775 2HG LYS 92 1HG LYS 92 16.713 -6.548 -10.219 776 1HD LYS 92 2HD LYS 92 16.056 -8.574 -11.320 777 2HD LYS 92 1HD LYS 92 17.637 -8.725 -12.083 778 1HE LYS 92 2HE LYS 92 17.103 -8.828 -9.123 779 2HE LYS 92 1HE LYS 92 17.360 -10.227 -10.162 780 1HZ LYS 92 1HZ LYS 92 19.351 -8.084 -9.557 781 2HZ LYS 92 2HZ LYS 92 19.552 -9.327 -10.699 782 3HZ LYS 92 3HZ LYS 92 19.375 -9.717 -9.087 783 H LYS 93 H LYS 93 18.262 -6.207 -15.868 784 HA LYS 93 HA LYS 93 17.968 -8.959 -16.509 785 1HB LYS 93 2HB LYS 93 15.578 -8.129 -16.475 786 2HB LYS 93 1HB LYS 93 16.034 -6.865 -17.606 787 1HG LYS 93 2HG LYS 93 16.545 -8.541 -19.298 788 2HG LYS 93 1HG LYS 93 16.146 -9.826 -18.159 789 1HD LYS 93 2HD LYS 93 14.282 -9.439 -19.671 790 2HD LYS 93 1HD LYS 93 13.840 -8.972 -18.031 791 1HE LYS 93 2HE LYS 93 14.265 -6.619 -18.598 792 2HE LYS 93 1HE LYS 93 14.692 -7.098 -20.242 793 1HZ LYS 93 1HZ LYS 93 12.370 -6.324 -20.094 794 2HZ LYS 93 2HZ LYS 93 12.044 -7.540 -18.969 795 3HZ LYS 93 3HZ LYS 93 12.467 -7.945 -20.543 796 H ASP 94 H ASP 94 18.921 -9.199 -18.612 797 HA ASP 94 HA ASP 94 20.215 -8.697 -20.398 798 1HB ASP 94 2HB ASP 94 19.509 -5.820 -19.803 799 2HB ASP 94 1HB ASP 94 20.726 -6.224 -21.004 800 H LEU 95 H LEU 95 20.877 -6.811 -17.557 801 HA LEU 95 HA LEU 95 23.697 -6.785 -17.933 802 1HB LEU 95 2HB LEU 95 22.618 -5.235 -16.373 803 2HB LEU 95 1HB LEU 95 22.056 -6.578 -15.398 804 HG LEU 95 HG LEU 95 24.396 -7.125 -14.835 805 1HD1 LEU 95 1HD1 LEU 95 25.052 -4.594 -16.327 806 2HD1 LEU 95 2HD1 LEU 95 25.489 -6.234 -16.808 807 3HD1 LEU 95 3HD1 LEU 95 26.175 -5.534 -15.342 808 1HD2 LEU 95 1HD2 LEU 95 23.073 -5.727 -13.353 809 2HD2 LEU 95 2HD2 LEU 95 23.575 -4.286 -14.242 810 3HD2 LEU 95 3HD2 LEU 95 24.764 -5.223 -13.338 811 H GLU 96 H GLU 96 21.882 -8.551 -15.465 812 HA GLU 96 HA GLU 96 23.388 -10.950 -16.147 813 1HB GLU 96 2HB GLU 96 22.638 -10.031 -13.352 814 2HB GLU 96 1HB GLU 96 23.394 -11.559 -13.755 815 1HG GLU 96 2HG GLU 96 25.334 -10.234 -14.649 816 2HG GLU 96 1HG GLU 96 24.580 -8.809 -13.931 Start of MODEL 12 1 1H GLU 1 1HT GLU 1 -5.520 23.795 -2.542 2 2H GLU 1 2HT GLU 1 -6.706 22.859 -3.338 3 3H GLU 1 3HT GLU 1 -5.213 22.174 -2.968 4 HA GLU 1 HA GLU 1 -5.672 22.256 -0.677 5 1HB GLU 1 2HB GLU 1 -8.270 23.490 -1.602 6 2HB GLU 1 1HB GLU 1 -8.045 22.797 -0.002 7 1HG GLU 1 2HG GLU 1 -6.586 25.141 -1.183 8 2HG GLU 1 1HG GLU 1 -7.763 25.165 0.137 9 H LYS 2 H LYS 2 -7.534 20.771 0.324 10 HA LYS 2 HA LYS 2 -8.146 18.784 -1.726 11 1HB LYS 2 2HB LYS 2 -7.692 17.016 -0.085 12 2HB LYS 2 1HB LYS 2 -6.256 17.976 -0.398 13 1HG LYS 2 2HG LYS 2 -6.596 19.180 1.696 14 2HG LYS 2 1HG LYS 2 -8.057 18.245 2.004 15 1HD LYS 2 2HD LYS 2 -6.722 16.187 2.025 16 2HD LYS 2 1HD LYS 2 -5.261 17.137 1.742 17 1HE LYS 2 2HE LYS 2 -5.463 16.594 4.099 18 2HE LYS 2 1HE LYS 2 -5.652 18.330 3.857 19 1HZ LYS 2 1HZ LYS 2 -7.280 17.431 5.417 20 2HZ LYS 2 2HZ LYS 2 -7.867 16.389 4.228 21 3HZ LYS 2 3HZ LYS 2 -8.066 18.043 4.050 22 H LYS 3 H LYS 3 -9.805 17.251 -0.874 23 HA LYS 3 HA LYS 3 -11.967 18.809 0.291 24 1HB LYS 3 2HB LYS 3 -12.253 17.501 -1.845 25 2HB LYS 3 1HB LYS 3 -11.968 16.033 -0.931 26 1HG LYS 3 2HG LYS 3 -13.989 16.463 0.378 27 2HG LYS 3 1HG LYS 3 -14.265 17.946 -0.536 28 1HD LYS 3 2HD LYS 3 -14.184 15.147 -1.672 29 2HD LYS 3 1HD LYS 3 -15.639 16.103 -1.390 30 1HE LYS 3 2HE LYS 3 -14.836 17.781 -3.006 31 2HE LYS 3 1HE LYS 3 -13.391 16.810 -3.286 32 1HZ LYS 3 1HZ LYS 3 -14.848 15.009 -4.068 33 2HZ LYS 3 2HZ LYS 3 -14.986 16.393 -5.018 34 3HZ LYS 3 3HZ LYS 3 -16.189 16.014 -3.883 35 H GLU 4 H GLU 4 -13.094 17.963 2.117 36 HA GLU 4 HA GLU 4 -11.414 16.724 4.079 37 1HB GLU 4 2HB GLU 4 -13.296 17.083 5.581 38 2HB GLU 4 1HB GLU 4 -12.970 18.523 4.625 39 1HG GLU 4 2HG GLU 4 -14.792 17.730 3.064 40 2HG GLU 4 1HG GLU 4 -15.208 16.555 4.311 41 H GLN 5 H GLN 5 -12.682 15.262 1.649 42 HA GLN 5 HA GLN 5 -14.202 13.128 2.772 43 1HB GLN 5 2HB GLN 5 -14.486 13.756 0.409 44 2HB GLN 5 1HB GLN 5 -12.805 13.382 0.088 45 1HG GLN 5 2HG GLN 5 -14.002 11.575 -0.766 46 2HG GLN 5 1HG GLN 5 -13.340 11.007 0.752 47 1HE2 GLN 5 1HE2 GLN 5 -15.569 12.560 2.223 48 2HE2 GLN 5 2HE2 GLN 5 -16.920 11.532 2.018 49 H LYS 6 H LYS 6 -12.949 12.429 4.423 50 HA LYS 6 HA LYS 6 -10.541 10.998 3.641 51 1HB LYS 6 2HB LYS 6 -10.010 10.986 6.176 52 2HB LYS 6 1HB LYS 6 -9.772 12.459 5.266 53 1HG LYS 6 2HG LYS 6 -10.704 13.032 7.381 54 2HG LYS 6 1HG LYS 6 -11.944 13.294 6.169 55 1HD LYS 6 2HD LYS 6 -13.042 11.222 6.825 56 2HD LYS 6 1HD LYS 6 -11.746 10.883 7.980 57 1HE LYS 6 2HE LYS 6 -12.313 12.950 9.195 58 2HE LYS 6 1HE LYS 6 -13.616 13.252 8.056 59 1HZ LYS 6 1HZ LYS 6 -14.336 12.224 10.179 60 2HZ LYS 6 2HZ LYS 6 -13.460 10.835 9.780 61 3HZ LYS 6 3HZ LYS 6 -14.766 11.311 8.835 62 H GLU 7 H GLU 7 -13.700 10.551 4.555 63 HA GLU 7 HA GLU 7 -13.198 7.837 5.420 64 1HB GLU 7 2HB GLU 7 -15.730 9.461 5.214 65 2HB GLU 7 1HB GLU 7 -15.690 7.771 5.705 66 1HG GLU 7 2HG GLU 7 -14.411 8.280 7.642 67 2HG GLU 7 1HG GLU 7 -14.170 9.941 7.110 68 H LYS 8 H LYS 8 -12.259 7.281 3.455 69 HA LYS 8 HA LYS 8 -14.169 6.834 1.265 70 1HB LYS 8 2HB LYS 8 -11.135 6.848 1.212 71 2HB LYS 8 1HB LYS 8 -12.168 6.533 -0.171 72 1HG LYS 8 2HG LYS 8 -13.050 8.815 -0.018 73 2HG LYS 8 1HG LYS 8 -11.996 9.118 1.364 74 1HD LYS 8 2HD LYS 8 -10.032 8.687 -0.047 75 2HD LYS 8 1HD LYS 8 -11.095 8.402 -1.430 76 1HE LYS 8 2HE LYS 8 -11.928 10.688 -1.259 77 2HE LYS 8 1HE LYS 8 -10.898 10.968 0.137 78 1HZ LYS 8 1HZ LYS 8 -9.942 10.360 -2.613 79 2HZ LYS 8 2HZ LYS 8 -8.961 10.672 -1.265 80 3HZ LYS 8 3HZ LYS 8 -9.967 11.881 -1.872 81 H GLU 9 H GLU 9 -11.269 5.397 2.705 82 HA GLU 9 HA GLU 9 -12.519 2.765 2.468 83 1HB GLU 9 2HB GLU 9 -9.613 3.568 2.735 84 2HB GLU 9 1HB GLU 9 -10.198 1.911 2.694 85 1HG GLU 9 2HG GLU 9 -10.411 3.932 0.480 86 2HG GLU 9 1HG GLU 9 -9.294 2.567 0.555 87 H LYS 10 H LYS 10 -11.127 1.425 4.362 88 HA LYS 10 HA LYS 10 -12.246 2.609 6.766 89 1HB LYS 10 2HB LYS 10 -12.671 0.223 6.045 90 2HB LYS 10 1HB LYS 10 -10.985 -0.113 6.404 91 1HG LYS 10 2HG LYS 10 -11.354 0.476 8.736 92 2HG LYS 10 1HG LYS 10 -13.040 0.850 8.378 93 1HD LYS 10 2HD LYS 10 -13.400 -1.460 7.690 94 2HD LYS 10 1HD LYS 10 -11.710 -1.825 8.050 95 1HE LYS 10 2HE LYS 10 -13.740 -0.826 10.032 96 2HE LYS 10 1HE LYS 10 -13.225 -2.504 9.861 97 1HZ LYS 10 1HZ LYS 10 -11.485 -0.215 10.652 98 2HZ LYS 10 2HZ LYS 10 -10.981 -1.827 10.438 99 3HZ LYS 10 3HZ LYS 10 -12.078 -1.443 11.654 100 H LYS 11 H LYS 11 -10.046 3.889 5.736 101 HA LYS 11 HA LYS 11 -8.003 4.728 6.094 102 1HB LYS 11 2HB LYS 11 -7.566 5.471 8.416 103 2HB LYS 11 1HB LYS 11 -9.193 5.810 7.877 104 1HG LYS 11 2HG LYS 11 -9.886 3.725 9.161 105 2HG LYS 11 1HG LYS 11 -8.269 3.764 9.873 106 1HD LYS 11 2HD LYS 11 -8.659 5.989 10.724 107 2HD LYS 11 1HD LYS 11 -10.227 6.050 9.919 108 1HE LYS 11 2HE LYS 11 -10.870 4.039 11.316 109 2HE LYS 11 1HE LYS 11 -9.394 4.328 12.243 110 1HZ LYS 11 1HZ LYS 11 -10.215 6.569 12.741 111 2HZ LYS 11 2HZ LYS 11 -11.360 5.415 13.252 112 3HZ LYS 11 3HZ LYS 11 -11.583 6.252 11.816 113 H GLU 12 H GLU 12 -7.971 1.971 5.690 114 HA GLU 12 HA GLU 12 -6.590 0.227 5.595 115 1HB GLU 12 2HB GLU 12 -4.581 2.421 6.114 116 2HB GLU 12 1HB GLU 12 -4.110 0.769 5.755 117 1HG GLU 12 2HG GLU 12 -3.965 2.135 3.767 118 2HG GLU 12 1HG GLU 12 -5.229 0.929 3.579 119 H GLN 13 H GLN 13 -7.884 0.378 7.989 120 HA GLN 13 HA GLN 13 -5.925 -0.065 10.048 121 1HB GLN 13 2HB GLN 13 -8.054 0.948 10.689 122 2HB GLN 13 1HB GLN 13 -8.914 -0.485 10.137 123 1HG GLN 13 2HG GLN 13 -7.904 -1.824 11.856 124 2HG GLN 13 1HG GLN 13 -6.878 -0.483 12.351 125 1HE2 GLN 13 1HE2 GLN 13 -7.750 1.174 13.477 126 2HE2 GLN 13 2HE2 GLN 13 -9.261 1.098 14.288 127 H GLU 14 H GLU 14 -7.708 -1.924 7.878 128 HA GLU 14 HA GLU 14 -7.641 -4.439 9.160 129 1HB GLU 14 2HB GLU 14 -8.183 -5.426 7.008 130 2HB GLU 14 1HB GLU 14 -9.086 -3.932 7.195 131 1HG GLU 14 2HG GLU 14 -7.359 -2.796 5.805 132 2HG GLU 14 1HG GLU 14 -6.620 -4.363 5.524 133 H ILE 15 H ILE 15 -5.307 -2.792 7.160 134 HA ILE 15 HA ILE 15 -3.812 -4.974 6.306 135 HB ILE 15 HB ILE 15 -2.271 -3.364 5.387 136 1HG1 ILE 15 2HG1 ILE 15 -3.148 -0.831 5.964 137 2HG1 ILE 15 1HG1 ILE 15 -3.403 -1.627 7.493 138 1HG2 ILE 15 1HG2 ILE 15 -3.860 -2.026 4.107 139 2HG2 ILE 15 2HG2 ILE 15 -5.130 -2.468 5.266 140 3HG2 ILE 15 3HG2 ILE 15 -4.354 -3.706 4.295 141 1HD1 ILE 15 1HD1 ILE 15 -0.768 -1.505 6.055 142 2HD1 ILE 15 2HD1 ILE 15 -1.070 -2.258 7.622 143 3HD1 ILE 15 3HD1 ILE 15 -1.247 -0.513 7.430 144 H LYS 16 H LYS 16 -3.751 -3.191 9.196 145 HA LYS 16 HA LYS 16 -1.142 -3.536 9.920 146 1HB LYS 16 2HB LYS 16 -3.564 -3.110 11.612 147 2HB LYS 16 1HB LYS 16 -2.056 -3.525 12.402 148 1HG LYS 16 2HG LYS 16 -2.247 -1.166 12.454 149 2HG LYS 16 1HG LYS 16 -1.014 -1.551 11.264 150 1HD LYS 16 2HD LYS 16 -2.785 -1.276 9.500 151 2HD LYS 16 1HD LYS 16 -3.856 -0.675 10.772 152 1HE LYS 16 2HE LYS 16 -2.182 1.071 11.304 153 2HE LYS 16 1HE LYS 16 -1.201 0.504 9.954 154 1HZ LYS 16 1HZ LYS 16 -3.770 1.952 9.896 155 2HZ LYS 16 2HZ LYS 16 -3.390 0.912 8.654 156 3HZ LYS 16 3HZ LYS 16 -2.362 2.206 8.962 157 H LYS 17 H LYS 17 -3.732 -5.626 10.898 158 HA LYS 17 HA LYS 17 -1.804 -7.571 11.858 159 1HB LYS 17 2HB LYS 17 -4.809 -7.782 11.681 160 2HB LYS 17 1HB LYS 17 -3.752 -8.950 12.461 161 1HG LYS 17 2HG LYS 17 -3.036 -7.205 14.050 162 2HG LYS 17 1HG LYS 17 -4.154 -6.078 13.281 163 1HD LYS 17 2HD LYS 17 -4.898 -8.661 14.663 164 2HD LYS 17 1HD LYS 17 -5.118 -7.038 15.315 165 1HE LYS 17 2HE LYS 17 -6.419 -8.095 12.803 166 2HE LYS 17 1HE LYS 17 -7.194 -8.009 14.383 167 1HZ LYS 17 1HZ LYS 17 -7.825 -6.169 12.998 168 2HZ LYS 17 2HZ LYS 17 -6.238 -5.686 12.776 169 3HZ LYS 17 3HZ LYS 17 -6.956 -5.592 14.308 170 H LYS 18 H LYS 18 -2.466 -6.813 8.900 171 HA LYS 18 HA LYS 18 -2.907 -9.487 7.813 172 1HB LYS 18 2HB LYS 18 -2.581 -6.817 6.444 173 2HB LYS 18 1HB LYS 18 -2.899 -8.336 5.620 174 1HG LYS 18 2HG LYS 18 -4.714 -7.166 7.695 175 2HG LYS 18 1HG LYS 18 -4.859 -6.827 5.981 176 1HD LYS 18 2HD LYS 18 -4.931 -9.598 7.151 177 2HD LYS 18 1HD LYS 18 -6.370 -8.631 6.798 178 1HE LYS 18 2HE LYS 18 -5.765 -8.463 4.528 179 2HE LYS 18 1HE LYS 18 -4.262 -9.333 4.761 180 1HZ LYS 18 1HZ LYS 18 -7.054 -10.331 4.890 181 2HZ LYS 18 2HZ LYS 18 -5.806 -11.196 5.625 182 3HZ LYS 18 3HZ LYS 18 -5.776 -10.976 3.957 183 H PHE 19 H PHE 19 -0.589 -6.829 7.261 184 HA PHE 19 HA PHE 19 1.327 -8.759 6.233 185 1HB PHE 19 2HB PHE 19 0.944 -6.384 5.218 186 2HB PHE 19 1HB PHE 19 1.831 -5.773 6.607 187 HD1 PHE 19 1HD PHE 19 4.197 -6.417 6.937 188 HD2 PHE 19 2HD PHE 19 2.090 -7.297 3.365 189 HE1 PHE 19 1HE PHE 19 6.322 -6.673 5.759 190 HE2 PHE 19 2HE PHE 19 4.217 -7.550 2.190 191 HZ PHE 19 HZ PHE 19 6.361 -7.214 3.398 192 H LYS 20 H LYS 20 0.543 -7.138 9.134 193 HA LYS 20 HA LYS 20 1.323 -7.141 11.195 194 1HB LYS 20 2HB LYS 20 1.697 -9.525 11.097 195 2HB LYS 20 1HB LYS 20 3.153 -9.314 10.148 196 1HG LYS 20 2HG LYS 20 4.193 -8.234 12.147 197 2HG LYS 20 1HG LYS 20 2.751 -8.691 13.061 198 1HD LYS 20 2HD LYS 20 3.157 -11.002 12.724 199 2HD LYS 20 1HD LYS 20 4.390 -10.671 11.506 200 1HE LYS 20 2HE LYS 20 4.572 -9.989 14.432 201 2HE LYS 20 1HE LYS 20 5.360 -11.354 13.648 202 1HZ LYS 20 1HZ LYS 20 5.889 -8.465 13.113 203 2HZ LYS 20 2HZ LYS 20 6.583 -9.708 12.238 204 3HZ LYS 20 3HZ LYS 20 6.898 -9.555 13.899 205 H LEU 21 H LEU 21 1.827 -5.066 10.996 206 HA LEU 21 HA LEU 21 4.591 -4.457 10.301 207 1HB LEU 21 2HB LEU 21 2.457 -2.352 10.776 208 2HB LEU 21 1HB LEU 21 3.987 -2.208 10.028 209 HG LEU 21 HG LEU 21 2.573 -2.075 8.210 210 1HD1 LEU 21 1HD1 LEU 21 3.048 -4.018 6.860 211 2HD1 LEU 21 2HD1 LEU 21 3.534 -4.871 8.324 212 3HD1 LEU 21 3HD1 LEU 21 4.441 -3.455 7.796 213 1HD2 LEU 21 1HD2 LEU 21 1.025 -4.561 9.084 214 2HD2 LEU 21 2HD2 LEU 21 0.824 -3.709 7.580 215 3HD2 LEU 21 3HD2 LEU 21 0.402 -2.906 9.066 216 H THR 22 H THR 22 2.207 -3.338 12.581 217 HA THR 22 HA THR 22 2.441 -2.231 14.496 218 HB THR 22 HB THR 22 1.685 -4.319 15.268 219 HG1 THR 22 1HG THR 22 3.580 -4.395 17.166 220 1HG2 THR 22 1HG2 THR 22 4.534 -5.349 15.252 221 2HG2 THR 22 2HG2 THR 22 3.254 -5.819 14.137 222 3HG2 THR 22 3HG2 THR 22 3.131 -6.237 15.845 223 H GLY 23 H GLY 23 3.848 -0.659 13.916 224 1HA GLY 23 2HA GLY 23 5.665 0.136 15.667 225 2HA GLY 23 1HA GLY 23 6.620 -0.956 14.665 226 HA PRO 24 HA PRO 24 6.283 3.384 12.773 227 1HB PRO 24 2HB PRO 24 9.169 3.524 13.322 228 2HB PRO 24 1HB PRO 24 7.904 4.710 13.663 229 1HG PRO 24 2HG PRO 24 9.094 3.303 15.611 230 2HG PRO 24 1HG PRO 24 7.386 3.770 15.697 231 1HD PRO 24 2HD PRO 24 8.584 1.115 14.989 232 2HD PRO 24 1HD PRO 24 7.138 1.514 15.949 233 H ILE 25 H ILE 25 6.529 3.454 10.739 234 HA ILE 25 HA ILE 25 8.768 2.203 9.402 235 HB ILE 25 HB ILE 25 7.049 0.387 9.573 236 1HG1 ILE 25 2HG1 ILE 25 7.055 -0.264 7.178 237 2HG1 ILE 25 1HG1 ILE 25 7.605 1.359 6.767 238 1HG2 ILE 25 1HG2 ILE 25 5.009 0.475 8.226 239 2HG2 ILE 25 2HG2 ILE 25 5.341 2.167 7.854 240 3HG2 ILE 25 3HG2 ILE 25 5.020 1.678 9.516 241 1HD1 ILE 25 1HD1 ILE 25 9.097 -0.629 8.472 242 2HD1 ILE 25 2HD1 ILE 25 9.653 0.990 8.048 243 3HD1 ILE 25 3HD1 ILE 25 9.452 -0.230 6.791 244 H GLN 26 H GLN 26 9.183 3.093 7.364 245 HA GLN 26 HA GLN 26 7.428 5.293 6.535 246 1HB GLN 26 2HB GLN 26 9.296 6.716 6.112 247 2HB GLN 26 1HB GLN 26 9.547 6.081 7.730 248 1HG GLN 26 2HG GLN 26 11.190 4.510 6.904 249 2HG GLN 26 1HG GLN 26 10.862 4.997 5.244 250 1HE2 GLN 26 1HE2 GLN 26 13.370 5.025 6.532 251 2HE2 GLN 26 2HE2 GLN 26 13.924 6.659 6.569 252 H VAL 27 H VAL 27 8.111 5.912 4.213 253 HA VAL 27 HA VAL 27 8.135 3.599 2.568 254 HB VAL 27 HB VAL 27 8.520 6.512 1.930 255 1HG1 VAL 27 1HG1 VAL 27 8.399 4.224 -0.051 256 2HG1 VAL 27 2HG1 VAL 27 9.818 5.219 0.270 257 3HG1 VAL 27 3HG1 VAL 27 8.382 5.939 -0.462 258 1HG2 VAL 27 1HG2 VAL 27 6.325 5.799 2.552 259 2HG2 VAL 27 2HG2 VAL 27 6.419 4.509 1.337 260 3HG2 VAL 27 3HG2 VAL 27 6.389 6.197 0.820 261 H ILE 28 H ILE 28 9.630 2.597 1.745 262 HA ILE 28 HA ILE 28 12.384 3.183 2.514 263 HB ILE 28 HB ILE 28 11.205 0.663 1.314 264 1HG1 ILE 28 2HG1 ILE 28 10.239 1.067 3.515 265 2HG1 ILE 28 1HG1 ILE 28 11.348 -0.291 3.584 266 1HG2 ILE 28 1HG2 ILE 28 13.564 0.828 0.873 267 2HG2 ILE 28 2HG2 ILE 28 13.256 -0.434 2.067 268 3HG2 ILE 28 3HG2 ILE 28 13.896 1.132 2.578 269 1HD1 ILE 28 1HD1 ILE 28 11.921 2.514 4.523 270 2HD1 ILE 28 2HD1 ILE 28 13.037 1.152 4.610 271 3HD1 ILE 28 3HD1 ILE 28 11.542 1.129 5.547 272 H HIS 29 H HIS 29 10.295 2.919 -0.327 273 HA HIS 29 HA HIS 29 12.280 3.917 -2.131 274 1HB HIS 29 2HB HIS 29 11.628 0.981 -2.301 275 2HB HIS 29 1HB HIS 29 12.156 1.880 -3.701 276 HD1 HIS 29 1HD HIS 29 13.364 -0.328 -1.165 277 HD2 HIS 29 2HD HIS 29 14.942 3.066 -2.980 278 HE1 HIS 29 1HE HIS 29 15.828 -0.450 -0.805 279 HE2 HIS 29 2HE HIS 29 16.746 1.385 -2.222 280 H LEU 30 H LEU 30 11.459 3.597 -4.444 281 HA LEU 30 HA LEU 30 8.551 3.968 -4.387 282 1HB LEU 30 2HB LEU 30 10.555 5.202 -6.302 283 2HB LEU 30 1HB LEU 30 8.819 5.380 -6.386 284 HG LEU 30 HG LEU 30 9.648 7.397 -5.554 285 1HD1 LEU 30 1HD1 LEU 30 7.663 6.723 -4.466 286 2HD1 LEU 30 2HD1 LEU 30 8.686 7.605 -3.336 287 3HD1 LEU 30 3HD1 LEU 30 8.574 5.849 -3.239 288 1HD2 LEU 30 1HD2 LEU 30 11.084 7.631 -3.570 289 2HD2 LEU 30 2HD2 LEU 30 11.881 6.740 -4.868 290 3HD2 LEU 30 3HD2 LEU 30 11.225 5.874 -3.479 291 H ALA 31 H ALA 31 7.575 2.401 -5.280 292 HA ALA 31 HA ALA 31 8.883 0.700 -7.280 293 1HB ALA 31 1HB ALA 31 7.133 -0.910 -6.908 294 2HB ALA 31 2HB ALA 31 6.286 0.198 -5.837 295 3HB ALA 31 3HB ALA 31 7.864 -0.467 -5.366 296 H LYS 32 H LYS 32 7.840 0.063 -9.105 297 HA LYS 32 HA LYS 32 5.918 1.995 -10.211 298 1HB LYS 32 2HB LYS 32 8.091 1.800 -11.389 299 2HB LYS 32 1HB LYS 32 7.842 0.071 -11.551 300 1HG LYS 32 2HG LYS 32 6.033 0.410 -13.092 301 2HG LYS 32 1HG LYS 32 6.052 2.153 -12.806 302 1HD LYS 32 2HD LYS 32 7.189 1.703 -14.889 303 2HD LYS 32 1HD LYS 32 8.367 2.234 -13.693 304 1HE LYS 32 2HE LYS 32 9.452 0.439 -14.682 305 2HE LYS 32 1HE LYS 32 8.709 -0.307 -13.272 306 1HZ LYS 32 1HZ LYS 32 6.801 -0.891 -14.881 307 2HZ LYS 32 2HZ LYS 32 8.228 -1.753 -15.020 308 3HZ LYS 32 3HZ LYS 32 7.898 -0.492 -16.100 309 H ALA 33 H ALA 33 3.891 1.274 -10.339 310 HA ALA 33 HA ALA 33 3.189 -1.413 -9.917 311 1HB ALA 33 1HB ALA 33 0.994 -0.771 -10.728 312 2HB ALA 33 2HB ALA 33 1.630 0.753 -11.318 313 3HB ALA 33 3HB ALA 33 1.597 0.412 -9.578 314 H CYS 34 H CYS 34 3.871 -2.904 -11.185 315 HA CYS 34 HA CYS 34 4.465 -2.394 -13.967 316 1HB CYS 34 2HB CYS 34 6.014 -3.601 -12.407 317 2HB CYS 34 1HB CYS 34 4.837 -4.898 -12.311 318 HG CYS 34 HG CYS 34 7.182 -4.280 -14.508 319 H CYS 35 H CYS 35 1.796 -3.409 -12.210 320 HA CYS 35 HA CYS 35 0.601 -4.563 -14.585 321 1HB CYS 35 2HB CYS 35 1.486 -6.467 -13.277 322 2HB CYS 35 1HB CYS 35 0.584 -5.909 -11.874 323 HG CYS 35 HG CYS 35 -1.254 -6.415 -14.606 324 H ASP 36 H ASP 36 -1.335 -3.703 -14.847 325 HA ASP 36 HA ASP 36 -2.606 -2.214 -12.752 326 1HB ASP 36 2HB ASP 36 -4.441 -1.749 -14.353 327 2HB ASP 36 1HB ASP 36 -2.887 -1.419 -15.087 328 H VAL 37 H VAL 37 -3.246 -3.290 -11.178 329 HA VAL 37 HA VAL 37 -4.785 -5.768 -11.598 330 HB VAL 37 HB VAL 37 -2.537 -5.998 -10.472 331 1HG1 VAL 37 1HG1 VAL 37 -3.896 -4.528 -8.269 332 2HG1 VAL 37 2HG1 VAL 37 -2.516 -3.993 -9.225 333 3HG1 VAL 37 3HG1 VAL 37 -2.354 -5.372 -8.130 334 1HG2 VAL 37 1HG2 VAL 37 -3.290 -7.507 -8.694 335 2HG2 VAL 37 2HG2 VAL 37 -4.198 -7.737 -10.189 336 3HG2 VAL 37 3HG2 VAL 37 -4.920 -6.853 -8.839 337 H LYS 38 H LYS 38 -6.420 -6.185 -9.850 338 HA LYS 38 HA LYS 38 -7.518 -3.663 -8.844 339 1HB LYS 38 2HB LYS 38 -9.767 -4.388 -9.362 340 2HB LYS 38 1HB LYS 38 -8.792 -4.449 -10.809 341 1HG LYS 38 2HG LYS 38 -9.541 -6.831 -9.129 342 2HG LYS 38 1HG LYS 38 -10.409 -6.331 -10.581 343 1HD LYS 38 2HD LYS 38 -8.239 -6.673 -11.823 344 2HD LYS 38 1HD LYS 38 -7.585 -7.366 -10.339 345 1HE LYS 38 2HE LYS 38 -8.309 -9.175 -11.705 346 2HE LYS 38 1HE LYS 38 -9.471 -9.017 -10.389 347 1HZ LYS 38 1HZ LYS 38 -10.591 -9.358 -12.501 348 2HZ LYS 38 2HZ LYS 38 -9.785 -8.036 -13.158 349 3HZ LYS 38 3HZ LYS 38 -10.940 -7.776 -11.981 350 H GLY 39 H GLY 39 -5.841 -5.696 -7.516 351 1HA GLY 39 2HA GLY 39 -5.909 -6.238 -5.192 352 2HA GLY 39 1HA GLY 39 -7.669 -6.271 -5.268 353 H GLY 40 H GLY 40 -4.897 -7.864 -6.730 354 1HA GLY 40 2HA GLY 40 -6.383 -10.236 -7.382 355 2HA GLY 40 1HA GLY 40 -4.657 -9.994 -7.594 356 H LYS 41 H LYS 41 -7.157 -11.028 -5.498 357 HA LYS 41 HA LYS 41 -7.314 -12.328 -3.698 358 1HB LYS 41 2HB LYS 41 -5.975 -13.930 -5.076 359 2HB LYS 41 1HB LYS 41 -4.506 -13.266 -4.388 360 1HG LYS 41 2HG LYS 41 -5.186 -14.059 -2.174 361 2HG LYS 41 1HG LYS 41 -6.670 -14.718 -2.866 362 1HD LYS 41 2HD LYS 41 -5.321 -16.176 -4.318 363 2HD LYS 41 1HD LYS 41 -3.854 -15.528 -3.584 364 1HE LYS 41 2HE LYS 41 -4.563 -16.386 -1.408 365 2HE LYS 41 1HE LYS 41 -6.038 -17.021 -2.136 366 1HZ LYS 41 1HZ LYS 41 -4.661 -18.469 -3.532 367 2HZ LYS 41 2HZ LYS 41 -4.409 -18.760 -1.909 368 3HZ LYS 41 3HZ LYS 41 -3.260 -17.891 -2.771 369 H ASN 42 H ASN 42 -7.391 -10.344 -2.652 370 HA ASN 42 HA ASN 42 -6.921 -8.784 -1.121 371 1HB ASN 42 2HB ASN 42 -5.228 -10.996 0.070 372 2HB ASN 42 1HB ASN 42 -5.418 -9.428 0.841 373 1HD2 ASN 42 1HD2 ASN 42 -7.454 -8.864 1.739 374 2HD2 ASN 42 2HD2 ASN 42 -8.634 -10.081 2.042 375 H GLU 43 H GLU 43 -6.049 -7.475 -2.693 376 HA GLU 43 HA GLU 43 -3.265 -6.955 -2.160 377 1HB GLU 43 2HB GLU 43 -3.630 -8.551 -4.155 378 2HB GLU 43 1HB GLU 43 -4.251 -7.147 -4.968 379 1HG GLU 43 2HG GLU 43 -2.237 -6.118 -5.129 380 2HG GLU 43 1HG GLU 43 -1.577 -6.937 -3.708 381 H LEU 44 H LEU 44 -2.745 -4.977 -3.737 382 HA LEU 44 HA LEU 44 -4.591 -2.856 -2.958 383 1HB LEU 44 2HB LEU 44 -1.944 -3.083 -2.784 384 2HB LEU 44 1HB LEU 44 -2.013 -2.548 -4.436 385 HG LEU 44 HG LEU 44 -2.979 -0.984 -2.037 386 1HD1 LEU 44 1HD1 LEU 44 -0.627 -1.248 -2.141 387 2HD1 LEU 44 2HD1 LEU 44 -1.113 0.420 -2.553 388 3HD1 LEU 44 3HD1 LEU 44 -0.636 -0.716 -3.834 389 1HD2 LEU 44 1HD2 LEU 44 -2.691 -0.134 -4.897 390 2HD2 LEU 44 2HD2 LEU 44 -3.124 0.891 -3.527 391 3HD2 LEU 44 3HD2 LEU 44 -4.226 -0.386 -4.056 392 H SER 45 H SER 45 -5.458 -1.512 -4.543 393 HA SER 45 HA SER 45 -5.388 -2.629 -7.204 394 1HB SER 45 2HB SER 45 -7.281 -0.537 -6.099 395 2HB SER 45 1HB SER 45 -7.413 -1.315 -7.677 396 HG SER 45 HG SER 45 -7.553 -2.563 -5.146 397 H PHE 46 H PHE 46 -4.101 -1.792 -8.632 398 HA PHE 46 HA PHE 46 -3.608 1.029 -8.710 399 1HB PHE 46 2HB PHE 46 -1.086 0.568 -8.929 400 2HB PHE 46 1HB PHE 46 -1.777 0.528 -7.305 401 HD1 PHE 46 1HD PHE 46 -1.813 -1.533 -6.073 402 HD2 PHE 46 2HD PHE 46 -0.358 -1.420 -10.051 403 HE1 PHE 46 1HE PHE 46 -0.791 -3.738 -5.759 404 HE2 PHE 46 2HE PHE 46 0.667 -3.625 -9.749 405 HZ PHE 46 HZ PHE 46 0.454 -4.789 -7.617 406 H LYS 47 H LYS 47 -2.318 1.597 -10.646 407 HA LYS 47 HA LYS 47 -3.186 -0.136 -12.864 408 1HB LYS 47 2HB LYS 47 -2.763 2.856 -12.914 409 2HB LYS 47 1HB LYS 47 -3.482 1.864 -14.163 410 1HG LYS 47 2HG LYS 47 -4.712 2.000 -11.501 411 2HG LYS 47 1HG LYS 47 -4.966 3.369 -12.599 412 1HD LYS 47 2HD LYS 47 -6.855 1.924 -12.806 413 2HD LYS 47 1HD LYS 47 -5.874 1.641 -14.236 414 1HE LYS 47 2HE LYS 47 -5.014 -0.408 -13.250 415 2HE LYS 47 1HE LYS 47 -5.914 -0.092 -11.766 416 1HZ LYS 47 1HZ LYS 47 -7.105 -1.663 -13.244 417 2HZ LYS 47 2HZ LYS 47 -7.110 -0.501 -14.447 418 3HZ LYS 47 3HZ LYS 47 -7.960 -0.221 -13.012 419 H GLN 48 H GLN 48 -1.731 -0.160 -14.538 420 HA GLN 48 HA GLN 48 0.991 -0.297 -13.954 421 1HB GLN 48 2HB GLN 48 -0.301 0.195 -16.646 422 2HB GLN 48 1HB GLN 48 1.397 -0.178 -16.419 423 1HG GLN 48 2HG GLN 48 0.842 -2.324 -15.475 424 2HG GLN 48 1HG GLN 48 -0.873 -1.962 -15.635 425 1HE2 GLN 48 1HE2 GLN 48 -0.599 -0.684 -18.218 426 2HE2 GLN 48 2HE2 GLN 48 -0.294 -1.956 -19.352 427 H GLY 49 H GLY 49 2.516 1.129 -13.655 428 1HA GLY 49 2HA GLY 49 3.776 3.069 -13.805 429 2HA GLY 49 1HA GLY 49 2.663 3.640 -15.032 430 H GLU 50 H GLU 50 1.277 2.750 -11.995 431 HA GLU 50 HA GLU 50 0.466 5.452 -11.514 432 1HB GLU 50 2HB GLU 50 0.041 2.905 -10.036 433 2HB GLU 50 1HB GLU 50 -0.349 4.435 -9.262 434 1HG GLU 50 2HG GLU 50 -1.445 3.450 -11.872 435 2HG GLU 50 1HG GLU 50 -2.282 3.436 -10.319 436 H GLN 51 H GLN 51 2.925 3.494 -10.364 437 HA GLN 51 HA GLN 51 4.758 3.789 -9.085 438 1HB GLN 51 2HB GLN 51 4.948 6.090 -10.105 439 2HB GLN 51 1HB GLN 51 3.949 6.715 -8.809 440 1HG GLN 51 2HG GLN 51 6.375 5.278 -7.956 441 2HG GLN 51 1HG GLN 51 6.653 6.761 -8.854 442 1HE2 GLN 51 1HE2 GLN 51 3.878 6.349 -6.695 443 2HE2 GLN 51 2HE2 GLN 51 4.434 7.434 -5.492 444 H ILE 52 H ILE 52 4.920 2.954 -7.264 445 HA ILE 52 HA ILE 52 2.829 3.353 -5.225 446 HB ILE 52 HB ILE 52 4.397 0.841 -5.876 447 1HG1 ILE 52 2HG1 ILE 52 1.649 1.691 -6.823 448 2HG1 ILE 52 1HG1 ILE 52 3.071 1.229 -7.749 449 1HG2 ILE 52 1HG2 ILE 52 2.739 -0.322 -4.498 450 2HG2 ILE 52 2HG2 ILE 52 1.978 1.222 -4.119 451 3HG2 ILE 52 3HG2 ILE 52 3.624 0.896 -3.579 452 1HD1 ILE 52 1HD1 ILE 52 1.493 -0.632 -6.016 453 2HD1 ILE 52 2HD1 ILE 52 2.876 -1.043 -7.030 454 3HD1 ILE 52 3HD1 ILE 52 1.368 -0.502 -7.770 455 H GLU 53 H GLU 53 3.751 3.237 -3.062 456 HA GLU 53 HA GLU 53 6.685 3.348 -3.097 457 1HB GLU 53 2HB GLU 53 4.961 4.406 -0.853 458 2HB GLU 53 1HB GLU 53 6.675 4.574 -1.144 459 1HG GLU 53 2HG GLU 53 6.365 5.970 -3.029 460 2HG GLU 53 1HG GLU 53 4.619 5.762 -2.972 461 H ILE 54 H ILE 54 7.811 2.031 -1.784 462 HA ILE 54 HA ILE 54 6.254 -0.169 -0.646 463 HB ILE 54 HB ILE 54 8.042 -0.842 -2.213 464 1HG1 ILE 54 2HG1 ILE 54 9.336 -2.395 -0.736 465 2HG1 ILE 54 1HG1 ILE 54 8.581 -1.600 0.640 466 1HG2 ILE 54 1HG2 ILE 54 9.594 0.973 -1.927 467 2HG2 ILE 54 2HG2 ILE 54 10.397 -0.579 -1.670 468 3HG2 ILE 54 3HG2 ILE 54 9.955 0.421 -0.293 469 1HD1 ILE 54 1HD1 ILE 54 7.161 -3.062 -1.552 470 2HD1 ILE 54 2HD1 ILE 54 6.407 -2.278 -0.158 471 3HD1 ILE 54 3HD1 ILE 54 7.481 -3.656 0.077 472 H ILE 55 H ILE 55 6.001 -0.374 1.433 473 HA ILE 55 HA ILE 55 7.674 1.280 3.147 474 HB ILE 55 HB ILE 55 5.824 0.848 4.934 475 1HG1 ILE 55 2HG1 ILE 55 4.537 -0.697 3.332 476 2HG1 ILE 55 1HG1 ILE 55 3.578 0.462 4.223 477 1HG2 ILE 55 1HG2 ILE 55 4.659 2.902 4.303 478 2HG2 ILE 55 2HG2 ILE 55 5.454 2.839 2.731 479 3HG2 ILE 55 3HG2 ILE 55 6.415 3.027 4.200 480 1HD1 ILE 55 1HD1 ILE 55 2.844 0.306 1.921 481 2HD1 ILE 55 2HD1 ILE 55 4.470 0.691 1.352 482 3HD1 ILE 55 3HD1 ILE 55 3.532 1.903 2.220 483 H ARG 56 H ARG 56 6.251 -2.002 3.023 484 HA ARG 56 HA ARG 56 8.512 -2.661 4.715 485 1HB ARG 56 2HB ARG 56 6.368 -2.623 6.170 486 2HB ARG 56 1HB ARG 56 5.803 -3.884 5.127 487 1HG ARG 56 2HG ARG 56 7.172 -5.433 5.845 488 2HG ARG 56 1HG ARG 56 8.421 -4.327 6.469 489 1HD ARG 56 2HD ARG 56 6.879 -3.728 8.296 490 2HD ARG 56 1HD ARG 56 5.669 -4.784 7.566 491 HE ARG 56 HE ARG 56 7.285 -6.624 8.020 492 1HH1 ARG 56 1HH1 ARG 56 7.356 -3.683 10.048 493 2HH1 ARG 56 2HH1 ARG 56 7.748 -4.504 11.460 494 1HH2 ARG 56 1HH2 ARG 56 7.747 -7.749 10.043 495 2HH2 ARG 56 2HH2 ARG 56 8.008 -6.870 11.462 496 H ILE 57 H ILE 57 9.600 -4.345 4.225 497 HA ILE 57 HA ILE 57 8.658 -6.098 2.079 498 HB ILE 57 HB ILE 57 11.157 -6.299 1.433 499 1HG1 ILE 57 2HG1 ILE 57 11.979 -4.857 3.357 500 2HG1 ILE 57 1HG1 ILE 57 12.625 -4.454 1.770 501 1HG2 ILE 57 1HG2 ILE 57 11.007 -4.487 -0.188 502 2HG2 ILE 57 2HG2 ILE 57 9.600 -3.864 0.676 503 3HG2 ILE 57 3HG2 ILE 57 9.539 -5.457 -0.075 504 1HD1 ILE 57 1HD1 ILE 57 12.051 -2.428 3.039 505 2HD1 ILE 57 2HD1 ILE 57 10.395 -3.035 3.195 506 3HD1 ILE 57 3HD1 ILE 57 11.008 -2.608 1.609 507 H THR 58 H THR 58 10.523 -5.819 5.061 508 HA THR 58 HA THR 58 11.025 -8.666 4.841 509 HB THR 58 HB THR 58 12.554 -8.278 6.845 510 HG1 THR 58 1HG THR 58 13.035 -6.298 7.407 511 1HG2 THR 58 1HG2 THR 58 13.191 -6.963 4.210 512 2HG2 THR 58 2HG2 THR 58 13.345 -8.679 4.585 513 3HG2 THR 58 3HG2 THR 58 14.379 -7.503 5.406 514 H ASP 59 H ASP 59 10.699 -10.045 6.534 515 HA ASP 59 HA ASP 59 9.342 -11.123 7.895 516 1HB ASP 59 2HB ASP 59 10.203 -9.554 9.642 517 2HB ASP 59 1HB ASP 59 8.899 -8.439 9.265 518 H ASN 60 H ASN 60 8.262 -11.308 5.943 519 HA ASN 60 HA ASN 60 5.605 -10.060 5.932 520 1HB ASN 60 2HB ASN 60 5.548 -10.615 3.474 521 2HB ASN 60 1HB ASN 60 6.765 -9.428 3.915 522 1HD2 ASN 60 1HD2 ASN 60 8.907 -9.891 3.525 523 2HD2 ASN 60 2HD2 ASN 60 9.432 -11.334 2.731 524 HA PRO 61 HA PRO 61 4.004 -14.083 6.790 525 1HB PRO 61 2HB PRO 61 1.427 -13.190 5.736 526 2HB PRO 61 1HB PRO 61 1.877 -13.589 7.398 527 1HG PRO 61 2HG PRO 61 1.375 -11.060 6.626 528 2HG PRO 61 1HG PRO 61 2.588 -11.448 7.861 529 1HD PRO 61 2HD PRO 61 2.986 -10.806 4.959 530 2HD PRO 61 1HD PRO 61 3.892 -10.224 6.375 531 H GLU 62 H GLU 62 2.541 -12.816 3.784 532 HA GLU 62 HA GLU 62 2.102 -15.465 2.729 533 1HB GLU 62 2HB GLU 62 0.561 -13.583 2.301 534 2HB GLU 62 1HB GLU 62 1.826 -12.749 1.419 535 1HG GLU 62 2HG GLU 62 0.361 -13.695 -0.174 536 2HG GLU 62 1HG GLU 62 1.840 -14.653 -0.195 537 H GLY 63 H GLY 63 4.282 -12.822 2.097 538 1HA GLY 63 2HA GLY 63 6.542 -13.433 1.244 539 2HA GLY 63 1HA GLY 63 5.710 -14.518 0.131 540 H LYS 64 H LYS 64 4.173 -11.584 0.820 541 HA LYS 64 HA LYS 64 5.003 -10.475 -1.718 542 1HB LYS 64 2HB LYS 64 2.759 -9.641 -1.984 543 2HB LYS 64 1HB LYS 64 2.671 -11.379 -1.729 544 1HG LYS 64 2HG LYS 64 2.157 -10.658 0.741 545 2HG LYS 64 1HG LYS 64 1.848 -9.103 0.009 546 1HD LYS 64 2HD LYS 64 0.405 -11.681 -0.660 547 2HD LYS 64 1HD LYS 64 -0.274 -10.238 0.095 548 1HE LYS 64 2HE LYS 64 0.318 -8.986 -1.997 549 2HE LYS 64 1HE LYS 64 0.755 -10.523 -2.719 550 1HZ LYS 64 1HZ LYS 64 -1.981 -9.851 -1.725 551 2HZ LYS 64 2HZ LYS 64 -1.503 -11.238 -2.612 552 3HZ LYS 64 3HZ LYS 64 -1.418 -9.716 -3.309 553 H TRP 65 H TRP 65 4.600 -8.036 -1.644 554 HA TRP 65 HA TRP 65 5.973 -7.047 0.785 555 1HB TRP 65 2HB TRP 65 5.886 -6.099 -2.050 556 2HB TRP 65 1HB TRP 65 6.482 -5.065 -0.774 557 HD1 TRP 65 HD TRP 65 7.892 -7.862 0.601 558 HE1 TRP 65 1HE TRP 65 10.165 -8.531 -0.360 559 HE3 TRP 65 3HE TRP 65 7.681 -5.272 -3.804 560 HZ2 TRP 65 2HZ TRP 65 11.687 -8.027 -2.704 561 HZ3 TRP 65 3HZ TRP 65 9.590 -5.420 -5.344 562 HH2 TRP 65 HH TRP 65 11.550 -6.769 -4.804 563 H LEU 66 H LEU 66 5.541 -4.684 1.242 564 HA LEU 66 HA LEU 66 2.644 -4.297 1.088 565 1HB LEU 66 2HB LEU 66 3.541 -4.627 3.369 566 2HB LEU 66 1HB LEU 66 4.573 -3.229 3.142 567 HG LEU 66 HG LEU 66 2.569 -1.808 2.893 568 1HD1 LEU 66 1HD1 LEU 66 0.416 -2.696 3.530 569 2HD1 LEU 66 2HD1 LEU 66 1.135 -4.309 3.659 570 3HD1 LEU 66 3HD1 LEU 66 1.056 -3.502 2.084 571 1HD2 LEU 66 1HD2 LEU 66 3.642 -2.034 5.056 572 2HD2 LEU 66 2HD2 LEU 66 2.640 -3.448 5.398 573 3HD2 LEU 66 3HD2 LEU 66 1.891 -1.865 5.215 574 H GLY 67 H GLY 67 2.264 -2.958 -0.507 575 1HA GLY 67 2HA GLY 67 3.968 -0.584 -0.767 576 2HA GLY 67 1HA GLY 67 3.111 -1.340 -2.112 577 H ARG 68 H ARG 68 2.850 1.345 -1.461 578 HA ARG 68 HA ARG 68 -0.015 1.471 -0.814 579 1HB ARG 68 2HB ARG 68 1.106 2.037 1.214 580 2HB ARG 68 1HB ARG 68 2.161 3.201 0.412 581 1HG ARG 68 2HG ARG 68 -0.032 4.433 -0.135 582 2HG ARG 68 1HG ARG 68 -0.794 3.422 1.088 583 1HD ARG 68 2HD ARG 68 -0.125 5.490 2.071 584 2HD ARG 68 1HD ARG 68 0.903 4.204 2.703 585 HE ARG 68 HE ARG 68 1.938 5.610 0.411 586 1HH1 ARG 68 1HH1 ARG 68 1.892 5.334 3.938 587 2HH1 ARG 68 2HH1 ARG 68 3.286 6.292 4.189 588 1HH2 ARG 68 1HH2 ARG 68 3.864 6.935 0.728 589 2HH2 ARG 68 2HH2 ARG 68 4.435 7.230 2.305 590 H THR 69 H THR 69 -1.037 3.144 -1.657 591 HA THR 69 HA THR 69 0.148 4.486 -4.013 592 HB THR 69 HB THR 69 -2.747 4.421 -3.100 593 HG1 THR 69 1HG THR 69 -1.136 2.494 -4.160 594 1HG2 THR 69 1HG2 THR 69 -3.221 4.764 -5.480 595 2HG2 THR 69 2HG2 THR 69 -1.493 4.726 -5.836 596 3HG2 THR 69 3HG2 THR 69 -2.167 6.040 -4.873 597 H ALA 70 H ALA 70 -0.257 6.900 -4.119 598 HA ALA 70 HA ALA 70 0.626 8.141 -1.800 599 1HB ALA 70 1HB ALA 70 0.292 10.250 -2.937 600 2HB ALA 70 2HB ALA 70 -0.785 9.480 -4.102 601 3HB ALA 70 3HB ALA 70 0.926 9.052 -4.067 602 H ARG 71 H ARG 71 -2.625 7.713 -2.920 603 HA ARG 71 HA ARG 71 -3.704 9.403 -0.882 604 1HB ARG 71 2HB ARG 71 -5.949 8.689 -1.696 605 2HB ARG 71 1HB ARG 71 -4.856 9.309 -2.923 606 1HG ARG 71 2HG ARG 71 -6.095 7.508 -3.872 607 2HG ARG 71 1HG ARG 71 -4.421 7.005 -3.686 608 1HD ARG 71 2HD ARG 71 -6.037 5.239 -3.101 609 2HD ARG 71 1HD ARG 71 -5.004 5.683 -1.747 610 HE ARG 71 HE ARG 71 -6.898 6.969 -0.876 611 1HH1 ARG 71 1HH1 ARG 71 -7.668 4.478 -3.315 612 2HH1 ARG 71 2HH1 ARG 71 -9.241 4.224 -2.751 613 1HH2 ARG 71 1HH2 ARG 71 -8.980 6.618 -0.113 614 2HH2 ARG 71 2HH2 ARG 71 -10.038 5.484 -0.875 615 H GLY 72 H GLY 72 -2.379 6.462 -0.578 616 1HA GLY 72 2HA GLY 72 -2.202 5.229 1.313 617 2HA GLY 72 1HA GLY 72 -3.550 6.042 2.048 618 H SER 73 H SER 73 -2.436 3.307 0.388 619 HA SER 73 HA SER 73 -4.755 1.897 0.861 620 1HB SER 73 2HB SER 73 -3.630 2.003 -1.916 621 2HB SER 73 1HB SER 73 -4.978 1.024 -1.388 622 HG SER 73 HG SER 73 -5.619 3.467 -0.755 623 H TYR 74 H TYR 74 -3.872 0.266 1.572 624 HA TYR 74 HA TYR 74 -1.060 -0.391 0.965 625 1HB TYR 74 2HB TYR 74 -2.673 -0.381 3.391 626 2HB TYR 74 1HB TYR 74 -1.253 -1.465 3.394 627 HD1 TYR 74 1HD TYR 74 0.983 -0.309 3.500 628 HD2 TYR 74 2HD TYR 74 -2.628 1.903 3.713 629 HE1 TYR 74 1HE TYR 74 2.218 1.609 4.409 630 HE2 TYR 74 2HE TYR 74 -1.410 3.827 4.616 631 HH TYR 74 HH TYR 74 0.639 4.283 5.806 632 H GLY 75 H GLY 75 -1.597 -1.942 -0.580 633 1HA GLY 75 2HA GLY 75 -3.475 -3.914 0.444 634 2HA GLY 75 1HA GLY 75 -3.359 -3.529 -1.290 635 H TYR 76 H TYR 76 -0.583 -3.820 0.559 636 HA TYR 76 HA TYR 76 1.149 -5.250 0.213 637 1HB TYR 76 2HB TYR 76 0.069 -7.806 0.839 638 2HB TYR 76 1HB TYR 76 0.883 -6.742 1.962 639 HD1 TYR 76 1HD TYR 76 -0.570 -5.125 3.380 640 HD2 TYR 76 2HD TYR 76 -2.226 -8.207 0.941 641 HE1 TYR 76 1HE TYR 76 -2.700 -4.844 4.470 642 HE2 TYR 76 2HE TYR 76 -4.387 -7.920 2.052 643 HH TYR 76 HH TYR 76 -5.094 -5.237 3.947 644 H ILE 77 H ILE 77 1.745 -5.157 -1.603 645 HA ILE 77 HA ILE 77 0.607 -6.164 -3.990 646 HB ILE 77 HB ILE 77 3.009 -5.858 -4.741 647 1HG1 ILE 77 2HG1 ILE 77 3.042 -4.236 -2.202 648 2HG1 ILE 77 1HG1 ILE 77 4.040 -5.629 -2.594 649 1HG2 ILE 77 1HG2 ILE 77 1.153 -4.449 -5.447 650 2HG2 ILE 77 2HG2 ILE 77 2.563 -3.439 -5.110 651 3HG2 ILE 77 3HG2 ILE 77 1.240 -3.532 -3.933 652 1HD1 ILE 77 1HD1 ILE 77 4.090 -2.972 -3.959 653 2HD1 ILE 77 2HD1 ILE 77 5.088 -4.375 -4.359 654 3HD1 ILE 77 3HD1 ILE 77 5.275 -3.579 -2.786 655 H LYS 78 H LYS 78 0.994 -8.016 -4.970 656 HA LYS 78 HA LYS 78 3.006 -9.687 -3.863 657 1HB LYS 78 2HB LYS 78 2.507 -11.264 -5.659 658 2HB LYS 78 1HB LYS 78 1.010 -10.754 -4.901 659 1HG LYS 78 2HG LYS 78 0.586 -9.244 -6.731 660 2HG LYS 78 1HG LYS 78 2.205 -9.705 -7.331 661 1HD LYS 78 2HD LYS 78 0.292 -10.893 -8.536 662 2HD LYS 78 1HD LYS 78 1.459 -11.968 -7.775 663 1HE LYS 78 2HE LYS 78 -0.822 -12.753 -7.381 664 2HE LYS 78 1HE LYS 78 -0.069 -12.264 -5.866 665 1HZ LYS 78 1HZ LYS 78 -2.392 -11.447 -6.083 666 2HZ LYS 78 2HZ LYS 78 -1.900 -10.527 -7.433 667 3HZ LYS 78 3HZ LYS 78 -1.269 -10.211 -5.934 668 H THR 79 H THR 79 4.659 -9.224 -4.187 669 HA THR 79 HA THR 79 6.369 -7.460 -5.180 670 HB THR 79 HB THR 79 8.190 -9.128 -5.280 671 HG1 THR 79 1HG THR 79 6.149 -11.084 -4.852 672 1HG2 THR 79 1HG2 THR 79 6.159 -9.696 -3.116 673 2HG2 THR 79 2HG2 THR 79 7.339 -8.386 -3.091 674 3HG2 THR 79 3HG2 THR 79 7.882 -10.062 -3.043 675 H THR 80 H THR 80 5.146 -10.038 -7.207 676 HA THR 80 HA THR 80 6.748 -9.444 -9.488 677 HB THR 80 HB THR 80 5.970 -11.693 -9.061 678 HG1 THR 80 1HG THR 80 6.229 -11.011 -11.213 679 1HG2 THR 80 1HG2 THR 80 3.171 -10.592 -9.409 680 2HG2 THR 80 2HG2 THR 80 3.900 -11.119 -7.913 681 3HG2 THR 80 3HG2 THR 80 3.577 -12.299 -9.173 682 H ALA 81 H ALA 81 3.941 -7.895 -8.204 683 HA ALA 81 HA ALA 81 2.925 -7.107 -10.808 684 1HB ALA 81 1HB ALA 81 1.106 -6.083 -9.533 685 2HB ALA 81 2HB ALA 81 1.920 -6.507 -8.023 686 3HB ALA 81 3HB ALA 81 1.319 -7.777 -9.088 687 H VAL 82 H VAL 82 5.302 -6.174 -8.767 688 HA VAL 82 HA VAL 82 5.189 -3.452 -9.804 689 HB VAL 82 HB VAL 82 6.266 -2.613 -7.731 690 1HG1 VAL 82 1HG1 VAL 82 4.230 -2.473 -6.391 691 2HG1 VAL 82 2HG1 VAL 82 3.487 -3.721 -7.396 692 3HG1 VAL 82 3HG1 VAL 82 3.951 -2.170 -8.097 693 1HG2 VAL 82 1HG2 VAL 82 7.097 -4.707 -6.823 694 2HG2 VAL 82 2HG2 VAL 82 5.446 -5.284 -6.589 695 3HG2 VAL 82 3HG2 VAL 82 6.043 -3.916 -5.653 696 H GLU 83 H GLU 83 7.223 -2.407 -9.602 697 HA GLU 83 HA GLU 83 9.576 -4.138 -9.499 698 1HB GLU 83 2HB GLU 83 8.955 -1.952 -11.479 699 2HB GLU 83 1HB GLU 83 10.536 -2.701 -11.309 700 1HG GLU 83 2HG GLU 83 9.581 -4.852 -11.974 701 2HG GLU 83 1HG GLU 83 8.004 -4.089 -12.156 702 H ILE 84 H ILE 84 10.470 -3.375 -7.643 703 HA ILE 84 HA ILE 84 9.909 -0.645 -6.945 704 HB ILE 84 HB ILE 84 11.064 -0.912 -4.867 705 1HG1 ILE 84 2HG1 ILE 84 11.800 -3.741 -5.575 706 2HG1 ILE 84 1HG1 ILE 84 12.896 -2.399 -5.892 707 1HG2 ILE 84 1HG2 ILE 84 9.374 -3.325 -5.466 708 2HG2 ILE 84 2HG2 ILE 84 8.809 -1.739 -4.935 709 3HG2 ILE 84 3HG2 ILE 84 9.782 -2.737 -3.854 710 1HD1 ILE 84 1HD1 ILE 84 11.784 -3.165 -3.207 711 2HD1 ILE 84 2HD1 ILE 84 12.857 -1.812 -3.551 712 3HD1 ILE 84 3HD1 ILE 84 13.434 -3.463 -3.789 713 H ASP 85 H ASP 85 11.568 0.768 -6.183 714 HA ASP 85 HA ASP 85 13.634 1.081 -8.126 715 1HB ASP 85 2HB ASP 85 12.409 2.971 -7.203 716 2HB ASP 85 1HB ASP 85 12.992 2.591 -5.591 717 H TYR 86 H TYR 86 15.175 -0.349 -7.966 718 HA TYR 86 HA TYR 86 16.324 -1.112 -5.388 719 1HB TYR 86 2HB TYR 86 17.092 -1.929 -8.207 720 2HB TYR 86 1HB TYR 86 17.829 -2.558 -6.745 721 HD1 TYR 86 1HD TYR 86 16.462 -3.995 -5.218 722 HD2 TYR 86 2HD TYR 86 15.072 -2.795 -9.052 723 HE1 TYR 86 1HE TYR 86 14.814 -5.818 -5.183 724 HE2 TYR 86 2HE TYR 86 13.415 -4.605 -9.024 725 HH TYR 86 HH TYR 86 13.197 -6.790 -7.952 726 H ASP 87 H ASP 87 17.383 0.193 -8.456 727 HA ASP 87 HA ASP 87 19.733 1.371 -7.232 728 1HB ASP 87 2HB ASP 87 19.961 0.353 -9.469 729 2HB ASP 87 1HB ASP 87 18.755 1.465 -10.106 730 H SER 88 H SER 88 18.993 2.914 -5.909 731 HA SER 88 HA SER 88 16.951 4.712 -6.590 732 1HB SER 88 2HB SER 88 19.015 4.817 -4.392 733 2HB SER 88 1HB SER 88 17.599 5.869 -4.506 734 HG SER 88 HG SER 88 16.563 3.633 -4.823 735 H LEU 89 H LEU 89 16.940 6.569 -7.456 736 HA LEU 89 HA LEU 89 17.464 8.233 -8.811 737 1HB LEU 89 2HB LEU 89 20.067 8.289 -7.272 738 2HB LEU 89 1HB LEU 89 19.528 9.546 -8.374 739 HG LEU 89 HG LEU 89 18.138 8.749 -5.817 740 1HD1 LEU 89 1HD1 LEU 89 19.759 11.191 -6.494 741 2HD1 LEU 89 2HD1 LEU 89 20.239 9.890 -5.405 742 3HD1 LEU 89 3HD1 LEU 89 18.867 10.921 -4.997 743 1HD2 LEU 89 1HD2 LEU 89 17.566 10.974 -7.767 744 2HD2 LEU 89 2HD2 LEU 89 16.754 10.723 -6.221 745 3HD2 LEU 89 3HD2 LEU 89 16.576 9.535 -7.512 746 H LYS 90 H LYS 90 17.325 6.696 -10.402 747 HA LYS 90 HA LYS 90 19.506 5.319 -11.520 748 1HB LYS 90 2HB LYS 90 17.041 4.850 -11.834 749 2HB LYS 90 1HB LYS 90 16.965 6.254 -12.878 750 1HG LYS 90 2HG LYS 90 18.337 5.197 -14.514 751 2HG LYS 90 1HG LYS 90 18.705 3.861 -13.416 752 1HD LYS 90 2HD LYS 90 16.277 3.300 -13.368 753 2HD LYS 90 1HD LYS 90 16.003 4.554 -14.577 754 1HE LYS 90 2HE LYS 90 17.355 3.388 -16.173 755 2HE LYS 90 1HE LYS 90 17.851 2.213 -14.958 756 1HZ LYS 90 1HZ LYS 90 15.541 1.477 -14.808 757 2HZ LYS 90 2HZ LYS 90 16.146 1.287 -16.359 758 3HZ LYS 90 3HZ LYS 90 15.066 2.518 -16.038 759 H LEU 91 H LEU 91 21.248 6.375 -12.161 760 HA LEU 91 HA LEU 91 21.101 9.139 -12.891 761 1HB LEU 91 2HB LEU 91 23.499 7.322 -12.764 762 2HB LEU 91 1HB LEU 91 23.554 9.059 -12.991 763 HG LEU 91 HG LEU 91 22.589 7.607 -10.522 764 1HD1 LEU 91 1HD1 LEU 91 25.022 9.311 -10.998 765 2HD1 LEU 91 2HD1 LEU 91 24.995 7.562 -10.760 766 3HD1 LEU 91 3HD1 LEU 91 24.522 8.637 -9.447 767 1HD2 LEU 91 1HD2 LEU 91 22.408 9.829 -9.510 768 2HD2 LEU 91 2HD2 LEU 91 21.297 9.636 -10.865 769 3HD2 LEU 91 3HD2 LEU 91 22.782 10.568 -11.069 770 H LYS 92 H LYS 92 21.527 6.154 -14.592 771 HA LYS 92 HA LYS 92 22.207 7.603 -17.021 772 1HB LYS 92 2HB LYS 92 21.739 4.625 -16.626 773 2HB LYS 92 1HB LYS 92 22.142 5.362 -18.161 774 1HG LYS 92 2HG LYS 92 24.156 4.459 -17.409 775 2HG LYS 92 1HG LYS 92 24.287 6.166 -17.005 776 1HD LYS 92 2HD LYS 92 25.095 4.845 -15.155 777 2HD LYS 92 1HD LYS 92 23.577 5.614 -14.688 778 1HE LYS 92 2HE LYS 92 23.612 3.305 -13.926 779 2HE LYS 92 1HE LYS 92 22.382 3.518 -15.167 780 1HZ LYS 92 1HZ LYS 92 25.094 2.393 -15.648 781 2HZ LYS 92 2HZ LYS 92 23.850 2.467 -16.782 782 3HZ LYS 92 3HZ LYS 92 23.708 1.465 -15.448 783 H LYS 93 H LYS 93 20.836 7.861 -18.754 784 HA LYS 93 HA LYS 93 18.093 7.056 -18.203 785 1HB LYS 93 2HB LYS 93 18.371 9.483 -17.764 786 2HB LYS 93 1HB LYS 93 18.881 9.704 -19.431 787 1HG LYS 93 2HG LYS 93 16.698 9.045 -20.236 788 2HG LYS 93 1HG LYS 93 16.179 8.647 -18.600 789 1HD LYS 93 2HD LYS 93 17.002 11.400 -19.530 790 2HD LYS 93 1HD LYS 93 15.335 10.840 -19.391 791 1HE LYS 93 2HE LYS 93 17.292 10.900 -17.098 792 2HE LYS 93 1HE LYS 93 16.173 12.208 -17.458 793 1HZ LYS 93 1HZ LYS 93 15.259 9.413 -16.851 794 2HZ LYS 93 2HZ LYS 93 14.345 10.852 -16.932 795 3HZ LYS 93 3HZ LYS 93 15.439 10.645 -15.717 796 H ASP 94 H ASP 94 18.205 5.350 -19.396 797 HA ASP 94 HA ASP 94 17.560 5.636 -22.143 798 1HB ASP 94 2HB ASP 94 20.006 5.460 -22.425 799 2HB ASP 94 1HB ASP 94 20.043 4.042 -21.381 800 H LEU 95 H LEU 95 15.775 4.652 -21.970 801 HA LEU 95 HA LEU 95 14.133 3.221 -21.494 802 1HB LEU 95 2HB LEU 95 15.526 1.393 -22.371 803 2HB LEU 95 1HB LEU 95 16.339 1.250 -20.825 804 HG LEU 95 HG LEU 95 14.193 0.563 -19.797 805 1HD1 LEU 95 1HD1 LEU 95 13.193 0.535 -22.630 806 2HD1 LEU 95 2HD1 LEU 95 12.656 1.606 -21.333 807 3HD1 LEU 95 3HD1 LEU 95 12.348 -0.128 -21.233 808 1HD2 LEU 95 1HD2 LEU 95 15.105 -1.123 -22.123 809 2HD2 LEU 95 2HD2 LEU 95 14.164 -1.692 -20.744 810 3HD2 LEU 95 3HD2 LEU 95 15.811 -1.105 -20.508 811 H GLU 96 H GLU 96 13.219 4.251 -19.909 812 HA GLU 96 HA GLU 96 14.258 4.290 -17.244 813 1HB GLU 96 2HB GLU 96 11.476 4.997 -18.219 814 2HB GLU 96 1HB GLU 96 12.197 5.464 -16.686 815 1HG GLU 96 2HG GLU 96 13.145 6.351 -19.401 816 2HG GLU 96 1HG GLU 96 12.136 7.297 -18.313 Start of MODEL 13 1 1H GLU 1 1HT GLU 1 -1.275 -4.433 24.401 2 2H GLU 1 2HT GLU 1 -1.414 -4.719 22.748 3 3H GLU 1 3HT GLU 1 -2.037 -5.834 23.824 4 HA GLU 1 HA GLU 1 -3.680 -4.256 24.555 5 1HB GLU 1 2HB GLU 1 -2.463 -2.529 22.383 6 2HB GLU 1 1HB GLU 1 -3.974 -2.180 23.211 7 1HG GLU 1 2HG GLU 1 -1.218 -2.258 24.408 8 2HG GLU 1 1HG GLU 1 -2.255 -0.846 24.178 9 H LYS 2 H LYS 2 -5.594 -3.603 23.051 10 HA LYS 2 HA LYS 2 -6.116 -5.880 21.362 11 1HB LYS 2 2HB LYS 2 -7.804 -3.515 22.188 12 2HB LYS 2 1HB LYS 2 -8.381 -4.789 21.123 13 1HG LYS 2 2HG LYS 2 -7.449 -5.156 23.966 14 2HG LYS 2 1HG LYS 2 -9.128 -5.142 23.410 15 1HD LYS 2 2HD LYS 2 -8.659 -7.061 21.970 16 2HD LYS 2 1HD LYS 2 -6.998 -7.079 22.548 17 1HE LYS 2 2HE LYS 2 -7.824 -7.521 24.823 18 2HE LYS 2 1HE LYS 2 -9.477 -7.562 24.192 19 1HZ LYS 2 1HZ LYS 2 -7.265 -9.332 23.351 20 2HZ LYS 2 2HZ LYS 2 -8.825 -9.367 22.737 21 3HZ LYS 2 3HZ LYS 2 -8.544 -9.819 24.347 22 H LYS 3 H LYS 3 -7.244 -5.529 19.230 23 HA LYS 3 HA LYS 3 -5.649 -3.789 17.579 24 1HB LYS 3 2HB LYS 3 -7.896 -5.710 16.904 25 2HB LYS 3 1HB LYS 3 -7.141 -4.678 15.710 26 1HG LYS 3 2HG LYS 3 -6.195 -6.843 15.488 27 2HG LYS 3 1HG LYS 3 -4.968 -5.820 16.222 28 1HD LYS 3 2HD LYS 3 -5.514 -6.767 18.423 29 2HD LYS 3 1HD LYS 3 -6.746 -7.784 17.671 30 1HE LYS 3 2HE LYS 3 -5.016 -8.858 16.310 31 2HE LYS 3 1HE LYS 3 -3.792 -7.848 17.073 32 1HZ LYS 3 1HZ LYS 3 -3.859 -10.019 18.112 33 2HZ LYS 3 2HZ LYS 3 -5.497 -9.850 18.471 34 3HZ LYS 3 3HZ LYS 3 -4.362 -8.845 19.198 35 H GLU 4 H GLU 4 -6.357 -2.021 16.463 36 HA GLU 4 HA GLU 4 -8.609 -0.656 17.615 37 1HB GLU 4 2HB GLU 4 -6.522 0.573 17.282 38 2HB GLU 4 1HB GLU 4 -6.502 0.146 15.583 39 1HG GLU 4 2HG GLU 4 -7.153 2.473 16.006 40 2HG GLU 4 1HG GLU 4 -8.393 1.549 15.158 41 H GLN 5 H GLN 5 -10.522 -1.169 16.866 42 HA GLN 5 HA GLN 5 -10.844 -1.658 13.992 43 1HB GLN 5 2HB GLN 5 -10.818 -3.740 15.278 44 2HB GLN 5 1HB GLN 5 -12.140 -3.149 16.267 45 1HG GLN 5 2HG GLN 5 -13.610 -3.164 14.338 46 2HG GLN 5 1HG GLN 5 -12.278 -3.700 13.312 47 1HE2 GLN 5 1HE2 GLN 5 -14.810 -4.978 13.913 48 2HE2 GLN 5 2HE2 GLN 5 -14.414 -6.527 14.593 49 H LYS 6 H LYS 6 -12.101 -0.064 16.847 50 HA LYS 6 HA LYS 6 -14.610 0.520 15.486 51 1HB LYS 6 2HB LYS 6 -15.426 1.609 17.472 52 2HB LYS 6 1HB LYS 6 -14.594 0.170 18.003 53 1HG LYS 6 2HG LYS 6 -13.477 2.978 18.134 54 2HG LYS 6 1HG LYS 6 -14.232 2.119 19.472 55 1HD LYS 6 2HD LYS 6 -12.479 0.429 19.362 56 2HD LYS 6 1HD LYS 6 -11.743 1.278 18.005 57 1HE LYS 6 2HE LYS 6 -11.517 3.275 19.518 58 2HE LYS 6 1HE LYS 6 -12.012 2.230 20.848 59 1HZ LYS 6 1HZ LYS 6 -9.657 1.913 19.104 60 2HZ LYS 6 2HZ LYS 6 -10.104 0.763 20.230 61 3HZ LYS 6 3HZ LYS 6 -9.586 2.292 20.745 62 H GLU 7 H GLU 7 -11.589 1.674 15.481 63 HA GLU 7 HA GLU 7 -12.305 4.006 13.947 64 1HB GLU 7 2HB GLU 7 -11.945 4.883 16.230 65 2HB GLU 7 1HB GLU 7 -10.476 3.949 16.389 66 1HG GLU 7 2HG GLU 7 -10.109 6.369 16.080 67 2HG GLU 7 1HG GLU 7 -9.336 5.381 14.843 68 H LYS 8 H LYS 8 -10.176 4.604 12.730 69 HA LYS 8 HA LYS 8 -8.806 2.076 12.151 70 1HB LYS 8 2HB LYS 8 -8.713 4.674 10.600 71 2HB LYS 8 1HB LYS 8 -7.979 3.155 10.110 72 1HG LYS 8 2HG LYS 8 -10.279 2.163 10.064 73 2HG LYS 8 1HG LYS 8 -10.913 3.786 10.331 74 1HD LYS 8 2HD LYS 8 -9.225 2.883 7.989 75 2HD LYS 8 1HD LYS 8 -10.955 3.217 7.958 76 1HE LYS 8 2HE LYS 8 -10.505 5.557 8.518 77 2HE LYS 8 1HE LYS 8 -8.777 5.213 8.556 78 1HZ LYS 8 1HZ LYS 8 -8.951 4.566 6.169 79 2HZ LYS 8 2HZ LYS 8 -9.317 6.169 6.465 80 3HZ LYS 8 3HZ LYS 8 -10.569 5.075 6.189 81 H GLU 9 H GLU 9 -8.438 4.865 13.871 82 HA GLU 9 HA GLU 9 -6.831 5.821 15.115 83 1HB GLU 9 2HB GLU 9 -5.937 3.674 15.777 84 2HB GLU 9 1HB GLU 9 -5.142 3.463 14.222 85 1HG GLU 9 2HG GLU 9 -3.694 5.383 14.749 86 2HG GLU 9 1HG GLU 9 -4.452 5.490 16.333 87 H LYS 10 H LYS 10 -5.145 4.553 12.325 88 HA LYS 10 HA LYS 10 -4.989 6.952 10.918 89 1HB LYS 10 2HB LYS 10 -3.240 7.413 12.694 90 2HB LYS 10 1HB LYS 10 -2.394 5.964 12.169 91 1HG LYS 10 2HG LYS 10 -2.076 6.937 9.961 92 2HG LYS 10 1HG LYS 10 -2.943 8.385 10.471 93 1HD LYS 10 2HD LYS 10 -1.220 8.784 12.179 94 2HD LYS 10 1HD LYS 10 -0.350 7.354 11.608 95 1HE LYS 10 2HE LYS 10 -0.151 8.360 9.392 96 2HE LYS 10 1HE LYS 10 -1.008 9.788 9.960 97 1HZ LYS 10 1HZ LYS 10 1.617 8.818 10.940 98 2HZ LYS 10 2HZ LYS 10 0.810 10.195 11.521 99 3HZ LYS 10 3HZ LYS 10 1.354 10.133 9.919 100 H LYS 11 H LYS 11 -4.407 6.398 8.837 101 HA LYS 11 HA LYS 11 -4.103 5.089 7.030 102 1HB LYS 11 2HB LYS 11 -2.697 3.127 8.888 103 2HB LYS 11 1HB LYS 11 -2.561 3.182 7.134 104 1HG LYS 11 2HG LYS 11 -1.465 5.360 7.278 105 2HG LYS 11 1HG LYS 11 -1.626 5.325 9.034 106 1HD LYS 11 2HD LYS 11 -0.241 3.280 9.076 107 2HD LYS 11 1HD LYS 11 -0.030 3.427 7.328 108 1HE LYS 11 2HE LYS 11 0.922 5.705 7.716 109 2HE LYS 11 1HE LYS 11 0.872 5.371 9.443 110 1HZ LYS 11 1HZ LYS 11 2.417 3.887 7.402 111 2HZ LYS 11 2HZ LYS 11 2.340 3.444 9.031 112 3HZ LYS 11 3HZ LYS 11 3.049 4.906 8.587 113 H GLU 12 H GLU 12 -4.255 2.208 6.863 114 HA GLU 12 HA GLU 12 -7.089 1.970 7.479 115 1HB GLU 12 2HB GLU 12 -5.331 0.321 5.662 116 2HB GLU 12 1HB GLU 12 -7.039 0.008 5.950 117 1HG GLU 12 2HG GLU 12 -5.853 2.473 4.693 118 2HG GLU 12 1HG GLU 12 -6.744 1.193 3.871 119 H GLN 13 H GLN 13 -7.927 -0.008 8.332 120 HA GLN 13 HA GLN 13 -6.559 -0.709 10.719 121 1HB GLN 13 2HB GLN 13 -9.086 -1.795 9.522 122 2HB GLN 13 1HB GLN 13 -8.506 -2.156 11.140 123 1HG GLN 13 2HG GLN 13 -8.870 0.028 11.872 124 2HG GLN 13 1HG GLN 13 -9.034 0.642 10.227 125 1HE2 GLN 13 1HE2 GLN 13 -10.841 0.799 12.497 126 2HE2 GLN 13 2HE2 GLN 13 -12.334 0.129 11.944 127 H GLU 14 H GLU 14 -7.723 -2.708 8.181 128 HA GLU 14 HA GLU 14 -6.772 -5.135 9.236 129 1HB GLU 14 2HB GLU 14 -7.508 -4.507 6.408 130 2HB GLU 14 1HB GLU 14 -7.013 -6.101 6.939 131 1HG GLU 14 2HG GLU 14 -8.911 -6.010 8.576 132 2HG GLU 14 1HG GLU 14 -9.457 -4.558 7.727 133 H ILE 15 H ILE 15 -5.092 -2.807 7.394 134 HA ILE 15 HA ILE 15 -3.270 -4.580 6.155 135 HB ILE 15 HB ILE 15 -2.010 -2.593 5.527 136 1HG1 ILE 15 2HG1 ILE 15 -3.457 -0.379 6.549 137 2HG1 ILE 15 1HG1 ILE 15 -3.309 -1.484 7.874 138 1HG2 ILE 15 1HG2 ILE 15 -3.778 -1.338 4.391 139 2HG2 ILE 15 2HG2 ILE 15 -4.979 -2.115 5.421 140 3HG2 ILE 15 3HG2 ILE 15 -4.028 -3.079 4.290 141 1HD1 ILE 15 1HD1 ILE 15 -1.475 0.123 7.858 142 2HD1 ILE 15 2HD1 ILE 15 -0.948 -0.513 6.297 143 3HD1 ILE 15 3HD1 ILE 15 -0.922 -1.546 7.724 144 H LYS 16 H LYS 16 -3.515 -3.101 9.196 145 HA LYS 16 HA LYS 16 -0.822 -3.160 9.916 146 1HB LYS 16 2HB LYS 16 -3.320 -2.821 11.562 147 2HB LYS 16 1HB LYS 16 -1.685 -2.531 12.152 148 1HG LYS 16 2HG LYS 16 -1.365 -0.698 10.728 149 2HG LYS 16 1HG LYS 16 -2.741 -1.131 9.720 150 1HD LYS 16 2HD LYS 16 -3.323 0.771 11.039 151 2HD LYS 16 1HD LYS 16 -4.232 -0.612 11.611 152 1HE LYS 16 2HE LYS 16 -2.677 -0.897 13.471 153 2HE LYS 16 1HE LYS 16 -1.744 0.491 12.910 154 1HZ LYS 16 1HZ LYS 16 -3.333 1.012 14.714 155 2HZ LYS 16 2HZ LYS 16 -4.607 0.616 13.663 156 3HZ LYS 16 3HZ LYS 16 -3.596 1.923 13.318 157 H LYS 17 H LYS 17 -3.469 -5.305 10.319 158 HA LYS 17 HA LYS 17 -1.850 -7.130 11.947 159 1HB LYS 17 2HB LYS 17 -4.018 -6.543 12.872 160 2HB LYS 17 1HB LYS 17 -4.822 -7.033 11.397 161 1HG LYS 17 2HG LYS 17 -4.231 -9.351 11.837 162 2HG LYS 17 1HG LYS 17 -3.367 -8.861 13.293 163 1HD LYS 17 2HD LYS 17 -5.422 -8.061 14.285 164 2HD LYS 17 1HD LYS 17 -6.307 -8.404 12.797 165 1HE LYS 17 2HE LYS 17 -4.867 -10.489 14.427 166 2HE LYS 17 1HE LYS 17 -6.581 -10.116 14.599 167 1HZ LYS 17 1HZ LYS 17 -6.975 -10.803 12.368 168 2HZ LYS 17 2HZ LYS 17 -6.128 -12.044 13.119 169 3HZ LYS 17 3HZ LYS 17 -5.337 -11.020 12.041 170 H LYS 18 H LYS 18 -2.849 -6.672 8.757 171 HA LYS 18 HA LYS 18 -3.016 -9.477 8.069 172 1HB LYS 18 2HB LYS 18 -4.158 -7.409 6.901 173 2HB LYS 18 1HB LYS 18 -2.643 -7.328 6.021 174 1HG LYS 18 2HG LYS 18 -4.028 -8.579 4.632 175 2HG LYS 18 1HG LYS 18 -3.058 -9.801 5.457 176 1HD LYS 18 2HD LYS 18 -5.380 -10.505 5.418 177 2HD LYS 18 1HD LYS 18 -4.915 -10.118 7.080 178 1HE LYS 18 2HE LYS 18 -5.951 -7.887 6.828 179 2HE LYS 18 1HE LYS 18 -6.445 -8.306 5.194 180 1HZ LYS 18 1HZ LYS 18 -7.851 -10.072 6.130 181 2HZ LYS 18 2HZ LYS 18 -8.274 -8.585 6.771 182 3HZ LYS 18 3HZ LYS 18 -7.344 -9.664 7.685 183 H PHE 19 H PHE 19 -0.753 -6.767 7.242 184 HA PHE 19 HA PHE 19 1.189 -8.754 6.381 185 1HB PHE 19 2HB PHE 19 0.865 -6.402 5.251 186 2HB PHE 19 1HB PHE 19 1.745 -5.763 6.633 187 HD1 PHE 19 1HD PHE 19 2.065 -7.113 3.388 188 HD2 PHE 19 2HD PHE 19 4.050 -6.788 7.117 189 HE1 PHE 19 1HE PHE 19 4.222 -7.496 2.288 190 HE2 PHE 19 2HE PHE 19 6.197 -7.167 6.014 191 HZ PHE 19 HZ PHE 19 6.316 -7.486 3.609 192 H LYS 20 H LYS 20 0.344 -6.770 9.041 193 HA LYS 20 HA LYS 20 0.978 -6.625 11.172 194 1HB LYS 20 2HB LYS 20 1.194 -9.063 11.217 195 2HB LYS 20 1HB LYS 20 2.807 -8.945 10.538 196 1HG LYS 20 2HG LYS 20 3.348 -7.572 12.668 197 2HG LYS 20 1HG LYS 20 1.871 -8.306 13.305 198 1HD LYS 20 2HD LYS 20 3.788 -9.675 13.889 199 2HD LYS 20 1HD LYS 20 2.768 -10.534 12.723 200 1HE LYS 20 2HE LYS 20 4.269 -9.644 10.908 201 2HE LYS 20 1HE LYS 20 5.344 -9.059 12.170 202 1HZ LYS 20 1HZ LYS 20 5.608 -11.357 12.928 203 2HZ LYS 20 2HZ LYS 20 6.021 -11.187 11.275 204 3HZ LYS 20 3HZ LYS 20 4.534 -11.846 11.713 205 H LEU 21 H LEU 21 1.749 -4.640 10.951 206 HA LEU 21 HA LEU 21 4.597 -4.461 10.369 207 1HB LEU 21 2HB LEU 21 2.820 -2.018 10.644 208 2HB LEU 21 1HB LEU 21 4.394 -2.164 10.000 209 HG LEU 21 HG LEU 21 3.122 -1.894 8.088 210 1HD1 LEU 21 1HD1 LEU 21 3.352 -3.971 6.847 211 2HD1 LEU 21 2HD1 LEU 21 3.603 -4.822 8.364 212 3HD1 LEU 21 3HD1 LEU 21 4.772 -3.607 7.838 213 1HD2 LEU 21 1HD2 LEU 21 1.150 -3.230 7.452 214 2HD2 LEU 21 2HD2 LEU 21 0.835 -2.334 8.921 215 3HD2 LEU 21 3HD2 LEU 21 1.190 -4.062 8.991 216 H THR 22 H THR 22 2.271 -3.123 12.569 217 HA THR 22 HA THR 22 2.324 -2.436 14.623 218 HB THR 22 HB THR 22 3.450 -3.897 16.356 219 HG1 THR 22 1HG THR 22 4.894 -4.667 14.216 220 1HG2 THR 22 1HG2 THR 22 1.221 -4.389 15.515 221 2HG2 THR 22 2HG2 THR 22 2.108 -5.887 15.833 222 3HG2 THR 22 3HG2 THR 22 1.918 -5.303 14.178 223 H GLY 23 H GLY 23 3.013 -0.472 14.219 224 1HA GLY 23 2HA GLY 23 4.472 1.083 15.445 225 2HA GLY 23 1HA GLY 23 5.817 0.105 14.852 226 HA PRO 24 HA PRO 24 3.965 3.296 11.626 227 1HB PRO 24 2HB PRO 24 5.952 5.199 12.763 228 2HB PRO 24 1HB PRO 24 4.318 5.510 12.164 229 1HG PRO 24 2HG PRO 24 4.827 5.508 14.775 230 2HG PRO 24 1HG PRO 24 3.320 4.820 14.143 231 1HD PRO 24 2HD PRO 24 5.789 3.431 15.093 232 2HD PRO 24 1HD PRO 24 4.084 2.993 15.335 233 H ILE 25 H ILE 25 4.897 2.379 9.954 234 HA ILE 25 HA ILE 25 7.805 2.184 9.778 235 HB ILE 25 HB ILE 25 7.419 0.793 7.792 236 1HG1 ILE 25 2HG1 ILE 25 4.473 1.147 8.387 237 2HG1 ILE 25 1HG1 ILE 25 5.325 1.891 7.037 238 1HG2 ILE 25 1HG2 ILE 25 6.388 -1.120 8.936 239 2HG2 ILE 25 2HG2 ILE 25 5.792 -0.036 10.190 240 3HG2 ILE 25 3HG2 ILE 25 7.526 -0.262 9.976 241 1HD1 ILE 25 1HD1 ILE 25 5.851 -0.298 6.165 242 2HD1 ILE 25 2HD1 ILE 25 4.108 -0.063 6.328 243 3HD1 ILE 25 3HD1 ILE 25 4.993 -1.052 7.508 244 H GLN 26 H GLN 26 8.352 2.369 7.146 245 HA GLN 26 HA GLN 26 7.393 5.006 6.366 246 1HB GLN 26 2HB GLN 26 9.642 5.910 6.103 247 2HB GLN 26 1HB GLN 26 9.327 5.481 7.774 248 1HG GLN 26 2HG GLN 26 10.654 3.480 7.553 249 2HG GLN 26 1HG GLN 26 10.855 3.798 5.825 250 1HE2 GLN 26 1HE2 GLN 26 11.747 4.806 9.041 251 2HE2 GLN 26 2HE2 GLN 26 13.049 5.821 8.543 252 H VAL 27 H VAL 27 8.459 5.632 4.190 253 HA VAL 27 HA VAL 27 8.212 3.277 2.553 254 HB VAL 27 HB VAL 27 6.975 5.167 1.709 255 1HG1 VAL 27 1HG1 VAL 27 8.300 6.995 2.619 256 2HG1 VAL 27 2HG1 VAL 27 8.057 7.171 0.861 257 3HG1 VAL 27 3HG1 VAL 27 9.601 6.588 1.486 258 1HG2 VAL 27 1HG2 VAL 27 7.881 3.678 0.059 259 2HG2 VAL 27 2HG2 VAL 27 9.363 4.634 -0.019 260 3HG2 VAL 27 3HG2 VAL 27 7.836 5.327 -0.560 261 H ILE 28 H ILE 28 9.690 2.224 1.755 262 HA ILE 28 HA ILE 28 12.433 2.892 2.357 263 HB ILE 28 HB ILE 28 11.269 0.404 1.078 264 1HG1 ILE 28 2HG1 ILE 28 10.328 0.697 3.285 265 2HG1 ILE 28 1HG1 ILE 28 11.502 -0.609 3.330 266 1HG2 ILE 28 1HG2 ILE 28 13.971 0.859 2.340 267 2HG2 ILE 28 2HG2 ILE 28 13.647 0.644 0.618 268 3HG2 ILE 28 3HG2 ILE 28 13.359 -0.685 1.742 269 1HD1 ILE 28 1HD1 ILE 28 11.947 2.212 4.296 270 2HD1 ILE 28 2HD1 ILE 28 13.136 0.910 4.346 271 3HD1 ILE 28 3HD1 ILE 28 11.664 0.793 5.308 272 H HIS 29 H HIS 29 10.289 2.677 -0.422 273 HA HIS 29 HA HIS 29 12.088 3.946 -2.214 274 1HB HIS 29 2HB HIS 29 11.690 0.965 -2.601 275 2HB HIS 29 1HB HIS 29 12.104 2.034 -3.920 276 HD1 HIS 29 1HD HIS 29 13.536 -0.219 -1.567 277 HD2 HIS 29 2HD HIS 29 14.767 3.368 -3.266 278 HE1 HIS 29 1HE HIS 29 16.035 -0.155 -1.291 279 HE2 HIS 29 2HE HIS 29 16.736 1.821 -2.659 280 H LEU 30 H LEU 30 11.101 4.037 -4.384 281 HA LEU 30 HA LEU 30 8.212 3.720 -4.122 282 1HB LEU 30 2HB LEU 30 9.812 5.512 -5.957 283 2HB LEU 30 1HB LEU 30 8.092 5.252 -6.132 284 HG LEU 30 HG LEU 30 7.839 6.212 -3.789 285 1HD1 LEU 30 1HD1 LEU 30 9.594 7.689 -2.984 286 2HD1 LEU 30 2HD1 LEU 30 10.660 7.127 -4.272 287 3HD1 LEU 30 3HD1 LEU 30 10.123 6.006 -3.019 288 1HD2 LEU 30 1HD2 LEU 30 7.243 7.436 -5.782 289 2HD2 LEU 30 2HD2 LEU 30 8.911 7.968 -5.972 290 3HD2 LEU 30 3HD2 LEU 30 7.966 8.511 -4.586 291 H ALA 31 H ALA 31 7.443 2.092 -5.054 292 HA ALA 31 HA ALA 31 8.948 0.766 -7.171 293 1HB ALA 31 1HB ALA 31 7.495 -1.130 -6.965 294 2HB ALA 31 2HB ALA 31 6.449 -0.293 -5.831 295 3HB ALA 31 3HB ALA 31 8.118 -0.717 -5.377 296 H LYS 32 H LYS 32 8.000 0.051 -8.996 297 HA LYS 32 HA LYS 32 6.079 1.977 -10.044 298 1HB LYS 32 2HB LYS 32 8.347 2.042 -10.973 299 2HB LYS 32 1HB LYS 32 8.249 0.334 -11.344 300 1HG LYS 32 2HG LYS 32 6.650 0.718 -13.041 301 2HG LYS 32 1HG LYS 32 6.415 2.389 -12.540 302 1HD LYS 32 2HD LYS 32 7.885 2.294 -14.512 303 2HD LYS 32 1HD LYS 32 8.747 2.919 -13.107 304 1HE LYS 32 2HE LYS 32 10.211 1.403 -14.207 305 2HE LYS 32 1HE LYS 32 9.643 0.596 -12.748 306 1HZ LYS 32 1HZ LYS 32 7.970 -0.557 -14.214 307 2HZ LYS 32 2HZ LYS 32 9.580 -0.927 -14.515 308 3HZ LYS 32 3HZ LYS 32 8.782 0.145 -15.535 309 H ALA 33 H ALA 33 4.125 1.126 -10.250 310 HA ALA 33 HA ALA 33 3.564 -1.601 -10.114 311 1HB ALA 33 1HB ALA 33 1.344 -0.961 -10.851 312 2HB ALA 33 2HB ALA 33 1.945 0.637 -11.285 313 3HB ALA 33 3HB ALA 33 1.933 0.125 -9.591 314 H CYS 34 H CYS 34 4.481 -2.855 -11.597 315 HA CYS 34 HA CYS 34 4.560 -2.031 -14.365 316 1HB CYS 34 2HB CYS 34 5.563 -4.552 -13.040 317 2HB CYS 34 1HB CYS 34 5.819 -4.122 -14.729 318 HG CYS 34 HG CYS 34 8.187 -3.653 -13.460 319 H CYS 35 H CYS 35 2.385 -3.648 -12.383 320 HA CYS 35 HA CYS 35 0.960 -4.624 -14.746 321 1HB CYS 35 2HB CYS 35 1.264 -6.107 -12.129 322 2HB CYS 35 1HB CYS 35 0.239 -6.602 -13.472 323 HG CYS 35 HG CYS 35 2.436 -6.821 -15.222 324 H ASP 36 H ASP 36 -1.045 -3.892 -14.804 325 HA ASP 36 HA ASP 36 -2.230 -2.513 -12.569 326 1HB ASP 36 2HB ASP 36 -2.955 -1.513 -14.327 327 2HB ASP 36 1HB ASP 36 -3.081 -2.906 -15.413 328 H VAL 37 H VAL 37 -2.755 -3.556 -11.029 329 HA VAL 37 HA VAL 37 -4.340 -6.001 -11.374 330 HB VAL 37 HB VAL 37 -2.053 -6.251 -10.254 331 1HG1 VAL 37 1HG1 VAL 37 -2.067 -4.300 -8.939 332 2HG1 VAL 37 2HG1 VAL 37 -1.918 -5.710 -7.884 333 3HG1 VAL 37 3HG1 VAL 37 -3.465 -4.860 -8.033 334 1HG2 VAL 37 1HG2 VAL 37 -4.453 -7.186 -8.693 335 2HG2 VAL 37 2HG2 VAL 37 -2.819 -7.828 -8.540 336 3HG2 VAL 37 3HG2 VAL 37 -3.701 -8.018 -10.056 337 H LYS 38 H LYS 38 -6.105 -6.300 -9.770 338 HA LYS 38 HA LYS 38 -6.731 -3.851 -8.393 339 1HB LYS 38 2HB LYS 38 -9.159 -4.095 -8.936 340 2HB LYS 38 1HB LYS 38 -8.154 -3.684 -10.305 341 1HG LYS 38 2HG LYS 38 -9.079 -6.460 -9.707 342 2HG LYS 38 1HG LYS 38 -10.022 -5.354 -10.717 343 1HD LYS 38 2HD LYS 38 -7.269 -6.517 -11.258 344 2HD LYS 38 1HD LYS 38 -8.750 -6.815 -12.170 345 1HE LYS 38 2HE LYS 38 -8.766 -4.453 -12.875 346 2HE LYS 38 1HE LYS 38 -7.275 -4.185 -11.976 347 1HZ LYS 38 1HZ LYS 38 -6.335 -6.044 -13.466 348 2HZ LYS 38 2HZ LYS 38 -6.556 -4.521 -14.105 349 3HZ LYS 38 3HZ LYS 38 -7.682 -5.742 -14.458 350 H GLY 39 H GLY 39 -5.513 -5.476 -6.961 351 1HA GLY 39 2HA GLY 39 -5.833 -6.268 -4.830 352 2HA GLY 39 1HA GLY 39 -7.556 -6.352 -5.108 353 H GLY 40 H GLY 40 -4.580 -7.893 -6.235 354 1HA GLY 40 2HA GLY 40 -5.969 -10.341 -6.903 355 2HA GLY 40 1HA GLY 40 -4.241 -10.045 -7.052 356 H LYS 41 H LYS 41 -6.791 -10.678 -4.765 357 HA LYS 41 HA LYS 41 -6.978 -11.830 -2.874 358 1HB LYS 41 2HB LYS 41 -5.789 -13.650 -4.125 359 2HB LYS 41 1HB LYS 41 -4.271 -13.050 -3.480 360 1HG LYS 41 2HG LYS 41 -5.013 -13.567 -1.218 361 2HG LYS 41 1HG LYS 41 -6.560 -14.138 -1.851 362 1HD LYS 41 2HD LYS 41 -5.337 -15.822 -3.191 363 2HD LYS 41 1HD LYS 41 -3.837 -15.290 -2.433 364 1HE LYS 41 2HE LYS 41 -6.227 -16.442 -1.005 365 2HE LYS 41 1HE LYS 41 -4.744 -17.309 -1.383 366 1HZ LYS 41 1HZ LYS 41 -4.958 -14.952 0.428 367 2HZ LYS 41 2HZ LYS 41 -3.534 -15.745 0.076 368 3HZ LYS 41 3HZ LYS 41 -4.771 -16.554 0.888 369 H ASN 42 H ASN 42 -6.986 -9.975 -1.831 370 HA ASN 42 HA ASN 42 -6.465 -8.343 -0.385 371 1HB ASN 42 2HB ASN 42 -4.539 -10.402 0.747 372 2HB ASN 42 1HB ASN 42 -4.996 -8.907 1.555 373 1HD2 ASN 42 1HD2 ASN 42 -7.063 -8.729 2.441 374 2HD2 ASN 42 2HD2 ASN 42 -8.109 -10.099 2.610 375 H GLU 43 H GLU 43 -5.680 -7.176 -2.197 376 HA GLU 43 HA GLU 43 -2.862 -6.577 -1.866 377 1HB GLU 43 2HB GLU 43 -3.479 -8.374 -3.645 378 2HB GLU 43 1HB GLU 43 -4.086 -7.011 -4.544 379 1HG GLU 43 2HG GLU 43 -2.036 -6.148 -4.947 380 2HG GLU 43 1HG GLU 43 -1.317 -6.883 -3.506 381 H LEU 44 H LEU 44 -2.553 -4.731 -3.717 382 HA LEU 44 HA LEU 44 -4.457 -2.648 -2.951 383 1HB LEU 44 2HB LEU 44 -1.687 -2.779 -3.097 384 2HB LEU 44 1HB LEU 44 -2.126 -1.965 -4.584 385 HG LEU 44 HG LEU 44 -2.739 -1.042 -1.776 386 1HD1 LEU 44 1HD1 LEU 44 -1.321 0.792 -2.328 387 2HD1 LEU 44 2HD1 LEU 44 -0.972 0.028 -3.896 388 3HD1 LEU 44 3HD1 LEU 44 -0.497 -0.775 -2.373 389 1HD2 LEU 44 1HD2 LEU 44 -4.565 -0.359 -3.233 390 2HD2 LEU 44 2HD2 LEU 44 -3.379 0.350 -4.357 391 3HD2 LEU 44 3HD2 LEU 44 -3.562 1.005 -2.731 392 H SER 45 H SER 45 -5.254 -1.287 -4.623 393 HA SER 45 HA SER 45 -5.267 -2.576 -7.195 394 1HB SER 45 2HB SER 45 -7.089 -0.374 -6.177 395 2HB SER 45 1HB SER 45 -7.291 -1.287 -7.678 396 HG SER 45 HG SER 45 -7.406 -2.250 -5.027 397 H PHE 46 H PHE 46 -3.935 -1.806 -8.646 398 HA PHE 46 HA PHE 46 -3.409 1.002 -8.830 399 1HB PHE 46 2HB PHE 46 -0.909 0.535 -8.945 400 2HB PHE 46 1HB PHE 46 -1.645 0.545 -7.346 401 HD1 PHE 46 1HD PHE 46 -0.126 -1.477 -9.988 402 HD2 PHE 46 2HD PHE 46 -1.722 -1.469 -6.063 403 HE1 PHE 46 1HE PHE 46 0.929 -3.653 -9.565 404 HE2 PHE 46 2HE PHE 46 -0.684 -3.637 -5.631 405 HZ PHE 46 HZ PHE 46 0.649 -4.736 -7.380 406 H LYS 47 H LYS 47 -2.357 1.545 -10.738 407 HA LYS 47 HA LYS 47 -3.014 -0.380 -12.837 408 1HB LYS 47 2HB LYS 47 -2.868 2.621 -12.784 409 2HB LYS 47 1HB LYS 47 -3.168 1.686 -14.258 410 1HG LYS 47 2HG LYS 47 -5.229 0.801 -13.269 411 2HG LYS 47 1HG LYS 47 -4.910 1.705 -11.789 412 1HD LYS 47 2HD LYS 47 -5.105 3.801 -13.024 413 2HD LYS 47 1HD LYS 47 -5.366 2.905 -14.520 414 1HE LYS 47 2HE LYS 47 -7.156 2.713 -12.094 415 2HE LYS 47 1HE LYS 47 -7.456 3.788 -13.455 416 1HZ LYS 47 1HZ LYS 47 -8.711 1.686 -13.592 417 2HZ LYS 47 2HZ LYS 47 -7.292 0.800 -13.701 418 3HZ LYS 47 3HZ LYS 47 -7.690 1.925 -14.898 419 H GLN 48 H GLN 48 -1.502 -0.678 -14.515 420 HA GLN 48 HA GLN 48 1.203 -0.603 -13.970 421 1HB GLN 48 2HB GLN 48 -0.072 -1.883 -15.777 422 2HB GLN 48 1HB GLN 48 -0.077 -0.406 -16.714 423 1HG GLN 48 2HG GLN 48 2.429 -1.808 -15.819 424 2HG GLN 48 1HG GLN 48 1.622 -2.138 -17.342 425 1HE2 GLN 48 1HE2 GLN 48 1.720 -0.647 -18.949 426 2HE2 GLN 48 2HE2 GLN 48 2.849 0.661 -18.968 427 H GLY 49 H GLY 49 2.445 1.094 -13.637 428 1HA GLY 49 2HA GLY 49 3.513 3.163 -14.152 429 2HA GLY 49 1HA GLY 49 2.143 3.584 -15.175 430 H GLU 50 H GLU 50 1.491 2.337 -12.066 431 HA GLU 50 HA GLU 50 -0.045 4.604 -11.254 432 1HB GLU 50 2HB GLU 50 -0.501 2.226 -10.665 433 2HB GLU 50 1HB GLU 50 0.884 2.271 -9.594 434 1HG GLU 50 2HG GLU 50 -1.109 2.530 -8.307 435 2HG GLU 50 1HG GLU 50 -0.224 4.058 -8.326 436 H GLN 51 H GLN 51 2.941 3.232 -10.279 437 HA GLN 51 HA GLN 51 4.726 3.846 -9.032 438 1HB GLN 51 2HB GLN 51 4.667 6.069 -10.166 439 2HB GLN 51 1HB GLN 51 3.536 6.641 -8.947 440 1HG GLN 51 2HG GLN 51 5.226 6.346 -7.223 441 2HG GLN 51 1HG GLN 51 6.357 5.734 -8.422 442 1HE2 GLN 51 1HE2 GLN 51 4.170 8.404 -9.073 443 2HE2 GLN 51 2HE2 GLN 51 5.384 9.620 -9.087 444 H ILE 52 H ILE 52 4.837 2.932 -7.247 445 HA ILE 52 HA ILE 52 2.776 3.334 -5.193 446 HB ILE 52 HB ILE 52 4.372 0.825 -5.776 447 1HG1 ILE 52 2HG1 ILE 52 1.706 1.709 -6.894 448 2HG1 ILE 52 1HG1 ILE 52 3.182 1.210 -7.719 449 1HG2 ILE 52 1HG2 ILE 52 2.609 -0.305 -4.489 450 2HG2 ILE 52 2HG2 ILE 52 1.828 1.248 -4.197 451 3HG2 ILE 52 3HG2 ILE 52 3.425 0.926 -3.524 452 1HD1 ILE 52 1HD1 ILE 52 2.902 -1.034 -6.989 453 2HD1 ILE 52 2HD1 ILE 52 1.456 -0.474 -7.832 454 3HD1 ILE 52 3HD1 ILE 52 1.465 -0.591 -6.073 455 H GLU 53 H GLU 53 3.720 2.905 -2.999 456 HA GLU 53 HA GLU 53 6.637 3.367 -2.923 457 1HB GLU 53 2HB GLU 53 4.835 3.904 -0.604 458 2HB GLU 53 1HB GLU 53 6.408 4.494 -1.055 459 1HG GLU 53 2HG GLU 53 5.611 5.943 -2.722 460 2HG GLU 53 1HG GLU 53 3.979 5.286 -2.613 461 H ILE 54 H ILE 54 7.794 1.830 -1.900 462 HA ILE 54 HA ILE 54 6.301 -0.426 -0.799 463 HB ILE 54 HB ILE 54 8.119 -1.003 -2.438 464 1HG1 ILE 54 2HG1 ILE 54 9.380 -2.634 -1.030 465 2HG1 ILE 54 1HG1 ILE 54 8.625 -1.910 0.384 466 1HG2 ILE 54 1HG2 ILE 54 10.013 0.172 -0.463 467 2HG2 ILE 54 2HG2 ILE 54 9.626 0.799 -2.067 468 3HG2 ILE 54 3HG2 ILE 54 10.442 -0.756 -1.899 469 1HD1 ILE 54 1HD1 ILE 54 7.197 -3.251 -1.878 470 2HD1 ILE 54 2HD1 ILE 54 6.449 -2.531 -0.444 471 3HD1 ILE 54 3HD1 ILE 54 7.515 -3.926 -0.279 472 H ILE 55 H ILE 55 6.080 -0.672 1.284 473 HA ILE 55 HA ILE 55 7.777 0.989 2.973 474 HB ILE 55 HB ILE 55 5.901 0.840 4.724 475 1HG1 ILE 55 2HG1 ILE 55 4.625 -0.875 3.254 476 2HG1 ILE 55 1HG1 ILE 55 3.694 0.368 4.083 477 1HG2 ILE 55 1HG2 ILE 55 6.523 2.905 3.666 478 2HG2 ILE 55 2HG2 ILE 55 4.768 2.819 3.816 479 3HG2 ILE 55 3HG2 ILE 55 5.534 2.521 2.255 480 1HD1 ILE 55 1HD1 ILE 55 2.912 0.010 1.818 481 2HD1 ILE 55 2HD1 ILE 55 4.531 0.349 1.196 482 3HD1 ILE 55 3HD1 ILE 55 3.606 1.626 1.982 483 H ARG 56 H ARG 56 6.392 -2.278 2.790 484 HA ARG 56 HA ARG 56 8.600 -2.982 4.499 485 1HB ARG 56 2HB ARG 56 6.533 -3.009 6.087 486 2HB ARG 56 1HB ARG 56 5.870 -4.178 4.993 487 1HG ARG 56 2HG ARG 56 7.197 -5.838 5.551 488 2HG ARG 56 1HG ARG 56 8.555 -4.823 6.053 489 1HD ARG 56 2HD ARG 56 5.962 -5.156 7.573 490 2HD ARG 56 1HD ARG 56 7.415 -6.105 7.888 491 HE ARG 56 HE ARG 56 8.045 -3.372 7.958 492 1HH1 ARG 56 1HH1 ARG 56 6.328 -5.812 9.915 493 2HH1 ARG 56 2HH1 ARG 56 6.584 -5.006 11.375 494 1HH2 ARG 56 1HH2 ARG 56 8.457 -2.344 9.921 495 2HH2 ARG 56 2HH2 ARG 56 7.840 -2.926 11.406 496 H ILE 57 H ILE 57 9.636 -4.701 4.014 497 HA ILE 57 HA ILE 57 8.717 -6.360 1.777 498 HB ILE 57 HB ILE 57 11.243 -6.502 1.177 499 1HG1 ILE 57 2HG1 ILE 57 12.007 -5.066 3.104 500 2HG1 ILE 57 1HG1 ILE 57 12.623 -4.578 1.531 501 1HG2 ILE 57 1HG2 ILE 57 9.625 -5.735 -0.361 502 2HG2 ILE 57 2HG2 ILE 57 11.058 -4.707 -0.449 503 3HG2 ILE 57 3HG2 ILE 57 9.611 -4.136 0.384 504 1HD1 ILE 57 1HD1 ILE 57 10.960 -2.797 1.437 505 2HD1 ILE 57 2HD1 ILE 57 11.927 -2.649 2.933 506 3HD1 ILE 57 3HD1 ILE 57 10.304 -3.346 2.968 507 H THR 58 H THR 58 10.207 -6.211 4.883 508 HA THR 58 HA THR 58 11.054 -8.951 4.577 509 HB THR 58 HB THR 58 12.043 -8.470 6.945 510 HG1 THR 58 1HG THR 58 12.715 -5.991 6.377 511 1HG2 THR 58 1HG2 THR 58 13.166 -7.313 4.402 512 2HG2 THR 58 2HG2 THR 58 13.290 -8.988 4.936 513 3HG2 THR 58 3HG2 THR 58 14.103 -7.711 5.851 514 H ASP 59 H ASP 59 10.498 -10.558 5.842 515 HA ASP 59 HA ASP 59 9.106 -11.946 6.854 516 1HB ASP 59 2HB ASP 59 9.865 -10.755 8.899 517 2HB ASP 59 1HB ASP 59 8.506 -9.646 8.736 518 H ASN 60 H ASN 60 8.088 -11.749 4.912 519 HA ASN 60 HA ASN 60 5.579 -10.279 4.711 520 1HB ASN 60 2HB ASN 60 6.609 -12.347 2.773 521 2HB ASN 60 1HB ASN 60 5.452 -11.076 2.485 522 1HD2 ASN 60 1HD2 ASN 60 6.148 -9.050 1.985 523 2HD2 ASN 60 2HD2 ASN 60 7.820 -8.671 1.718 524 HA PRO 61 HA PRO 61 3.179 -13.656 6.436 525 1HB PRO 61 2HB PRO 61 0.809 -12.931 5.116 526 2HB PRO 61 1HB PRO 61 1.314 -12.369 6.713 527 1HG PRO 61 2HG PRO 61 1.563 -11.028 4.061 528 2HG PRO 61 1HG PRO 61 1.244 -10.321 5.653 529 1HD PRO 61 2HD PRO 61 3.652 -10.128 4.499 530 2HD PRO 61 1HD PRO 61 3.480 -10.345 6.253 531 H GLU 62 H GLU 62 2.054 -12.906 3.129 532 HA GLU 62 HA GLU 62 2.048 -15.772 2.528 533 1HB GLU 62 2HB GLU 62 0.984 -13.439 0.938 534 2HB GLU 62 1HB GLU 62 0.812 -15.130 0.495 535 1HG GLU 62 2HG GLU 62 -0.479 -15.518 2.525 536 2HG GLU 62 1HG GLU 62 -0.345 -13.805 2.936 537 H GLY 63 H GLY 63 4.171 -13.330 2.306 538 1HA GLY 63 2HA GLY 63 6.316 -13.675 1.254 539 2HA GLY 63 1HA GLY 63 5.483 -14.491 -0.068 540 H LYS 64 H LYS 64 3.406 -12.302 0.269 541 HA LYS 64 HA LYS 64 4.487 -10.628 -1.763 542 1HB LYS 64 2HB LYS 64 2.278 -9.640 -1.881 543 2HB LYS 64 1HB LYS 64 2.129 -11.391 -1.832 544 1HG LYS 64 2HG LYS 64 1.870 -10.562 0.807 545 2HG LYS 64 1HG LYS 64 1.024 -9.329 -0.123 546 1HD LYS 64 2HD LYS 64 0.505 -12.313 -0.154 547 2HD LYS 64 1HD LYS 64 -0.561 -11.059 0.461 548 1HE LYS 64 2HE LYS 64 0.239 -11.312 -2.450 549 2HE LYS 64 1HE LYS 64 -1.188 -12.065 -1.747 550 1HZ LYS 64 1HZ LYS 64 -1.494 -9.864 -2.945 551 2HZ LYS 64 2HZ LYS 64 -0.765 -9.106 -1.641 552 3HZ LYS 64 3HZ LYS 64 -2.188 -9.969 -1.426 553 H TRP 65 H TRP 65 4.520 -8.296 -1.665 554 HA TRP 65 HA TRP 65 5.885 -7.370 0.768 555 1HB TRP 65 2HB TRP 65 5.662 -6.244 -2.017 556 2HB TRP 65 1HB TRP 65 6.373 -5.336 -0.703 557 HD1 TRP 65 HD TRP 65 7.916 -8.143 0.360 558 HE1 TRP 65 1HE TRP 65 10.082 -8.755 -0.862 559 HE3 TRP 65 3HE TRP 65 7.245 -5.385 -3.928 560 HZ2 TRP 65 2HZ TRP 65 11.346 -8.138 -3.315 561 HZ3 TRP 65 3HZ TRP 65 8.983 -5.460 -5.634 562 HH2 TRP 65 HH TRP 65 10.989 -6.803 -5.341 563 H LEU 66 H LEU 66 5.497 -4.891 1.153 564 HA LEU 66 HA LEU 66 2.589 -4.501 1.140 565 1HB LEU 66 2HB LEU 66 3.582 -4.725 3.394 566 2HB LEU 66 1HB LEU 66 4.631 -3.362 3.047 567 HG LEU 66 HG LEU 66 2.663 -1.904 2.845 568 1HD1 LEU 66 1HD1 LEU 66 1.063 -3.568 2.138 569 2HD1 LEU 66 2HD1 LEU 66 0.499 -2.714 3.586 570 3HD1 LEU 66 3HD1 LEU 66 1.163 -4.343 3.717 571 1HD2 LEU 66 1HD2 LEU 66 3.822 -2.107 4.967 572 2HD2 LEU 66 2HD2 LEU 66 2.783 -3.465 5.410 573 3HD2 LEU 66 3HD2 LEU 66 2.093 -1.855 5.201 574 H GLY 67 H GLY 67 1.995 -3.049 -0.331 575 1HA GLY 67 2HA GLY 67 3.837 -0.841 -0.838 576 2HA GLY 67 1HA GLY 67 2.857 -1.582 -2.114 577 H ARG 68 H ARG 68 2.877 1.158 -1.349 578 HA ARG 68 HA ARG 68 0.048 1.471 -0.588 579 1HB ARG 68 2HB ARG 68 1.304 1.879 1.398 580 2HB ARG 68 1HB ARG 68 2.394 3.014 0.591 581 1HG ARG 68 2HG ARG 68 0.308 4.434 0.240 582 2HG ARG 68 1HG ARG 68 -0.516 3.344 1.347 583 1HD ARG 68 2HD ARG 68 0.225 5.231 2.564 584 2HD ARG 68 1HD ARG 68 1.201 3.846 3.041 585 HE ARG 68 HE ARG 68 2.458 5.320 0.963 586 1HH1 ARG 68 1HH1 ARG 68 1.725 5.663 4.417 587 2HH1 ARG 68 2HH1 ARG 68 3.202 6.483 4.751 588 1HH2 ARG 68 1HH2 ARG 68 4.260 6.470 1.391 589 2HH2 ARG 68 2HH2 ARG 68 4.707 7.028 2.946 590 H THR 69 H THR 69 -0.900 3.247 -1.326 591 HA THR 69 HA THR 69 0.345 4.583 -3.653 592 HB THR 69 HB THR 69 -2.584 4.571 -2.796 593 HG1 THR 69 1HG THR 69 -1.081 2.600 -3.822 594 1HG2 THR 69 1HG2 THR 69 -1.264 5.081 -5.469 595 2HG2 THR 69 2HG2 THR 69 -1.927 6.320 -4.404 596 3HG2 THR 69 3HG2 THR 69 -2.998 5.132 -5.148 597 H ALA 70 H ALA 70 0.026 6.998 -3.702 598 HA ALA 70 HA ALA 70 0.994 8.250 -1.466 599 1HB ALA 70 1HB ALA 70 1.032 9.188 -3.732 600 2HB ALA 70 2HB ALA 70 0.467 10.356 -2.535 601 3HB ALA 70 3HB ALA 70 -0.690 9.551 -3.596 602 H ARG 71 H ARG 71 -2.365 7.749 -2.235 603 HA ARG 71 HA ARG 71 -3.436 9.478 -0.218 604 1HB ARG 71 2HB ARG 71 -5.584 8.455 -0.702 605 2HB ARG 71 1HB ARG 71 -4.704 8.830 -2.181 606 1HG ARG 71 2HG ARG 71 -4.122 6.534 -2.504 607 2HG ARG 71 1HG ARG 71 -4.814 6.097 -0.940 608 1HD ARG 71 2HD ARG 71 -6.968 6.740 -1.657 609 2HD ARG 71 1HD ARG 71 -6.370 7.274 -3.243 610 HE ARG 71 HE ARG 71 -6.050 4.514 -2.341 611 1HH1 ARG 71 1HH1 ARG 71 -7.441 6.816 -4.660 612 2HH1 ARG 71 2HH1 ARG 71 -8.167 5.652 -5.647 613 1HH2 ARG 71 1HH2 ARG 71 -7.063 2.851 -3.745 614 2HH2 ARG 71 2HH2 ARG 71 -7.920 3.379 -5.140 615 H GLY 72 H GLY 72 -1.958 6.485 0.029 616 1HA GLY 72 2HA GLY 72 -1.561 5.242 1.907 617 2HA GLY 72 1HA GLY 72 -2.710 6.189 2.813 618 H SER 73 H SER 73 -2.194 3.474 0.785 619 HA SER 73 HA SER 73 -4.534 2.150 1.551 620 1HB SER 73 2HB SER 73 -3.714 2.448 -1.333 621 2HB SER 73 1HB SER 73 -5.130 1.621 -0.733 622 HG SER 73 HG SER 73 -6.118 3.519 -0.261 623 H TYR 74 H TYR 74 -3.666 0.307 1.886 624 HA TYR 74 HA TYR 74 -0.862 -0.154 1.122 625 1HB TYR 74 2HB TYR 74 -2.422 -0.440 3.478 626 2HB TYR 74 1HB TYR 74 -1.036 -1.546 3.375 627 HD1 TYR 74 1HD TYR 74 1.204 -0.562 3.673 628 HD2 TYR 74 2HD TYR 74 -2.247 1.887 4.004 629 HE1 TYR 74 1HE TYR 74 2.548 1.152 4.794 630 HE2 TYR 74 2HE TYR 74 -0.901 3.625 5.126 631 HH TYR 74 HH TYR 74 2.553 3.499 5.236 632 H GLY 75 H GLY 75 -1.498 -1.400 -0.565 633 1HA GLY 75 2HA GLY 75 -3.002 -3.769 0.163 634 2HA GLY 75 1HA GLY 75 -2.823 -3.131 -1.477 635 H TYR 76 H TYR 76 -1.479 -4.735 1.021 636 HA TYR 76 HA TYR 76 1.098 -5.308 0.401 637 1HB TYR 76 2HB TYR 76 -0.097 -7.862 1.023 638 2HB TYR 76 1HB TYR 76 0.872 -6.825 2.067 639 HD1 TYR 76 1HD TYR 76 -0.242 -5.270 3.670 640 HD2 TYR 76 2HD TYR 76 -2.489 -7.819 1.119 641 HE1 TYR 76 1HE TYR 76 -2.255 -4.787 4.958 642 HE2 TYR 76 2HE TYR 76 -4.510 -7.337 2.411 643 HH TYR 76 HH TYR 76 -4.736 -4.801 4.552 644 H ILE 77 H ILE 77 1.722 -5.314 -1.588 645 HA ILE 77 HA ILE 77 0.502 -6.327 -3.845 646 HB ILE 77 HB ILE 77 2.843 -6.005 -4.682 647 1HG1 ILE 77 2HG1 ILE 77 3.007 -4.547 -2.044 648 2HG1 ILE 77 1HG1 ILE 77 4.021 -5.861 -2.616 649 1HG2 ILE 77 1HG2 ILE 77 2.339 -3.549 -4.887 650 2HG2 ILE 77 2HG2 ILE 77 1.105 -3.760 -3.625 651 3HG2 ILE 77 3HG2 ILE 77 0.930 -4.577 -5.185 652 1HD1 ILE 77 1HD1 ILE 77 3.908 -3.089 -3.745 653 2HD1 ILE 77 2HD1 ILE 77 4.927 -4.410 -4.327 654 3HD1 ILE 77 3HD1 ILE 77 5.178 -3.751 -2.704 655 H LYS 78 H LYS 78 0.874 -8.059 -4.973 656 HA LYS 78 HA LYS 78 2.747 -9.902 -3.987 657 1HB LYS 78 2HB LYS 78 2.126 -11.273 -5.865 658 2HB LYS 78 1HB LYS 78 0.650 -10.624 -5.178 659 1HG LYS 78 2HG LYS 78 0.588 -8.945 -6.930 660 2HG LYS 78 1HG LYS 78 2.137 -9.635 -7.483 661 1HD LYS 78 2HD LYS 78 0.431 -10.581 -8.937 662 2HD LYS 78 1HD LYS 78 0.872 -11.838 -7.792 663 1HE LYS 78 2HE LYS 78 -1.599 -10.089 -7.724 664 2HE LYS 78 1HE LYS 78 -1.533 -11.798 -8.121 665 1HZ LYS 78 1HZ LYS 78 -0.760 -12.157 -5.741 666 2HZ LYS 78 2HZ LYS 78 -2.325 -11.566 -5.915 667 3HZ LYS 78 3HZ LYS 78 -1.113 -10.508 -5.493 668 H THR 79 H THR 79 4.434 -9.425 -4.202 669 HA THR 79 HA THR 79 6.226 -7.694 -5.135 670 HB THR 79 HB THR 79 8.015 -9.339 -5.140 671 HG1 THR 79 1HG THR 79 6.710 -11.585 -4.623 672 1HG2 THR 79 1HG2 THR 79 5.864 -10.064 -3.148 673 2HG2 THR 79 2HG2 THR 79 7.027 -8.748 -2.977 674 3HG2 THR 79 3HG2 THR 79 7.582 -10.422 -2.982 675 H THR 80 H THR 80 4.829 -10.127 -7.205 676 HA THR 80 HA THR 80 6.532 -9.577 -9.437 677 HB THR 80 HB THR 80 5.679 -11.828 -8.922 678 HG1 THR 80 1HG THR 80 6.138 -11.132 -11.092 679 1HG2 THR 80 1HG2 THR 80 3.295 -12.352 -9.323 680 2HG2 THR 80 2HG2 THR 80 2.992 -10.616 -9.556 681 3HG2 THR 80 3HG2 THR 80 3.550 -11.208 -8.013 682 H ALA 81 H ALA 81 3.908 -7.816 -8.147 683 HA ALA 81 HA ALA 81 2.891 -7.107 -10.787 684 1HB ALA 81 1HB ALA 81 1.932 -6.292 -8.042 685 2HB ALA 81 2HB ALA 81 1.258 -7.593 -9.022 686 3HB ALA 81 3HB ALA 81 1.139 -5.922 -9.572 687 H VAL 82 H VAL 82 5.218 -6.154 -8.588 688 HA VAL 82 HA VAL 82 5.390 -3.511 -9.844 689 HB VAL 82 HB VAL 82 6.127 -2.495 -7.747 690 1HG1 VAL 82 1HG1 VAL 82 3.992 -2.378 -6.580 691 2HG1 VAL 82 2HG1 VAL 82 3.396 -3.747 -7.516 692 3HG1 VAL 82 3HG1 VAL 82 3.812 -2.230 -8.318 693 1HG2 VAL 82 1HG2 VAL 82 5.800 -3.644 -5.596 694 2HG2 VAL 82 2HG2 VAL 82 6.993 -4.450 -6.610 695 3HG2 VAL 82 3HG2 VAL 82 5.368 -5.118 -6.465 696 H GLU 83 H GLU 83 7.459 -2.579 -9.577 697 HA GLU 83 HA GLU 83 9.626 -4.318 -8.734 698 1HB GLU 83 2HB GLU 83 9.468 -2.748 -11.285 699 2HB GLU 83 1HB GLU 83 10.963 -3.478 -10.699 700 1HG GLU 83 2HG GLU 83 9.865 -5.701 -10.819 701 2HG GLU 83 1HG GLU 83 8.450 -4.924 -11.514 702 H ILE 84 H ILE 84 10.765 -3.195 -7.291 703 HA ILE 84 HA ILE 84 10.016 -0.513 -6.805 704 HB ILE 84 HB ILE 84 11.618 -0.420 -5.033 705 1HG1 ILE 84 2HG1 ILE 84 12.637 -3.151 -5.782 706 2HG1 ILE 84 1HG1 ILE 84 13.403 -1.678 -6.376 707 1HG2 ILE 84 1HG2 ILE 84 9.556 -1.610 -4.573 708 2HG2 ILE 84 2HG2 ILE 84 10.889 -2.337 -3.679 709 3HG2 ILE 84 3HG2 ILE 84 10.276 -3.118 -5.138 710 1HD1 ILE 84 1HD1 ILE 84 14.515 -2.515 -4.403 711 2HD1 ILE 84 2HD1 ILE 84 12.971 -2.373 -3.509 712 3HD1 ILE 84 3HD1 ILE 84 13.760 -0.934 -4.149 713 H ASP 85 H ASP 85 11.518 1.254 -6.638 714 HA ASP 85 HA ASP 85 13.240 1.305 -9.004 715 1HB ASP 85 2HB ASP 85 11.525 3.107 -8.722 716 2HB ASP 85 1HB ASP 85 12.358 3.614 -7.259 717 H TYR 86 H TYR 86 15.248 0.869 -8.686 718 HA TYR 86 HA TYR 86 16.505 1.015 -6.116 719 1HB TYR 86 2HB TYR 86 17.670 0.569 -8.872 720 2HB TYR 86 1HB TYR 86 18.572 0.432 -7.369 721 HD1 TYR 86 1HD TYR 86 18.023 -1.375 -5.765 722 HD2 TYR 86 2HD TYR 86 16.266 -1.161 -9.626 723 HE1 TYR 86 1HE TYR 86 17.350 -3.729 -5.583 724 HE2 TYR 86 2HE TYR 86 15.588 -3.498 -9.453 725 HH TYR 86 HH TYR 86 15.640 -5.177 -6.546 726 H ASP 87 H ASP 87 18.555 2.305 -5.856 727 HA ASP 87 HA ASP 87 17.821 5.010 -6.195 728 1HB ASP 87 2HB ASP 87 19.199 4.151 -4.290 729 2HB ASP 87 1HB ASP 87 20.550 3.983 -5.408 730 H SER 88 H SER 88 17.693 5.765 -8.102 731 HA SER 88 HA SER 88 19.533 5.065 -10.200 732 1HB SER 88 2HB SER 88 17.198 6.981 -10.222 733 2HB SER 88 1HB SER 88 18.028 6.313 -11.626 734 HG SER 88 HG SER 88 16.885 4.552 -9.728 735 H LEU 89 H LEU 89 21.451 5.990 -9.779 736 HA LEU 89 HA LEU 89 21.599 8.851 -9.208 737 1HB LEU 89 2HB LEU 89 23.093 7.170 -8.053 738 2HB LEU 89 1HB LEU 89 23.841 6.856 -9.606 739 HG LEU 89 HG LEU 89 24.561 9.229 -9.695 740 1HD1 LEU 89 1HD1 LEU 89 23.499 9.300 -6.883 741 2HD1 LEU 89 2HD1 LEU 89 22.856 10.181 -8.270 742 3HD1 LEU 89 3HD1 LEU 89 24.465 10.561 -7.650 743 1HD2 LEU 89 1HD2 LEU 89 26.081 7.504 -8.894 744 2HD2 LEU 89 2HD2 LEU 89 25.455 7.696 -7.256 745 3HD2 LEU 89 3HD2 LEU 89 26.337 9.018 -8.027 746 H LYS 90 H LYS 90 22.199 6.455 -11.606 747 HA LYS 90 HA LYS 90 23.194 8.304 -13.593 748 1HB LYS 90 2HB LYS 90 22.334 5.403 -13.846 749 2HB LYS 90 1HB LYS 90 23.299 6.312 -15.003 750 1HG LYS 90 2HG LYS 90 25.122 6.473 -13.438 751 2HG LYS 90 1HG LYS 90 24.157 5.701 -12.187 752 1HD LYS 90 2HD LYS 90 25.700 4.101 -13.096 753 2HD LYS 90 1HD LYS 90 24.068 3.656 -13.581 754 1HE LYS 90 2HE LYS 90 24.438 4.556 -15.788 755 2HE LYS 90 1HE LYS 90 26.022 5.173 -15.308 756 1HZ LYS 90 1HZ LYS 90 26.234 3.077 -16.522 757 2HZ LYS 90 2HZ LYS 90 25.232 2.314 -15.395 758 3HZ LYS 90 3HZ LYS 90 26.731 2.895 -14.919 759 H LEU 91 H LEU 91 21.933 8.835 -15.468 760 HA LEU 91 HA LEU 91 19.111 8.787 -14.823 761 1HB LEU 91 2HB LEU 91 18.847 10.545 -16.597 762 2HB LEU 91 1HB LEU 91 19.820 11.014 -15.227 763 HG LEU 91 HG LEU 91 21.855 10.551 -16.690 764 1HD1 LEU 91 1HD1 LEU 91 21.531 10.652 -19.095 765 2HD1 LEU 91 2HD1 LEU 91 19.783 10.580 -18.869 766 3HD1 LEU 91 3HD1 LEU 91 20.790 9.210 -18.403 767 1HD2 LEU 91 1HD2 LEU 91 21.097 12.789 -16.142 768 2HD2 LEU 91 2HD2 LEU 91 19.953 12.746 -17.488 769 3HD2 LEU 91 3HD2 LEU 91 21.689 12.718 -17.801 770 H LYS 92 H LYS 92 17.558 8.581 -16.691 771 HA LYS 92 HA LYS 92 16.561 7.270 -18.194 772 1HB LYS 92 2HB LYS 92 19.367 6.666 -19.193 773 2HB LYS 92 1HB LYS 92 17.906 6.095 -19.973 774 1HG LYS 92 2HG LYS 92 17.250 8.435 -20.404 775 2HG LYS 92 1HG LYS 92 18.757 8.971 -19.657 776 1HD LYS 92 2HD LYS 92 20.040 7.739 -21.326 777 2HD LYS 92 1HD LYS 92 18.547 7.161 -22.058 778 1HE LYS 92 2HE LYS 92 17.939 9.480 -22.601 779 2HE LYS 92 1HE LYS 92 19.457 10.031 -21.890 780 1HZ LYS 92 1HZ LYS 92 20.659 8.743 -23.539 781 2HZ LYS 92 2HZ LYS 92 19.621 9.817 -24.331 782 3HZ LYS 92 3HZ LYS 92 19.216 8.186 -24.206 783 H LYS 93 H LYS 93 16.463 4.858 -18.932 784 HA LYS 93 HA LYS 93 17.351 3.299 -16.652 785 1HB LYS 93 2HB LYS 93 14.613 3.316 -17.861 786 2HB LYS 93 1HB LYS 93 15.204 1.890 -17.023 787 1HG LYS 93 2HG LYS 93 14.985 4.655 -15.835 788 2HG LYS 93 1HG LYS 93 13.872 3.311 -15.548 789 1HD LYS 93 2HD LYS 93 15.751 1.983 -14.651 790 2HD LYS 93 1HD LYS 93 16.816 3.364 -14.886 791 1HE LYS 93 2HE LYS 93 16.124 3.185 -12.563 792 2HE LYS 93 1HE LYS 93 15.491 4.655 -13.294 793 1HZ LYS 93 1HZ LYS 93 13.916 3.397 -11.858 794 2HZ LYS 93 2HZ LYS 93 13.859 2.179 -13.075 795 3HZ LYS 93 3HZ LYS 93 13.344 3.740 -13.397 796 H ASP 94 H ASP 94 19.098 3.124 -18.268 797 HA ASP 94 HA ASP 94 18.713 0.618 -19.779 798 1HB ASP 94 2HB ASP 94 20.858 2.760 -20.033 799 2HB ASP 94 1HB ASP 94 20.964 1.194 -20.818 800 H LEU 95 H LEU 95 20.402 2.363 -17.342 801 HA LEU 95 HA LEU 95 21.446 1.828 -15.494 802 1HB LEU 95 2HB LEU 95 19.829 0.003 -15.185 803 2HB LEU 95 1HB LEU 95 20.835 -1.055 -16.152 804 HG LEU 95 HG LEU 95 22.618 -0.874 -14.436 805 1HD1 LEU 95 1HD1 LEU 95 22.078 0.044 -12.243 806 2HD1 LEU 95 2HD1 LEU 95 20.521 0.598 -12.850 807 3HD1 LEU 95 3HD1 LEU 95 22.013 1.285 -13.495 808 1HD2 LEU 95 1HD2 LEU 95 19.939 -1.828 -13.435 809 2HD2 LEU 95 2HD2 LEU 95 21.510 -2.296 -12.780 810 3HD2 LEU 95 3HD2 LEU 95 21.068 -2.755 -14.423 811 H GLU 96 H GLU 96 22.431 -0.889 -17.532 812 HA GLU 96 HA GLU 96 25.143 0.170 -17.483 813 1HB GLU 96 2HB GLU 96 24.666 -1.524 -15.582 814 2HB GLU 96 1HB GLU 96 24.544 -2.723 -16.858 815 1HG GLU 96 2HG GLU 96 26.730 -2.841 -15.942 816 2HG GLU 96 1HG GLU 96 26.861 -2.121 -17.546 Start of MODEL 14 1 1H GLU 1 1HT GLU 1 -29.472 6.521 5.561 2 2H GLU 1 2HT GLU 1 -31.136 6.255 5.566 3 3H GLU 1 3HT GLU 1 -30.520 7.767 5.095 4 HA GLU 1 HA GLU 1 -31.182 6.379 3.164 5 1HB GLU 1 2HB GLU 1 -28.168 6.504 3.444 6 2HB GLU 1 1HB GLU 1 -29.077 6.427 1.951 7 1HG GLU 1 2HG GLU 1 -29.890 8.671 2.305 8 2HG GLU 1 1HG GLU 1 -29.068 8.740 3.873 9 H LYS 2 H LYS 2 -30.262 4.471 1.887 10 HA LYS 2 HA LYS 2 -29.772 2.183 3.576 11 1HB LYS 2 2HB LYS 2 -29.468 2.494 0.561 12 2HB LYS 2 1HB LYS 2 -29.485 0.972 1.435 13 1HG LYS 2 2HG LYS 2 -31.812 1.331 2.050 14 2HG LYS 2 1HG LYS 2 -31.797 2.888 1.217 15 1HD LYS 2 2HD LYS 2 -31.254 1.709 -0.890 16 2HD LYS 2 1HD LYS 2 -31.385 0.172 -0.033 17 1HE LYS 2 2HE LYS 2 -33.594 2.207 -0.311 18 2HE LYS 2 1HE LYS 2 -33.425 0.761 -1.296 19 1HZ LYS 2 1HZ LYS 2 -33.690 0.624 1.667 20 2HZ LYS 2 2HZ LYS 2 -33.957 -0.609 0.522 21 3HZ LYS 2 3HZ LYS 2 -35.001 0.690 0.629 22 H LYS 3 H LYS 3 -27.794 1.799 4.382 23 HA LYS 3 HA LYS 3 -25.715 3.636 3.883 24 1HB LYS 3 2HB LYS 3 -26.190 2.397 6.043 25 2HB LYS 3 1HB LYS 3 -25.441 0.992 5.303 26 1HG LYS 3 2HG LYS 3 -23.343 2.175 5.099 27 2HG LYS 3 1HG LYS 3 -24.090 3.644 5.737 28 1HD LYS 3 2HD LYS 3 -24.615 2.371 7.821 29 2HD LYS 3 1HD LYS 3 -23.663 1.033 7.177 30 1HE LYS 3 2HE LYS 3 -22.651 3.824 7.708 31 2HE LYS 3 1HE LYS 3 -22.368 2.418 8.730 32 1HZ LYS 3 1HZ LYS 3 -21.190 1.387 6.878 33 2HZ LYS 3 2HZ LYS 3 -20.476 2.829 7.339 34 3HZ LYS 3 3HZ LYS 3 -21.377 2.775 5.932 35 H GLU 4 H GLU 4 -23.862 3.477 2.817 36 HA GLU 4 HA GLU 4 -23.659 2.226 0.400 37 1HB GLU 4 2HB GLU 4 -21.291 2.984 2.126 38 2HB GLU 4 1HB GLU 4 -21.304 2.821 0.383 39 1HG GLU 4 2HG GLU 4 -21.267 5.132 0.820 40 2HG GLU 4 1HG GLU 4 -22.922 4.774 0.344 41 H GLN 5 H GLN 5 -23.762 0.119 0.057 42 HA GLN 5 HA GLN 5 -21.979 -1.623 1.600 43 1HB GLN 5 2HB GLN 5 -23.688 -3.409 1.434 44 2HB GLN 5 1HB GLN 5 -24.194 -2.036 2.404 45 1HG GLN 5 2HG GLN 5 -25.526 -1.212 0.508 46 2HG GLN 5 1HG GLN 5 -25.035 -2.622 -0.432 47 1HE2 GLN 5 1HE2 GLN 5 -27.702 -1.779 0.386 48 2HE2 GLN 5 2HE2 GLN 5 -28.364 -3.072 1.305 49 H LYS 6 H LYS 6 -22.331 -0.330 -1.281 50 HA LYS 6 HA LYS 6 -22.045 -2.651 -2.956 51 1HB LYS 6 2HB LYS 6 -22.995 -0.515 -3.823 52 2HB LYS 6 1HB LYS 6 -21.436 0.259 -3.582 53 1HG LYS 6 2HG LYS 6 -20.429 -1.178 -5.245 54 2HG LYS 6 1HG LYS 6 -21.945 -2.062 -5.434 55 1HD LYS 6 2HD LYS 6 -23.029 0.003 -6.222 56 2HD LYS 6 1HD LYS 6 -21.494 0.856 -6.061 57 1HE LYS 6 2HE LYS 6 -21.899 0.189 -8.379 58 2HE LYS 6 1HE LYS 6 -20.484 -0.630 -7.717 59 1HZ LYS 6 1HZ LYS 6 -21.851 -2.617 -7.375 60 2HZ LYS 6 2HZ LYS 6 -21.844 -2.163 -8.974 61 3HZ LYS 6 3HZ LYS 6 -23.199 -1.840 -8.022 62 H GLU 7 H GLU 7 -19.933 -0.051 -1.895 63 HA GLU 7 HA GLU 7 -17.577 -1.694 -2.393 64 1HB GLU 7 2HB GLU 7 -17.551 0.652 -3.158 65 2HB GLU 7 1HB GLU 7 -17.909 1.194 -1.527 66 1HG GLU 7 2HG GLU 7 -15.759 0.303 -0.774 67 2HG GLU 7 1HG GLU 7 -15.408 -0.207 -2.427 68 H LYS 8 H LYS 8 -19.209 0.189 0.062 69 HA LYS 8 HA LYS 8 -19.449 0.088 2.256 70 1HB LYS 8 2HB LYS 8 -20.435 -2.084 1.848 71 2HB LYS 8 1HB LYS 8 -18.855 -2.854 1.925 72 1HG LYS 8 2HG LYS 8 -18.650 -2.351 4.247 73 2HG LYS 8 1HG LYS 8 -20.096 -1.347 4.211 74 1HD LYS 8 2HD LYS 8 -21.445 -3.330 3.722 75 2HD LYS 8 1HD LYS 8 -19.987 -4.328 3.754 76 1HE LYS 8 2HE LYS 8 -21.156 -4.481 5.878 77 2HE LYS 8 1HE LYS 8 -19.601 -3.680 6.086 78 1HZ LYS 8 1HZ LYS 8 -22.305 -2.426 6.101 79 2HZ LYS 8 2HZ LYS 8 -20.918 -1.508 5.963 80 3HZ LYS 8 3HZ LYS 8 -21.146 -2.453 7.336 81 H GLU 9 H GLU 9 -18.194 1.243 3.349 82 HA GLU 9 HA GLU 9 -16.758 1.857 4.894 83 1HB GLU 9 2HB GLU 9 -15.618 -0.942 4.834 84 2HB GLU 9 1HB GLU 9 -15.170 0.305 5.984 85 1HG GLU 9 2HG GLU 9 -17.842 -1.032 5.688 86 2HG GLU 9 1HG GLU 9 -16.699 -1.209 7.014 87 H LYS 10 H LYS 10 -14.795 -0.310 2.917 88 HA LYS 10 HA LYS 10 -12.737 -0.073 2.020 89 1HB LYS 10 2HB LYS 10 -14.133 1.073 0.322 90 2HB LYS 10 1HB LYS 10 -13.876 2.599 1.151 91 1HG LYS 10 2HG LYS 10 -12.470 2.450 -0.803 92 2HG LYS 10 1HG LYS 10 -11.478 2.446 0.660 93 1HD LYS 10 2HD LYS 10 -11.294 0.004 0.511 94 2HD LYS 10 1HD LYS 10 -12.266 0.026 -0.959 95 1HE LYS 10 2HE LYS 10 -9.600 1.388 -0.595 96 2HE LYS 10 1HE LYS 10 -9.860 -0.140 -1.432 97 1HZ LYS 10 1HZ LYS 10 -9.718 1.654 -3.012 98 2HZ LYS 10 2HZ LYS 10 -10.959 2.508 -2.242 99 3HZ LYS 10 3HZ LYS 10 -11.291 1.063 -3.010 100 H LYS 11 H LYS 11 -11.479 -0.086 3.777 101 HA LYS 11 HA LYS 11 -10.826 2.503 4.998 102 1HB LYS 11 2HB LYS 11 -10.846 -0.263 6.200 103 2HB LYS 11 1HB LYS 11 -10.268 1.184 7.009 104 1HG LYS 11 2HG LYS 11 -12.507 2.140 6.893 105 2HG LYS 11 1HG LYS 11 -13.079 0.677 6.085 106 1HD LYS 11 2HD LYS 11 -12.531 -0.658 8.014 107 2HD LYS 11 1HD LYS 11 -11.800 0.734 8.815 108 1HE LYS 11 2HE LYS 11 -14.703 0.435 8.058 109 2HE LYS 11 1HE LYS 11 -14.032 0.286 9.683 110 1HZ LYS 11 1HZ LYS 11 -14.956 2.464 9.389 111 2HZ LYS 11 2HZ LYS 11 -14.094 2.703 7.981 112 3HZ LYS 11 3HZ LYS 11 -13.264 2.625 9.467 113 H GLU 12 H GLU 12 -8.675 2.097 6.284 114 HA GLU 12 HA GLU 12 -6.717 0.609 4.708 115 1HB GLU 12 2HB GLU 12 -5.161 2.568 4.911 116 2HB GLU 12 1HB GLU 12 -6.548 2.893 3.886 117 1HG GLU 12 2HG GLU 12 -7.620 4.035 5.828 118 2HG GLU 12 1HG GLU 12 -6.111 3.818 6.715 119 H GLN 13 H GLN 13 -8.207 0.316 7.171 120 HA GLN 13 HA GLN 13 -6.307 0.802 9.321 121 1HB GLN 13 2HB GLN 13 -8.682 1.385 9.647 122 2HB GLN 13 1HB GLN 13 -9.114 -0.301 9.416 123 1HG GLN 13 2HG GLN 13 -9.131 0.288 11.766 124 2HG GLN 13 1HG GLN 13 -7.875 -0.901 11.427 125 1HE2 GLN 13 1HE2 GLN 13 -6.726 -0.339 13.257 126 2HE2 GLN 13 2HE2 GLN 13 -5.849 1.141 13.397 127 H GLU 14 H GLU 14 -7.853 -1.759 7.689 128 HA GLU 14 HA GLU 14 -6.913 -3.854 9.426 129 1HB GLU 14 2HB GLU 14 -8.393 -3.855 6.824 130 2HB GLU 14 1HB GLU 14 -7.903 -5.336 7.640 131 1HG GLU 14 2HG GLU 14 -9.603 -3.208 8.904 132 2HG GLU 14 1HG GLU 14 -10.238 -4.641 8.090 133 H ILE 15 H ILE 15 -4.978 -2.190 7.868 134 HA ILE 15 HA ILE 15 -3.688 -4.234 6.243 135 HB ILE 15 HB ILE 15 -2.181 -2.474 5.470 136 1HG1 ILE 15 2HG1 ILE 15 -2.991 -0.009 6.289 137 2HG1 ILE 15 1HG1 ILE 15 -3.346 -0.934 7.737 138 1HG2 ILE 15 1HG2 ILE 15 -5.045 -1.560 5.467 139 2HG2 ILE 15 2HG2 ILE 15 -4.300 -2.691 4.341 140 3HG2 ILE 15 3HG2 ILE 15 -3.790 -1.003 4.359 141 1HD1 ILE 15 1HD1 ILE 15 -0.642 -0.742 6.432 142 2HD1 ILE 15 2HD1 ILE 15 -1.030 -1.639 7.901 143 3HD1 ILE 15 3HD1 ILE 15 -1.162 0.120 7.882 144 H LYS 16 H LYS 16 -3.556 -2.653 9.247 145 HA LYS 16 HA LYS 16 -0.861 -3.036 9.781 146 1HB LYS 16 2HB LYS 16 -1.398 -2.419 12.135 147 2HB LYS 16 1HB LYS 16 -1.960 -1.277 10.931 148 1HG LYS 16 2HG LYS 16 -4.225 -2.299 11.116 149 2HG LYS 16 1HG LYS 16 -3.608 -3.291 12.436 150 1HD LYS 16 2HD LYS 16 -3.570 -0.278 12.386 151 2HD LYS 16 1HD LYS 16 -4.808 -1.249 13.178 152 1HE LYS 16 2HE LYS 16 -3.141 -2.196 14.667 153 2HE LYS 16 1HE LYS 16 -1.860 -1.341 13.814 154 1HZ LYS 16 1HZ LYS 16 -2.843 0.750 14.516 155 2HZ LYS 16 2HZ LYS 16 -2.441 -0.221 15.841 156 3HZ LYS 16 3HZ LYS 16 -4.056 -0.061 15.373 157 H LYS 17 H LYS 17 -3.627 -4.926 10.612 158 HA LYS 17 HA LYS 17 -1.894 -6.847 11.969 159 1HB LYS 17 2HB LYS 17 -4.070 -6.204 13.003 160 2HB LYS 17 1HB LYS 17 -4.904 -6.911 11.627 161 1HG LYS 17 2HG LYS 17 -4.019 -9.102 12.203 162 2HG LYS 17 1HG LYS 17 -3.146 -8.396 13.563 163 1HD LYS 17 2HD LYS 17 -5.291 -7.687 14.532 164 2HD LYS 17 1HD LYS 17 -6.132 -8.476 13.190 165 1HE LYS 17 2HE LYS 17 -6.034 -9.863 15.244 166 2HE LYS 17 1HE LYS 17 -5.275 -10.621 13.846 167 1HZ LYS 17 1HZ LYS 17 -4.017 -10.712 16.046 168 2HZ LYS 17 2HZ LYS 17 -3.624 -9.081 15.782 169 3HZ LYS 17 3HZ LYS 17 -3.172 -10.255 14.682 170 H LYS 18 H LYS 18 -2.691 -6.215 8.917 171 HA LYS 18 HA LYS 18 -3.233 -8.934 8.090 172 1HB LYS 18 2HB LYS 18 -4.158 -6.779 7.012 173 2HB LYS 18 1HB LYS 18 -2.578 -6.650 6.257 174 1HG LYS 18 2HG LYS 18 -3.973 -7.676 4.678 175 2HG LYS 18 1HG LYS 18 -2.965 -8.965 5.337 176 1HD LYS 18 2HD LYS 18 -5.305 -9.680 5.104 177 2HD LYS 18 1HD LYS 18 -4.806 -9.670 6.795 178 1HE LYS 18 2HE LYS 18 -5.952 -7.583 7.183 179 2HE LYS 18 1HE LYS 18 -6.297 -7.406 5.466 180 1HZ LYS 18 1HZ LYS 18 -7.378 -9.624 7.146 181 2HZ LYS 18 2HZ LYS 18 -7.781 -9.223 5.543 182 3HZ LYS 18 3HZ LYS 18 -8.198 -8.190 6.786 183 H PHE 19 H PHE 19 -0.758 -6.506 7.133 184 HA PHE 19 HA PHE 19 1.075 -8.621 6.386 185 1HB PHE 19 2HB PHE 19 0.938 -6.253 5.276 186 2HB PHE 19 1HB PHE 19 1.805 -5.663 6.681 187 HD1 PHE 19 1HD PHE 19 2.133 -6.968 3.421 188 HD2 PHE 19 2HD PHE 19 4.085 -6.804 7.191 189 HE1 PHE 19 1HE PHE 19 4.291 -7.389 2.332 190 HE2 PHE 19 2HE PHE 19 6.237 -7.227 6.102 191 HZ PHE 19 HZ PHE 19 6.368 -7.487 3.679 192 H LYS 20 H LYS 20 0.313 -6.664 9.093 193 HA LYS 20 HA LYS 20 0.964 -6.522 11.206 194 1HB LYS 20 2HB LYS 20 2.550 -9.033 10.635 195 2HB LYS 20 1HB LYS 20 2.336 -8.339 12.234 196 1HG LYS 20 2HG LYS 20 0.020 -8.833 12.233 197 2HG LYS 20 1HG LYS 20 0.041 -9.235 10.514 198 1HD LYS 20 2HD LYS 20 1.564 -10.741 12.641 199 2HD LYS 20 1HD LYS 20 0.000 -11.237 11.984 200 1HE LYS 20 2HE LYS 20 2.517 -10.838 10.361 201 2HE LYS 20 1HE LYS 20 1.909 -12.399 10.914 202 1HZ LYS 20 1HZ LYS 20 0.293 -10.586 9.181 203 2HZ LYS 20 2HZ LYS 20 0.048 -12.241 9.501 204 3HZ LYS 20 3HZ LYS 20 1.319 -11.749 8.569 205 H LEU 21 H LEU 21 1.885 -4.630 11.005 206 HA LEU 21 HA LEU 21 4.693 -4.586 10.242 207 1HB LEU 21 2HB LEU 21 2.881 -2.215 10.695 208 2HB LEU 21 1HB LEU 21 4.476 -2.232 10.028 209 HG LEU 21 HG LEU 21 3.142 -1.933 8.145 210 1HD1 LEU 21 1HD1 LEU 21 3.340 -3.954 6.826 211 2HD1 LEU 21 2HD1 LEU 21 3.654 -4.853 8.307 212 3HD1 LEU 21 3HD1 LEU 21 4.788 -3.606 7.786 213 1HD2 LEU 21 1HD2 LEU 21 0.908 -2.433 9.075 214 2HD2 LEU 21 2HD2 LEU 21 1.279 -4.162 9.022 215 3HD2 LEU 21 3HD2 LEU 21 1.164 -3.247 7.536 216 H THR 22 H THR 22 2.572 -4.142 12.829 217 HA THR 22 HA THR 22 2.717 -3.962 14.976 218 HB THR 22 HB THR 22 4.800 -4.491 16.275 219 HG1 THR 22 1HG THR 22 5.992 -4.007 13.866 220 1HG2 THR 22 1HG2 THR 22 4.970 -6.812 15.507 221 2HG2 THR 22 2HG2 THR 22 4.153 -6.357 14.010 222 3HG2 THR 22 3HG2 THR 22 3.293 -6.250 15.547 223 H GLY 23 H GLY 23 4.839 -1.895 13.254 224 1HA GLY 23 2HA GLY 23 4.030 0.270 15.022 225 2HA GLY 23 1HA GLY 23 5.748 0.063 14.663 226 HA PRO 24 HA PRO 24 3.712 2.485 11.176 227 1HB PRO 24 2HB PRO 24 5.029 4.828 11.511 228 2HB PRO 24 1HB PRO 24 3.514 4.486 12.357 229 1HG PRO 24 2HG PRO 24 6.329 4.275 13.354 230 2HG PRO 24 1HG PRO 24 4.902 4.951 14.165 231 1HD PRO 24 2HD PRO 24 5.835 2.460 14.686 232 2HD PRO 24 1HD PRO 24 4.107 2.884 14.765 233 H ILE 25 H ILE 25 4.986 3.436 9.337 234 HA ILE 25 HA ILE 25 7.805 2.908 9.338 235 HB ILE 25 HB ILE 25 6.934 0.659 8.980 236 1HG1 ILE 25 2HG1 ILE 25 8.036 0.108 6.812 237 2HG1 ILE 25 1HG1 ILE 25 8.138 1.831 6.472 238 1HG2 ILE 25 1HG2 ILE 25 4.767 1.117 8.079 239 2HG2 ILE 25 2HG2 ILE 25 5.642 0.032 6.999 240 3HG2 ILE 25 3HG2 ILE 25 5.475 1.743 6.591 241 1HD1 ILE 25 1HD1 ILE 25 9.547 2.137 8.435 242 2HD1 ILE 25 2HD1 ILE 25 10.240 0.962 7.314 243 3HD1 ILE 25 3HD1 ILE 25 9.437 0.411 8.781 244 H GLN 26 H GLN 26 8.840 4.206 7.993 245 HA GLN 26 HA GLN 26 7.418 6.109 6.348 246 1HB GLN 26 2HB GLN 26 9.597 7.115 5.998 247 2HB GLN 26 1HB GLN 26 9.458 6.693 7.699 248 1HG GLN 26 2HG GLN 26 10.792 4.664 7.276 249 2HG GLN 26 1HG GLN 26 10.959 5.148 5.591 250 1HE2 GLN 26 1HE2 GLN 26 11.931 5.734 8.841 251 2HE2 GLN 26 2HE2 GLN 26 13.252 6.773 8.500 252 H VAL 27 H VAL 27 8.425 6.457 4.034 253 HA VAL 27 HA VAL 27 8.188 3.886 2.751 254 HB VAL 27 HB VAL 27 7.034 5.769 1.718 255 1HG1 VAL 27 1HG1 VAL 27 8.568 7.590 2.214 256 2HG1 VAL 27 2HG1 VAL 27 8.254 7.487 0.469 257 3HG1 VAL 27 3HG1 VAL 27 9.768 6.872 1.134 258 1HG2 VAL 27 1HG2 VAL 27 7.758 5.446 -0.588 259 2HG2 VAL 27 2HG2 VAL 27 7.653 3.936 0.321 260 3HG2 VAL 27 3HG2 VAL 27 9.224 4.668 0.001 261 H ILE 28 H ILE 28 9.700 2.749 1.873 262 HA ILE 28 HA ILE 28 12.446 3.531 2.429 263 HB ILE 28 HB ILE 28 11.200 0.855 1.749 264 1HG1 ILE 28 2HG1 ILE 28 12.383 0.101 3.816 265 2HG1 ILE 28 1HG1 ILE 28 12.978 1.737 4.040 266 1HG2 ILE 28 1HG2 ILE 28 14.166 1.392 1.777 267 2HG2 ILE 28 2HG2 ILE 28 13.194 0.940 0.377 268 3HG2 ILE 28 3HG2 ILE 28 13.411 -0.201 1.703 269 1HD1 ILE 28 1HD1 ILE 28 10.107 0.854 4.116 270 2HD1 ILE 28 2HD1 ILE 28 10.684 2.506 4.339 271 3HD1 ILE 28 3HD1 ILE 28 11.121 1.254 5.504 272 H HIS 29 H HIS 29 10.369 2.871 -0.326 273 HA HIS 29 HA HIS 29 12.192 4.112 -2.169 274 1HB HIS 29 2HB HIS 29 11.713 1.143 -2.305 275 2HB HIS 29 1HB HIS 29 12.051 2.077 -3.739 276 HD1 HIS 29 1HD HIS 29 13.692 -0.127 -1.514 277 HD2 HIS 29 2HD HIS 29 14.721 3.581 -3.121 278 HE1 HIS 29 1HE HIS 29 16.178 -0.012 -1.420 279 HE2 HIS 29 2HE HIS 29 16.696 1.996 -2.838 280 H LEU 30 H LEU 30 11.214 3.937 -4.392 281 HA LEU 30 HA LEU 30 8.345 3.663 -4.099 282 1HB LEU 30 2HB LEU 30 9.862 5.461 -6.009 283 2HB LEU 30 1HB LEU 30 8.135 5.179 -6.062 284 HG LEU 30 HG LEU 30 8.010 6.172 -3.735 285 1HD1 LEU 30 1HD1 LEU 30 9.797 7.679 -3.048 286 2HD1 LEU 30 2HD1 LEU 30 10.794 7.103 -4.385 287 3HD1 LEU 30 3HD1 LEU 30 10.334 6.000 -3.090 288 1HD2 LEU 30 1HD2 LEU 30 8.077 8.466 -4.564 289 2HD2 LEU 30 2HD2 LEU 30 7.291 7.368 -5.697 290 3HD2 LEU 30 3HD2 LEU 30 8.942 7.915 -5.999 291 H ALA 31 H ALA 31 7.432 2.394 -5.282 292 HA ALA 31 HA ALA 31 8.923 0.790 -7.248 293 1HB ALA 31 1HB ALA 31 7.942 -0.501 -5.380 294 2HB ALA 31 2HB ALA 31 7.306 -0.965 -6.959 295 3HB ALA 31 3HB ALA 31 6.336 0.041 -5.893 296 H LYS 32 H LYS 32 7.862 0.020 -9.051 297 HA LYS 32 HA LYS 32 5.934 1.886 -10.214 298 1HB LYS 32 2HB LYS 32 8.008 1.665 -11.443 299 2HB LYS 32 1HB LYS 32 7.860 -0.084 -11.370 300 1HG LYS 32 2HG LYS 32 5.832 0.061 -12.770 301 2HG LYS 32 1HG LYS 32 6.079 1.800 -12.913 302 1HD LYS 32 2HD LYS 32 7.986 -0.353 -13.828 303 2HD LYS 32 1HD LYS 32 6.932 0.601 -14.867 304 1HE LYS 32 2HE LYS 32 8.118 2.631 -14.216 305 2HE LYS 32 1HE LYS 32 9.148 1.689 -13.135 306 1HZ LYS 32 1HZ LYS 32 9.940 0.454 -15.028 307 2HZ LYS 32 2HZ LYS 32 10.253 2.116 -15.216 308 3HZ LYS 32 3HZ LYS 32 8.968 1.371 -16.071 309 H ALA 33 H ALA 33 3.910 1.102 -10.425 310 HA ALA 33 HA ALA 33 3.303 -1.638 -10.027 311 1HB ALA 33 1HB ALA 33 1.661 0.552 -11.283 312 2HB ALA 33 2HB ALA 33 1.617 0.063 -9.577 313 3HB ALA 33 3HB ALA 33 1.085 -1.042 -10.837 314 H CYS 34 H CYS 34 4.261 -2.920 -11.457 315 HA CYS 34 HA CYS 34 4.292 -2.248 -14.264 316 1HB CYS 34 2HB CYS 34 5.301 -4.709 -12.830 317 2HB CYS 34 1HB CYS 34 5.593 -4.317 -14.526 318 HG CYS 34 HG CYS 34 7.954 -3.489 -13.652 319 H CYS 35 H CYS 35 2.080 -3.538 -12.244 320 HA CYS 35 HA CYS 35 0.665 -4.826 -14.441 321 1HB CYS 35 2HB CYS 35 0.870 -5.824 -11.598 322 2HB CYS 35 1HB CYS 35 -0.234 -6.462 -12.810 323 HG CYS 35 HG CYS 35 1.304 -8.143 -13.740 324 H ASP 36 H ASP 36 -1.385 -4.276 -14.556 325 HA ASP 36 HA ASP 36 -2.504 -2.412 -12.629 326 1HB ASP 36 2HB ASP 36 -4.348 -2.085 -14.250 327 2HB ASP 36 1HB ASP 36 -2.790 -1.848 -15.015 328 H VAL 37 H VAL 37 -3.166 -3.379 -10.905 329 HA VAL 37 HA VAL 37 -4.737 -5.854 -11.168 330 HB VAL 37 HB VAL 37 -2.480 -6.076 -10.064 331 1HG1 VAL 37 1HG1 VAL 37 -2.244 -5.335 -7.768 332 2HG1 VAL 37 2HG1 VAL 37 -3.776 -4.466 -7.925 333 3HG1 VAL 37 3HG1 VAL 37 -2.399 -4.011 -8.925 334 1HG2 VAL 37 1HG2 VAL 37 -3.227 -7.471 -8.200 335 2HG2 VAL 37 2HG2 VAL 37 -4.184 -7.753 -9.655 336 3HG2 VAL 37 3HG2 VAL 37 -4.845 -6.782 -8.340 337 H LYS 38 H LYS 38 -6.561 -6.107 -9.782 338 HA LYS 38 HA LYS 38 -7.435 -3.615 -8.528 339 1HB LYS 38 2HB LYS 38 -9.798 -4.253 -9.069 340 2HB LYS 38 1HB LYS 38 -8.824 -3.880 -10.469 341 1HG LYS 38 2HG LYS 38 -9.324 -6.702 -9.580 342 2HG LYS 38 1HG LYS 38 -10.462 -5.838 -10.616 343 1HD LYS 38 2HD LYS 38 -8.634 -5.510 -12.259 344 2HD LYS 38 1HD LYS 38 -7.561 -6.443 -11.216 345 1HE LYS 38 2HE LYS 38 -10.070 -7.431 -12.573 346 2HE LYS 38 1HE LYS 38 -8.412 -7.851 -12.992 347 1HZ LYS 38 1HZ LYS 38 -8.227 -8.778 -10.688 348 2HZ LYS 38 2HZ LYS 38 -9.278 -9.625 -11.701 349 3HZ LYS 38 3HZ LYS 38 -9.902 -8.600 -10.533 350 H GLY 39 H GLY 39 -5.961 -5.597 -7.306 351 1HA GLY 39 2HA GLY 39 -6.107 -6.277 -5.035 352 2HA GLY 39 1HA GLY 39 -7.854 -6.290 -5.190 353 H GLY 40 H GLY 40 -5.109 -7.930 -6.708 354 1HA GLY 40 2HA GLY 40 -6.695 -10.366 -6.919 355 2HA GLY 40 1HA GLY 40 -5.095 -10.100 -7.604 356 H LYS 41 H LYS 41 -6.719 -11.771 -5.352 357 HA LYS 41 HA LYS 41 -6.233 -13.010 -3.512 358 1HB LYS 41 2HB LYS 41 -3.355 -12.408 -4.266 359 2HB LYS 41 1HB LYS 41 -3.827 -13.550 -3.020 360 1HG LYS 41 2HG LYS 41 -4.542 -13.777 -5.941 361 2HG LYS 41 1HG LYS 41 -3.211 -14.620 -5.154 362 1HD LYS 41 2HD LYS 41 -6.146 -14.923 -4.478 363 2HD LYS 41 1HD LYS 41 -5.186 -16.062 -5.424 364 1HE LYS 41 2HE LYS 41 -4.747 -15.325 -2.524 365 2HE LYS 41 1HE LYS 41 -5.463 -16.819 -3.113 366 1HZ LYS 41 1HZ LYS 41 -3.307 -17.385 -4.141 367 2HZ LYS 41 2HZ LYS 41 -3.144 -17.110 -2.497 368 3HZ LYS 41 3HZ LYS 41 -2.643 -15.940 -3.571 369 H ASN 42 H ASN 42 -6.900 -10.346 -3.147 370 HA ASN 42 HA ASN 42 -6.966 -8.654 -1.696 371 1HB ASN 42 2HB ASN 42 -7.427 -10.282 0.024 372 2HB ASN 42 1HB ASN 42 -5.743 -10.753 0.123 373 1HD2 ASN 42 1HD2 ASN 42 -4.440 -9.676 1.418 374 2HD2 ASN 42 2HD2 ASN 42 -4.906 -8.418 2.509 375 H GLU 43 H GLU 43 -5.880 -7.180 -2.658 376 HA GLU 43 HA GLU 43 -2.966 -6.919 -2.280 377 1HB GLU 43 2HB GLU 43 -3.851 -8.102 -4.449 378 2HB GLU 43 1HB GLU 43 -4.334 -6.483 -4.914 379 1HG GLU 43 2HG GLU 43 -2.310 -6.562 -5.896 380 2HG GLU 43 1HG GLU 43 -1.827 -5.959 -4.313 381 H LEU 44 H LEU 44 -2.461 -4.682 -3.577 382 HA LEU 44 HA LEU 44 -4.292 -2.587 -2.681 383 1HB LEU 44 2HB LEU 44 -1.538 -2.755 -2.824 384 2HB LEU 44 1HB LEU 44 -1.917 -2.100 -4.389 385 HG LEU 44 HG LEU 44 -2.653 -0.778 -1.772 386 1HD1 LEU 44 1HD1 LEU 44 -1.023 0.832 -2.377 387 2HD1 LEU 44 2HD1 LEU 44 -0.587 -0.156 -3.793 388 3HD1 LEU 44 3HD1 LEU 44 -0.345 -0.788 -2.140 389 1HD2 LEU 44 1HD2 LEU 44 -3.165 1.181 -3.076 390 2HD2 LEU 44 2HD2 LEU 44 -4.217 -0.163 -3.542 391 3HD2 LEU 44 3HD2 LEU 44 -2.848 0.299 -4.571 392 H SER 45 H SER 45 -5.318 -1.290 -4.284 393 HA SER 45 HA SER 45 -5.296 -2.512 -6.874 394 1HB SER 45 2HB SER 45 -7.195 -0.401 -5.819 395 2HB SER 45 1HB SER 45 -7.386 -1.309 -7.320 396 HG SER 45 HG SER 45 -7.249 -2.458 -4.728 397 H PHE 46 H PHE 46 -4.107 -1.715 -8.418 398 HA PHE 46 HA PHE 46 -3.601 1.093 -8.642 399 1HB PHE 46 2HB PHE 46 -1.083 0.614 -8.870 400 2HB PHE 46 1HB PHE 46 -1.753 0.627 -7.244 401 HD1 PHE 46 1HD PHE 46 -1.651 -1.313 -5.907 402 HD2 PHE 46 2HD PHE 46 -0.477 -1.481 -9.975 403 HE1 PHE 46 1HE PHE 46 -0.602 -3.490 -5.511 404 HE2 PHE 46 2HE PHE 46 0.579 -3.664 -9.592 405 HZ PHE 46 HZ PHE 46 0.516 -4.675 -7.354 406 H LYS 47 H LYS 47 -2.522 1.579 -10.627 407 HA LYS 47 HA LYS 47 -3.272 -0.342 -12.706 408 1HB LYS 47 2HB LYS 47 -3.054 2.671 -12.712 409 2HB LYS 47 1HB LYS 47 -3.324 1.702 -14.152 410 1HG LYS 47 2HG LYS 47 -5.441 0.928 -13.282 411 2HG LYS 47 1HG LYS 47 -5.160 1.785 -11.770 412 1HD LYS 47 2HD LYS 47 -5.143 3.296 -14.356 413 2HD LYS 47 1HD LYS 47 -6.679 2.825 -13.642 414 1HE LYS 47 2HE LYS 47 -6.076 5.110 -13.010 415 2HE LYS 47 1HE LYS 47 -6.129 4.061 -11.605 416 1HZ LYS 47 1HZ LYS 47 -3.738 4.057 -11.511 417 2HZ LYS 47 2HZ LYS 47 -4.265 5.638 -11.625 418 3HZ LYS 47 3HZ LYS 47 -3.590 4.902 -12.969 419 H GLN 48 H GLN 48 -1.810 -0.461 -14.476 420 HA GLN 48 HA GLN 48 0.908 -0.582 -13.811 421 1HB GLN 48 2HB GLN 48 -0.424 -1.721 -15.736 422 2HB GLN 48 1HB GLN 48 -0.174 -0.242 -16.630 423 1HG GLN 48 2HG GLN 48 2.120 -1.851 -15.533 424 2HG GLN 48 1HG GLN 48 1.363 -2.251 -17.058 425 1HE2 GLN 48 1HE2 GLN 48 3.230 -1.924 -18.185 426 2HE2 GLN 48 2HE2 GLN 48 3.916 -0.366 -18.461 427 H GLY 49 H GLY 49 2.269 1.031 -13.509 428 1HA GLY 49 2HA GLY 49 3.359 3.084 -13.896 429 2HA GLY 49 1HA GLY 49 2.076 3.521 -15.018 430 H GLU 50 H GLU 50 1.277 2.331 -11.904 431 HA GLU 50 HA GLU 50 -0.245 4.641 -11.181 432 1HB GLU 50 2HB GLU 50 -0.657 2.225 -10.545 433 2HB GLU 50 1HB GLU 50 0.642 2.405 -9.379 434 1HG GLU 50 2HG GLU 50 -1.456 2.658 -8.280 435 2HG GLU 50 1HG GLU 50 -0.635 4.222 -8.312 436 H GLN 51 H GLN 51 2.792 3.349 -10.388 437 HA GLN 51 HA GLN 51 4.610 3.922 -9.181 438 1HB GLN 51 2HB GLN 51 4.465 6.202 -10.167 439 2HB GLN 51 1HB GLN 51 3.328 6.681 -8.917 440 1HG GLN 51 2HG GLN 51 5.061 6.385 -7.223 441 2HG GLN 51 1HG GLN 51 6.199 5.881 -8.466 442 1HE2 GLN 51 1HE2 GLN 51 3.853 8.490 -8.849 443 2HE2 GLN 51 2HE2 GLN 51 5.016 9.754 -8.933 444 H ILE 52 H ILE 52 4.830 2.946 -7.377 445 HA ILE 52 HA ILE 52 2.815 3.257 -5.264 446 HB ILE 52 HB ILE 52 4.445 0.787 -5.936 447 1HG1 ILE 52 2HG1 ILE 52 1.685 1.621 -6.882 448 2HG1 ILE 52 1HG1 ILE 52 3.096 1.183 -7.808 449 1HG2 ILE 52 1HG2 ILE 52 1.992 1.140 -4.201 450 2HG2 ILE 52 2HG2 ILE 52 3.632 0.853 -3.621 451 3HG2 ILE 52 3HG2 ILE 52 2.794 -0.393 -4.548 452 1HD1 ILE 52 1HD1 ILE 52 1.562 -0.703 -6.077 453 2HD1 ILE 52 2HD1 ILE 52 2.945 -1.088 -7.102 454 3HD1 ILE 52 3HD1 ILE 52 1.428 -0.560 -7.828 455 H GLU 53 H GLU 53 3.792 2.879 -3.091 456 HA GLU 53 HA GLU 53 6.686 3.500 -2.992 457 1HB GLU 53 2HB GLU 53 4.885 3.894 -0.657 458 2HB GLU 53 1HB GLU 53 6.355 4.658 -1.198 459 1HG GLU 53 2HG GLU 53 5.353 6.042 -2.741 460 2HG GLU 53 1HG GLU 53 3.846 5.130 -2.740 461 H ILE 54 H ILE 54 7.918 2.098 -1.716 462 HA ILE 54 HA ILE 54 6.441 -0.196 -0.666 463 HB ILE 54 HB ILE 54 8.238 -0.831 -2.312 464 1HG1 ILE 54 2HG1 ILE 54 9.487 -2.436 -0.878 465 2HG1 ILE 54 1HG1 ILE 54 8.770 -1.661 0.529 466 1HG2 ILE 54 1HG2 ILE 54 9.743 0.973 -1.997 467 2HG2 ILE 54 2HG2 ILE 54 10.553 -0.583 -1.813 468 3HG2 ILE 54 3HG2 ILE 54 10.152 0.382 -0.388 469 1HD1 ILE 54 1HD1 ILE 54 7.272 -3.037 -1.663 470 2HD1 ILE 54 2HD1 ILE 54 6.578 -2.281 -0.218 471 3HD1 ILE 54 3HD1 ILE 54 7.635 -3.683 -0.063 472 H ILE 55 H ILE 55 6.240 -0.431 1.392 473 HA ILE 55 HA ILE 55 7.977 1.155 3.117 474 HB ILE 55 HB ILE 55 6.103 0.894 4.881 475 1HG1 ILE 55 2HG1 ILE 55 4.793 -0.694 3.290 476 2HG1 ILE 55 1HG1 ILE 55 3.864 0.480 4.207 477 1HG2 ILE 55 1HG2 ILE 55 6.754 3.019 3.998 478 2HG2 ILE 55 2HG2 ILE 55 4.996 2.945 4.121 479 3HG2 ILE 55 3HG2 ILE 55 5.778 2.756 2.552 480 1HD1 ILE 55 1HD1 ILE 55 3.801 1.901 2.197 481 2HD1 ILE 55 2HD1 ILE 55 3.087 0.310 1.918 482 3HD1 ILE 55 3HD1 ILE 55 4.712 0.672 1.324 483 H ARG 56 H ARG 56 6.339 -2.013 2.974 484 HA ARG 56 HA ARG 56 8.618 -2.881 4.539 485 1HB ARG 56 2HB ARG 56 6.523 -2.815 6.090 486 2HB ARG 56 1HB ARG 56 5.867 -3.997 5.006 487 1HG ARG 56 2HG ARG 56 7.225 -5.653 5.608 488 2HG ARG 56 1HG ARG 56 8.523 -4.595 6.173 489 1HD ARG 56 2HD ARG 56 7.314 -4.096 8.157 490 2HD ARG 56 1HD ARG 56 5.855 -4.886 7.539 491 HE ARG 56 HE ARG 56 7.645 -6.850 7.531 492 1HH1 ARG 56 1HH1 ARG 56 7.058 -4.418 10.063 493 2HH1 ARG 56 2HH1 ARG 56 7.165 -5.550 11.337 494 1HH2 ARG 56 1HH2 ARG 56 7.749 -8.369 9.285 495 2HH2 ARG 56 2HH2 ARG 56 7.569 -7.857 10.894 496 H ILE 57 H ILE 57 9.484 -4.747 4.011 497 HA ILE 57 HA ILE 57 8.419 -6.096 1.636 498 HB ILE 57 HB ILE 57 10.932 -6.565 1.126 499 1HG1 ILE 57 2HG1 ILE 57 11.780 -5.390 3.210 500 2HG1 ILE 57 1HG1 ILE 57 12.569 -4.930 1.708 501 1HG2 ILE 57 1HG2 ILE 57 9.552 -5.440 -0.418 502 2HG2 ILE 57 2HG2 ILE 57 11.114 -4.621 -0.332 503 3HG2 ILE 57 3HG2 ILE 57 9.704 -3.926 0.472 504 1HD1 ILE 57 1HD1 ILE 57 10.424 -3.399 3.139 505 2HD1 ILE 57 2HD1 ILE 57 11.160 -2.909 1.628 506 3HD1 ILE 57 3HD1 ILE 57 12.139 -2.967 3.120 507 H THR 58 H THR 58 10.259 -6.334 4.607 508 HA THR 58 HA THR 58 10.513 -9.178 4.186 509 HB THR 58 HB THR 58 12.019 -8.916 6.255 510 HG1 THR 58 1HG THR 58 11.911 -6.948 6.971 511 1HG2 THR 58 1HG2 THR 58 13.904 -8.317 4.802 512 2HG2 THR 58 2HG2 THR 58 12.756 -7.739 3.580 513 3HG2 THR 58 3HG2 THR 58 12.792 -9.444 4.020 514 H ASP 59 H ASP 59 10.221 -10.622 5.728 515 HA ASP 59 HA ASP 59 9.179 -11.792 7.248 516 1HB ASP 59 2HB ASP 59 10.114 -10.204 8.885 517 2HB ASP 59 1HB ASP 59 8.657 -9.225 8.753 518 H ASN 60 H ASN 60 7.795 -12.097 5.471 519 HA ASN 60 HA ASN 60 5.076 -11.921 6.459 520 1HB ASN 60 2HB ASN 60 5.129 -9.903 5.162 521 2HB ASN 60 1HB ASN 60 5.832 -10.743 3.782 522 1HD2 ASN 60 1HD2 ASN 60 4.163 -10.016 2.525 523 2HD2 ASN 60 2HD2 ASN 60 2.557 -10.676 2.639 524 HA PRO 61 HA PRO 61 5.465 -16.123 5.053 525 1HB PRO 61 2HB PRO 61 2.820 -16.774 5.537 526 2HB PRO 61 1HB PRO 61 4.112 -16.817 6.743 527 1HG PRO 61 2HG PRO 61 2.088 -14.683 6.214 528 2HG PRO 61 1HG PRO 61 2.681 -15.310 7.763 529 1HD PRO 61 2HD PRO 61 3.556 -12.985 6.791 530 2HD PRO 61 1HD PRO 61 4.655 -14.092 7.638 531 H GLU 62 H GLU 62 3.152 -13.810 3.755 532 HA GLU 62 HA GLU 62 2.178 -15.560 1.679 533 1HB GLU 62 2HB GLU 62 2.117 -12.543 1.763 534 2HB GLU 62 1HB GLU 62 1.256 -13.543 0.607 535 1HG GLU 62 2HG GLU 62 0.011 -14.541 2.552 536 2HG GLU 62 1HG GLU 62 0.890 -13.333 3.516 537 H GLY 63 H GLY 63 5.049 -13.845 2.117 538 1HA GLY 63 2HA GLY 63 6.876 -13.580 0.774 539 2HA GLY 63 1HA GLY 63 6.071 -14.590 -0.424 540 H LYS 64 H LYS 64 4.609 -11.753 0.882 541 HA LYS 64 HA LYS 64 4.908 -10.479 -1.711 542 1HB LYS 64 2HB LYS 64 2.668 -9.893 -1.721 543 2HB LYS 64 1HB LYS 64 2.606 -11.494 -1.005 544 1HG LYS 64 2HG LYS 64 2.475 -10.349 1.231 545 2HG LYS 64 1HG LYS 64 2.326 -8.823 0.356 546 1HD LYS 64 2HD LYS 64 0.393 -11.110 0.548 547 2HD LYS 64 1HD LYS 64 0.105 -9.383 0.764 548 1HE LYS 64 2HE LYS 64 0.673 -9.209 -1.768 549 2HE LYS 64 1HE LYS 64 0.529 -10.983 -1.618 550 1HZ LYS 64 1HZ LYS 64 -1.483 -9.650 -2.408 551 2HZ LYS 64 2HZ LYS 64 -1.749 -9.262 -0.816 552 3HZ LYS 64 3HZ LYS 64 -1.708 -10.907 -1.316 553 H TRP 65 H TRP 65 4.640 -8.076 -1.522 554 HA TRP 65 HA TRP 65 6.167 -7.073 0.793 555 1HB TRP 65 2HB TRP 65 5.758 -6.039 -2.006 556 2HB TRP 65 1HB TRP 65 6.531 -5.087 -0.765 557 HD1 TRP 65 HD TRP 65 8.172 -7.932 0.216 558 HE1 TRP 65 1HE TRP 65 10.289 -8.497 -1.152 559 HE3 TRP 65 3HE TRP 65 7.222 -5.145 -3.971 560 HZ2 TRP 65 2HZ TRP 65 11.393 -7.845 -3.661 561 HZ3 TRP 65 3HZ TRP 65 8.861 -5.169 -5.798 562 HH2 TRP 65 HH TRP 65 10.900 -6.493 -5.649 563 H LEU 66 H LEU 66 5.600 -4.647 1.165 564 HA LEU 66 HA LEU 66 2.676 -4.363 1.141 565 1HB LEU 66 2HB LEU 66 3.596 -4.599 3.413 566 2HB LEU 66 1HB LEU 66 4.688 -3.262 3.110 567 HG LEU 66 HG LEU 66 2.734 -1.765 2.858 568 1HD1 LEU 66 1HD1 LEU 66 0.563 -2.518 3.631 569 2HD1 LEU 66 2HD1 LEU 66 1.198 -4.160 3.783 570 3HD1 LEU 66 3HD1 LEU 66 1.098 -3.399 2.191 571 1HD2 LEU 66 1HD2 LEU 66 3.908 -1.930 4.972 572 2HD2 LEU 66 2HD2 LEU 66 2.870 -3.273 5.454 573 3HD2 LEU 66 3HD2 LEU 66 2.183 -1.664 5.219 574 H GLY 67 H GLY 67 2.155 -2.949 -0.406 575 1HA GLY 67 2HA GLY 67 3.987 -0.719 -0.800 576 2HA GLY 67 1HA GLY 67 2.990 -1.417 -2.084 577 H ARG 68 H ARG 68 3.020 1.275 -1.361 578 HA ARG 68 HA ARG 68 0.206 1.603 -0.619 579 1HB ARG 68 2HB ARG 68 1.415 2.038 1.373 580 2HB ARG 68 1HB ARG 68 2.533 3.157 0.580 581 1HG ARG 68 2HG ARG 68 0.454 4.597 0.199 582 2HG ARG 68 1HG ARG 68 -0.390 3.515 1.306 583 1HD ARG 68 2HD ARG 68 0.410 5.406 2.525 584 2HD ARG 68 1HD ARG 68 1.325 3.979 3.012 585 HE ARG 68 HE ARG 68 2.542 5.503 0.903 586 1HH1 ARG 68 1HH1 ARG 68 2.387 5.096 4.462 587 2HH1 ARG 68 2HH1 ARG 68 3.792 6.019 4.726 588 1HH2 ARG 68 1HH2 ARG 68 4.406 6.718 1.299 589 2HH2 ARG 68 2HH2 ARG 68 4.978 6.991 2.888 590 H THR 69 H THR 69 -0.704 3.400 -1.449 591 HA THR 69 HA THR 69 0.762 4.601 -3.694 592 HB THR 69 HB THR 69 -1.610 5.197 -4.495 593 HG1 THR 69 1HG THR 69 -3.166 3.605 -3.694 594 1HG2 THR 69 1HG2 THR 69 -0.779 2.288 -4.397 595 2HG2 THR 69 2HG2 THR 69 -0.248 3.477 -5.587 596 3HG2 THR 69 3HG2 THR 69 -1.940 2.983 -5.528 597 H ALA 70 H ALA 70 0.020 6.882 -4.207 598 HA ALA 70 HA ALA 70 0.599 8.401 -1.866 599 1HB ALA 70 1HB ALA 70 1.576 8.969 -4.038 600 2HB ALA 70 2HB ALA 70 0.674 10.322 -3.355 601 3HB ALA 70 3HB ALA 70 -0.030 9.359 -4.654 602 H ARG 71 H ARG 71 -1.302 7.492 -1.024 603 HA ARG 71 HA ARG 71 -3.226 9.483 -0.499 604 1HB ARG 71 2HB ARG 71 -5.299 8.282 -1.142 605 2HB ARG 71 1HB ARG 71 -4.322 8.731 -2.529 606 1HG ARG 71 2HG ARG 71 -3.624 6.502 -2.879 607 2HG ARG 71 1HG ARG 71 -4.232 5.989 -1.303 608 1HD ARG 71 2HD ARG 71 -5.704 5.279 -3.115 609 2HD ARG 71 1HD ARG 71 -6.504 6.401 -2.017 610 HE ARG 71 HE ARG 71 -5.362 7.222 -4.590 611 1HH1 ARG 71 1HH1 ARG 71 -8.006 7.269 -2.200 612 2HH1 ARG 71 2HH1 ARG 71 -9.035 8.250 -3.140 613 1HH2 ARG 71 1HH2 ARG 71 -6.826 8.544 -5.923 614 2HH2 ARG 71 2HH2 ARG 71 -8.320 9.038 -5.273 615 H GLY 72 H GLY 72 -2.071 6.201 -0.177 616 1HA GLY 72 2HA GLY 72 -1.673 5.231 1.861 617 2HA GLY 72 1HA GLY 72 -2.959 6.149 2.601 618 H SER 73 H SER 73 -2.072 3.414 0.778 619 HA SER 73 HA SER 73 -4.397 2.038 1.366 620 1HB SER 73 2HB SER 73 -3.402 2.333 -1.448 621 2HB SER 73 1HB SER 73 -4.759 1.354 -0.938 622 HG SER 73 HG SER 73 -5.409 3.624 -0.058 623 H TYR 74 H TYR 74 -3.485 0.396 1.927 624 HA TYR 74 HA TYR 74 -0.651 -0.056 1.292 625 1HB TYR 74 2HB TYR 74 -2.269 -0.353 3.631 626 2HB TYR 74 1HB TYR 74 -0.801 -1.363 3.575 627 HD1 TYR 74 1HD TYR 74 1.388 -0.147 3.777 628 HD2 TYR 74 2HD TYR 74 -2.303 1.924 4.134 629 HE1 TYR 74 1HE TYR 74 2.561 1.740 4.810 630 HE2 TYR 74 2HE TYR 74 -1.139 3.823 5.166 631 HH TYR 74 HH TYR 74 0.907 4.239 6.400 632 H GLY 75 H GLY 75 -1.314 -1.264 -0.469 633 1HA GLY 75 2HA GLY 75 -2.732 -3.635 0.273 634 2HA GLY 75 1HA GLY 75 -2.545 -2.995 -1.365 635 H TYR 76 H TYR 76 -1.269 -4.559 1.132 636 HA TYR 76 HA TYR 76 1.264 -5.292 0.516 637 1HB TYR 76 2HB TYR 76 -0.140 -7.734 1.109 638 2HB TYR 76 1HB TYR 76 0.815 -6.746 2.218 639 HD1 TYR 76 1HD TYR 76 -2.564 -7.309 0.884 640 HD2 TYR 76 2HD TYR 76 -0.276 -5.296 3.860 641 HE1 TYR 76 1HE TYR 76 -4.630 -6.601 1.988 642 HE2 TYR 76 2HE TYR 76 -2.340 -4.598 4.963 643 HH TYR 76 HH TYR 76 -4.698 -4.225 4.352 644 H ILE 77 H ILE 77 1.897 -5.393 -1.457 645 HA ILE 77 HA ILE 77 0.550 -6.441 -3.697 646 HB ILE 77 HB ILE 77 2.877 -6.111 -4.587 647 1HG1 ILE 77 2HG1 ILE 77 3.051 -4.504 -2.039 648 2HG1 ILE 77 1HG1 ILE 77 4.094 -5.813 -2.572 649 1HG2 ILE 77 1HG2 ILE 77 2.322 -3.671 -4.926 650 2HG2 ILE 77 2HG2 ILE 77 1.117 -3.829 -3.634 651 3HG2 ILE 77 3HG2 ILE 77 0.923 -4.732 -5.145 652 1HD1 ILE 77 1HD1 ILE 77 4.940 -4.402 -4.361 653 2HD1 ILE 77 2HD1 ILE 77 5.188 -3.664 -2.775 654 3HD1 ILE 77 3HD1 ILE 77 3.886 -3.092 -3.827 655 H LYS 78 H LYS 78 1.040 -8.192 -4.799 656 HA LYS 78 HA LYS 78 2.987 -9.930 -3.707 657 1HB LYS 78 2HB LYS 78 2.365 -11.414 -5.486 658 2HB LYS 78 1HB LYS 78 0.863 -10.692 -4.937 659 1HG LYS 78 2HG LYS 78 1.082 -9.061 -6.804 660 2HG LYS 78 1HG LYS 78 2.486 -10.028 -7.292 661 1HD LYS 78 2HD LYS 78 0.715 -10.874 -8.650 662 2HD LYS 78 1HD LYS 78 0.798 -12.012 -7.307 663 1HE LYS 78 2HE LYS 78 -1.177 -9.736 -7.625 664 2HE LYS 78 1HE LYS 78 -1.524 -11.448 -7.806 665 1HZ LYS 78 1HZ LYS 78 -2.277 -10.688 -5.655 666 2HZ LYS 78 2HZ LYS 78 -0.837 -9.966 -5.344 667 3HZ LYS 78 3HZ LYS 78 -0.922 -11.661 -5.350 668 H THR 79 H THR 79 4.689 -9.445 -4.026 669 HA THR 79 HA THR 79 6.341 -7.566 -4.939 670 HB THR 79 HB THR 79 8.225 -9.095 -4.995 671 HG1 THR 79 1HG THR 79 7.965 -11.244 -5.301 672 1HG2 THR 79 1HG2 THR 79 7.864 -10.328 -2.910 673 2HG2 THR 79 2HG2 THR 79 6.125 -10.068 -3.059 674 3HG2 THR 79 3HG2 THR 79 7.203 -8.697 -2.814 675 H THR 80 H THR 80 5.288 -10.200 -6.951 676 HA THR 80 HA THR 80 6.806 -9.569 -9.243 677 HB THR 80 HB THR 80 6.139 -11.825 -8.755 678 HG1 THR 80 1HG THR 80 6.048 -10.841 -11.082 679 1HG2 THR 80 1HG2 THR 80 3.291 -10.894 -9.121 680 2HG2 THR 80 2HG2 THR 80 4.040 -11.386 -7.617 681 3HG2 THR 80 3HG2 THR 80 3.784 -12.573 -8.893 682 H ALA 81 H ALA 81 3.951 -8.017 -8.022 683 HA ALA 81 HA ALA 81 2.939 -7.407 -10.665 684 1HB ALA 81 1HB ALA 81 1.186 -6.201 -9.455 685 2HB ALA 81 2HB ALA 81 2.030 -6.503 -7.933 686 3HB ALA 81 3HB ALA 81 1.360 -7.850 -8.851 687 H VAL 82 H VAL 82 5.268 -6.271 -8.549 688 HA VAL 82 HA VAL 82 5.284 -3.657 -9.894 689 HB VAL 82 HB VAL 82 6.129 -2.613 -7.836 690 1HG1 VAL 82 1HG1 VAL 82 3.783 -2.380 -8.347 691 2HG1 VAL 82 2HG1 VAL 82 4.041 -2.462 -6.618 692 3HG1 VAL 82 3HG1 VAL 82 3.408 -3.868 -7.475 693 1HG2 VAL 82 1HG2 VAL 82 5.410 -5.226 -6.521 694 2HG2 VAL 82 2HG2 VAL 82 5.869 -3.749 -5.674 695 3HG2 VAL 82 3HG2 VAL 82 7.034 -4.563 -6.724 696 H GLU 83 H GLU 83 7.301 -2.592 -9.600 697 HA GLU 83 HA GLU 83 9.609 -4.289 -9.009 698 1HB GLU 83 2HB GLU 83 9.268 -2.398 -11.309 699 2HB GLU 83 1HB GLU 83 10.839 -3.011 -10.799 700 1HG GLU 83 2HG GLU 83 9.959 -5.303 -11.262 701 2HG GLU 83 1HG GLU 83 8.532 -4.533 -11.956 702 H ILE 84 H ILE 84 10.748 -3.273 -7.459 703 HA ILE 84 HA ILE 84 9.927 -0.540 -6.904 704 HB ILE 84 HB ILE 84 11.190 -0.607 -4.877 705 1HG1 ILE 84 2HG1 ILE 84 12.068 -3.425 -5.383 706 2HG1 ILE 84 1HG1 ILE 84 13.026 -2.068 -5.973 707 1HG2 ILE 84 1HG2 ILE 84 8.992 -1.610 -4.762 708 2HG2 ILE 84 2HG2 ILE 84 10.104 -2.438 -3.671 709 3HG2 ILE 84 3HG2 ILE 84 9.664 -3.178 -5.209 710 1HD1 ILE 84 1HD1 ILE 84 13.168 -1.183 -3.760 711 2HD1 ILE 84 2HD1 ILE 84 13.817 -2.826 -3.832 712 3HD1 ILE 84 3HD1 ILE 84 12.203 -2.517 -3.135 713 H ASP 85 H ASP 85 11.491 1.089 -6.592 714 HA ASP 85 HA ASP 85 13.680 0.753 -8.482 715 1HB ASP 85 2HB ASP 85 12.777 3.212 -6.935 716 2HB ASP 85 1HB ASP 85 14.192 3.176 -7.973 717 H TYR 86 H TYR 86 15.678 0.424 -7.839 718 HA TYR 86 HA TYR 86 16.039 -0.039 -5.020 719 1HB TYR 86 2HB TYR 86 17.926 -0.431 -7.364 720 2HB TYR 86 1HB TYR 86 18.262 -0.930 -5.703 721 HD1 TYR 86 1HD TYR 86 16.668 -1.852 -8.793 722 HD2 TYR 86 2HD TYR 86 16.686 -2.593 -4.606 723 HE1 TYR 86 1HE TYR 86 15.438 -3.948 -9.162 724 HE2 TYR 86 2HE TYR 86 15.469 -4.695 -4.965 725 HH TYR 86 HH TYR 86 15.217 -6.139 -7.913 726 H ASP 87 H ASP 87 17.065 2.044 -7.555 727 HA ASP 87 HA ASP 87 16.640 4.379 -6.385 728 1HB ASP 87 2HB ASP 87 18.748 3.590 -4.892 729 2HB ASP 87 1HB ASP 87 19.623 4.260 -6.273 730 H SER 88 H SER 88 16.931 5.937 -7.862 731 HA SER 88 HA SER 88 18.566 5.221 -10.191 732 1HB SER 88 2HB SER 88 16.113 4.768 -10.581 733 2HB SER 88 1HB SER 88 15.806 6.482 -10.320 734 HG SER 88 HG SER 88 16.835 5.158 -12.499 735 H LEU 89 H LEU 89 18.260 7.227 -7.673 736 HA LEU 89 HA LEU 89 18.955 9.599 -9.238 737 1HB LEU 89 2HB LEU 89 17.496 9.494 -6.605 738 2HB LEU 89 1HB LEU 89 18.022 10.960 -7.405 739 HG LEU 89 HG LEU 89 15.964 9.013 -8.453 740 1HD1 LEU 89 1HD1 LEU 89 15.672 11.791 -7.326 741 2HD1 LEU 89 2HD1 LEU 89 15.152 10.289 -6.561 742 3HD1 LEU 89 3HD1 LEU 89 14.382 10.833 -8.053 743 1HD2 LEU 89 1HD2 LEU 89 16.905 11.656 -9.571 744 2HD2 LEU 89 2HD2 LEU 89 15.567 10.693 -10.196 745 3HD2 LEU 89 3HD2 LEU 89 17.214 10.063 -10.265 746 H LYS 90 H LYS 90 19.518 7.840 -6.173 747 HA LYS 90 HA LYS 90 22.111 9.204 -6.134 748 1HB LYS 90 2HB LYS 90 20.695 8.324 -3.606 749 2HB LYS 90 1HB LYS 90 22.193 9.216 -3.724 750 1HG LYS 90 2HG LYS 90 20.746 10.881 -3.124 751 2HG LYS 90 1HG LYS 90 20.641 11.010 -4.882 752 1HD LYS 90 2HD LYS 90 18.655 9.580 -4.858 753 2HD LYS 90 1HD LYS 90 18.760 9.470 -3.104 754 1HE LYS 90 2HE LYS 90 18.470 11.928 -2.988 755 2HE LYS 90 1HE LYS 90 18.239 11.943 -4.740 756 1HZ LYS 90 1HZ LYS 90 16.403 10.313 -4.349 757 2HZ LYS 90 2HZ LYS 90 16.079 11.866 -3.782 758 3HZ LYS 90 3HZ LYS 90 16.514 10.643 -2.705 759 H LEU 91 H LEU 91 22.970 7.433 -7.308 760 HA LEU 91 HA LEU 91 23.095 4.977 -5.809 761 1HB LEU 91 2HB LEU 91 24.311 5.711 -8.480 762 2HB LEU 91 1HB LEU 91 24.488 4.142 -7.715 763 HG LEU 91 HG LEU 91 21.886 5.361 -8.656 764 1HD1 LEU 91 1HD1 LEU 91 23.306 4.655 -10.492 765 2HD1 LEU 91 2HD1 LEU 91 21.915 3.584 -10.320 766 3HD1 LEU 91 3HD1 LEU 91 23.501 3.069 -9.746 767 1HD2 LEU 91 1HD2 LEU 91 20.914 3.184 -8.123 768 2HD2 LEU 91 2HD2 LEU 91 21.578 3.959 -6.683 769 3HD2 LEU 91 3HD2 LEU 91 22.461 2.649 -7.467 770 H LYS 92 H LYS 92 23.957 5.970 -4.079 771 HA LYS 92 HA LYS 92 26.419 7.333 -3.980 772 1HB LYS 92 2HB LYS 92 24.729 7.509 -2.232 773 2HB LYS 92 1HB LYS 92 24.923 5.808 -1.847 774 1HG LYS 92 2HG LYS 92 27.209 6.241 -1.089 775 2HG LYS 92 1HG LYS 92 27.015 7.948 -1.489 776 1HD LYS 92 2HD LYS 92 26.674 7.559 0.905 777 2HD LYS 92 1HD LYS 92 25.198 8.138 0.132 778 1HE LYS 92 2HE LYS 92 24.359 5.832 0.031 779 2HE LYS 92 1HE LYS 92 25.833 5.264 0.810 780 1HZ LYS 92 1HZ LYS 92 25.271 6.571 2.753 781 2HZ LYS 92 2HZ LYS 92 24.033 5.491 2.406 782 3HZ LYS 92 3HZ LYS 92 23.857 7.131 2.022 783 H LYS 93 H LYS 93 25.509 3.960 -3.736 784 HA LYS 93 HA LYS 93 28.343 3.315 -3.811 785 1HB LYS 93 2HB LYS 93 27.395 2.873 -1.545 786 2HB LYS 93 1HB LYS 93 26.240 1.766 -2.277 787 1HG LYS 93 2HG LYS 93 27.964 0.271 -2.927 788 2HG LYS 93 1HG LYS 93 29.217 1.436 -2.497 789 1HD LYS 93 2HD LYS 93 29.068 -0.259 -0.785 790 2HD LYS 93 1HD LYS 93 28.504 1.279 -0.136 791 1HE LYS 93 2HE LYS 93 27.066 -0.528 0.590 792 2HE LYS 93 1HE LYS 93 26.189 0.555 -0.488 793 1HZ LYS 93 1HZ LYS 93 27.453 -1.990 -1.335 794 2HZ LYS 93 2HZ LYS 93 26.410 -1.024 -2.267 795 3HZ LYS 93 3HZ LYS 93 25.824 -1.834 -0.925 796 H ASP 94 H ASP 94 28.833 2.238 -5.488 797 HA ASP 94 HA ASP 94 26.936 1.636 -7.481 798 1HB ASP 94 2HB ASP 94 29.175 2.339 -8.102 799 2HB ASP 94 1HB ASP 94 29.872 0.920 -7.337 800 H LEU 95 H LEU 95 29.276 -0.833 -6.407 801 HA LEU 95 HA LEU 95 27.041 -2.681 -6.003 802 1HB LEU 95 2HB LEU 95 29.126 -3.053 -8.140 803 2HB LEU 95 1HB LEU 95 28.122 -4.357 -7.543 804 HG LEU 95 HG LEU 95 27.040 -1.860 -8.858 805 1HD1 LEU 95 1HD1 LEU 95 26.652 -3.273 -10.803 806 2HD1 LEU 95 2HD1 LEU 95 27.479 -4.608 -9.999 807 3HD1 LEU 95 3HD1 LEU 95 28.371 -3.149 -10.432 808 1HD2 LEU 95 1HD2 LEU 95 25.749 -4.497 -8.164 809 2HD2 LEU 95 2HD2 LEU 95 24.980 -3.165 -9.027 810 3HD2 LEU 95 3HD2 LEU 95 25.477 -2.957 -7.347 811 H GLU 96 H GLU 96 29.394 -1.547 -4.445 812 HA GLU 96 HA GLU 96 30.745 -4.013 -3.855 813 1HB GLU 96 2HB GLU 96 32.158 -2.710 -2.307 814 2HB GLU 96 1HB GLU 96 32.174 -2.073 -3.936 815 1HG GLU 96 2HG GLU 96 30.599 -0.310 -3.202 816 2HG GLU 96 1HG GLU 96 30.713 -0.944 -1.561 Start of MODEL 15 1 1H GLU 1 1HT GLU 1 -21.172 14.980 24.874 2 2H GLU 1 2HT GLU 1 -20.797 13.342 24.583 3 3H GLU 1 3HT GLU 1 -22.154 14.057 23.836 4 HA GLU 1 HA GLU 1 -20.745 15.494 22.599 5 1HB GLU 1 2HB GLU 1 -18.937 15.611 24.300 6 2HB GLU 1 1HB GLU 1 -18.514 13.943 23.948 7 1HG GLU 1 2HG GLU 1 -17.001 15.553 22.907 8 2HG GLU 1 1HG GLU 1 -17.839 14.552 21.720 9 H LYS 2 H LYS 2 -21.355 14.650 20.690 10 HA LYS 2 HA LYS 2 -20.269 12.118 19.846 11 1HB LYS 2 2HB LYS 2 -22.279 11.396 21.016 12 2HB LYS 2 1HB LYS 2 -23.244 12.565 20.129 13 1HG LYS 2 2HG LYS 2 -22.668 11.386 18.033 14 2HG LYS 2 1HG LYS 2 -21.834 10.168 18.994 15 1HD LYS 2 2HD LYS 2 -23.905 9.603 20.115 16 2HD LYS 2 1HD LYS 2 -24.748 10.886 19.238 17 1HE LYS 2 2HE LYS 2 -24.194 9.763 17.119 18 2HE LYS 2 1HE LYS 2 -23.429 8.462 18.026 19 1HZ LYS 2 1HZ LYS 2 -26.286 9.239 18.171 20 2HZ LYS 2 2HZ LYS 2 -25.559 7.999 19.065 21 3HZ LYS 2 3HZ LYS 2 -25.658 7.872 17.379 22 H LYS 3 H LYS 3 -19.894 12.199 17.711 23 HA LYS 3 HA LYS 3 -21.496 14.047 16.135 24 1HB LYS 3 2HB LYS 3 -18.525 13.522 15.884 25 2HB LYS 3 1HB LYS 3 -19.473 14.239 14.587 26 1HG LYS 3 2HG LYS 3 -20.115 16.070 16.144 27 2HG LYS 3 1HG LYS 3 -19.028 15.374 17.340 28 1HD LYS 3 2HD LYS 3 -18.048 16.138 14.599 29 2HD LYS 3 1HD LYS 3 -18.192 17.339 15.871 30 1HE LYS 3 2HE LYS 3 -15.914 16.538 15.753 31 2HE LYS 3 1HE LYS 3 -16.644 16.013 17.259 32 1HZ LYS 3 1HZ LYS 3 -16.860 13.782 16.356 33 2HZ LYS 3 2HZ LYS 3 -15.291 14.321 16.218 34 3HZ LYS 3 3HZ LYS 3 -16.276 14.290 14.852 35 H GLU 4 H GLU 4 -22.750 13.000 14.882 36 HA GLU 4 HA GLU 4 -22.519 10.214 14.412 37 1HB GLU 4 2HB GLU 4 -24.341 12.288 13.236 38 2HB GLU 4 1HB GLU 4 -24.482 10.562 12.913 39 1HG GLU 4 2HG GLU 4 -24.959 10.091 15.177 40 2HG GLU 4 1HG GLU 4 -24.542 11.730 15.668 41 H GLN 5 H GLN 5 -21.147 12.835 12.843 42 HA GLN 5 HA GLN 5 -20.841 11.706 10.274 43 1HB GLN 5 2HB GLN 5 -19.060 13.726 11.679 44 2HB GLN 5 1HB GLN 5 -19.018 13.343 9.967 45 1HG GLN 5 2HG GLN 5 -20.200 15.295 9.958 46 2HG GLN 5 1HG GLN 5 -21.500 14.117 10.013 47 1HE2 GLN 5 1HE2 GLN 5 -21.531 16.844 10.776 48 2HE2 GLN 5 2HE2 GLN 5 -21.946 16.950 12.449 49 H LYS 6 H LYS 6 -20.199 9.705 10.386 50 HA LYS 6 HA LYS 6 -18.079 8.814 12.129 51 1HB LYS 6 2HB LYS 6 -19.661 7.342 10.024 52 2HB LYS 6 1HB LYS 6 -18.603 6.614 11.225 53 1HG LYS 6 2HG LYS 6 -20.061 7.282 13.002 54 2HG LYS 6 1HG LYS 6 -21.065 8.208 11.887 55 1HD LYS 6 2HD LYS 6 -20.666 5.215 11.841 56 2HD LYS 6 1HD LYS 6 -22.085 6.056 12.464 57 1HE LYS 6 2HE LYS 6 -21.098 6.082 9.608 58 2HE LYS 6 1HE LYS 6 -22.493 5.196 10.215 59 1HZ LYS 6 1HZ LYS 6 -22.193 8.158 10.075 60 2HZ LYS 6 2HZ LYS 6 -23.528 7.393 10.762 61 3HZ LYS 6 3HZ LYS 6 -23.181 7.204 9.124 62 H GLU 7 H GLU 7 -16.071 8.646 11.529 63 HA GLU 7 HA GLU 7 -15.333 9.123 8.764 64 1HB GLU 7 2HB GLU 7 -13.630 8.581 11.213 65 2HB GLU 7 1HB GLU 7 -13.027 9.079 9.638 66 1HG GLU 7 2HG GLU 7 -14.161 11.209 9.845 67 2HG GLU 7 1HG GLU 7 -14.854 10.707 11.386 68 H LYS 8 H LYS 8 -15.602 7.379 7.505 69 HA LYS 8 HA LYS 8 -14.657 4.836 8.596 70 1HB LYS 8 2HB LYS 8 -17.134 4.822 8.538 71 2HB LYS 8 1HB LYS 8 -17.087 5.141 6.809 72 1HG LYS 8 2HG LYS 8 -15.950 3.009 6.432 73 2HG LYS 8 1HG LYS 8 -15.958 2.692 8.161 74 1HD LYS 8 2HD LYS 8 -17.732 1.437 7.072 75 2HD LYS 8 1HD LYS 8 -18.424 2.664 8.127 76 1HE LYS 8 2HE LYS 8 -18.895 4.085 6.224 77 2HE LYS 8 1HE LYS 8 -18.067 2.964 5.146 78 1HZ LYS 8 1HZ LYS 8 -19.748 1.340 5.485 79 2HZ LYS 8 2HZ LYS 8 -20.553 2.784 5.143 80 3HZ LYS 8 3HZ LYS 8 -20.469 2.212 6.730 81 H GLU 9 H GLU 9 -13.021 4.217 7.619 82 HA GLU 9 HA GLU 9 -12.309 4.966 4.894 83 1HB GLU 9 2HB GLU 9 -10.884 2.986 6.711 84 2HB GLU 9 1HB GLU 9 -10.210 3.874 5.368 85 1HG GLU 9 2HG GLU 9 -9.272 4.787 7.329 86 2HG GLU 9 1HG GLU 9 -10.462 5.960 6.774 87 H LYS 10 H LYS 10 -11.031 2.500 4.131 88 HA LYS 10 HA LYS 10 -13.268 0.608 3.900 89 1HB LYS 10 2HB LYS 10 -10.496 0.639 2.635 90 2HB LYS 10 1HB LYS 10 -11.715 -0.587 2.329 91 1HG LYS 10 2HG LYS 10 -11.961 2.336 1.651 92 2HG LYS 10 1HG LYS 10 -11.560 1.049 0.515 93 1HD LYS 10 2HD LYS 10 -13.734 -0.010 0.960 94 2HD LYS 10 1HD LYS 10 -14.126 1.290 2.091 95 1HE LYS 10 2HE LYS 10 -13.970 2.918 0.279 96 2HE LYS 10 1HE LYS 10 -13.549 1.632 -0.846 97 1HZ LYS 10 1HZ LYS 10 -15.873 2.263 -0.987 98 2HZ LYS 10 2HZ LYS 10 -16.122 1.854 0.625 99 3HZ LYS 10 3HZ LYS 10 -15.728 0.658 -0.515 100 H LYS 11 H LYS 11 -11.417 1.516 6.006 101 HA LYS 11 HA LYS 11 -10.422 0.968 7.835 102 1HB LYS 11 2HB LYS 11 -12.322 -0.683 8.102 103 2HB LYS 11 1HB LYS 11 -11.240 -1.916 7.455 104 1HG LYS 11 2HG LYS 11 -9.745 -1.673 9.275 105 2HG LYS 11 1HG LYS 11 -10.586 -0.239 9.850 106 1HD LYS 11 2HD LYS 11 -12.606 -1.715 10.196 107 2HD LYS 11 1HD LYS 11 -11.530 -3.091 9.897 108 1HE LYS 11 2HE LYS 11 -11.699 -2.675 12.277 109 2HE LYS 11 1HE LYS 11 -10.066 -2.320 11.706 110 1HZ LYS 11 1HZ LYS 11 -10.570 -0.493 13.044 111 2HZ LYS 11 2HZ LYS 11 -12.160 -0.436 12.590 112 3HZ LYS 11 3HZ LYS 11 -11.001 0.118 11.529 113 H GLU 12 H GLU 12 -8.543 1.546 7.197 114 HA GLU 12 HA GLU 12 -6.880 -0.219 5.659 115 1HB GLU 12 2HB GLU 12 -5.889 2.303 6.954 116 2HB GLU 12 1HB GLU 12 -5.371 1.572 5.451 117 1HG GLU 12 2HG GLU 12 -7.895 3.141 5.944 118 2HG GLU 12 1HG GLU 12 -6.540 3.575 4.911 119 H GLN 13 H GLN 13 -7.670 0.212 8.652 120 HA GLN 13 HA GLN 13 -5.295 -0.364 10.124 121 1HB GLN 13 2HB GLN 13 -8.181 -0.744 10.945 122 2HB GLN 13 1HB GLN 13 -6.807 -0.869 12.023 123 1HG GLN 13 2HG GLN 13 -7.598 1.278 12.475 124 2HG GLN 13 1HG GLN 13 -6.351 1.609 11.280 125 1HE2 GLN 13 1HE2 GLN 13 -8.637 3.256 11.975 126 2HE2 GLN 13 2HE2 GLN 13 -9.588 3.404 10.530 127 H GLU 14 H GLU 14 -7.402 -2.180 8.346 128 HA GLU 14 HA GLU 14 -7.030 -4.749 9.531 129 1HB GLU 14 2HB GLU 14 -8.079 -3.882 6.863 130 2HB GLU 14 1HB GLU 14 -7.968 -5.568 7.342 131 1HG GLU 14 2HG GLU 14 -9.497 -3.473 8.856 132 2HG GLU 14 1HG GLU 14 -10.201 -4.569 7.667 133 H ILE 15 H ILE 15 -5.010 -2.838 7.518 134 HA ILE 15 HA ILE 15 -3.770 -5.076 6.213 135 HB ILE 15 HB ILE 15 -2.272 -3.487 5.179 136 1HG1 ILE 15 2HG1 ILE 15 -2.721 -0.920 5.899 137 2HG1 ILE 15 1HG1 ILE 15 -3.056 -1.690 7.427 138 1HG2 ILE 15 1HG2 ILE 15 -5.006 -2.261 5.409 139 2HG2 ILE 15 2HG2 ILE 15 -4.509 -3.514 4.272 140 3HG2 ILE 15 3HG2 ILE 15 -3.826 -1.890 4.155 141 1HD1 ILE 15 1HD1 ILE 15 -0.466 -1.900 5.911 142 2HD1 ILE 15 2HD1 ILE 15 -0.821 -2.646 7.470 143 3HD1 ILE 15 3HD1 ILE 15 -0.769 -0.889 7.325 144 H LYS 16 H LYS 16 -3.466 -3.327 9.047 145 HA LYS 16 HA LYS 16 -0.832 -3.573 9.765 146 1HB LYS 16 2HB LYS 16 -3.229 -3.574 11.584 147 2HB LYS 16 1HB LYS 16 -1.577 -3.240 12.083 148 1HG LYS 16 2HG LYS 16 -1.514 -1.231 10.783 149 2HG LYS 16 1HG LYS 16 -3.070 -1.606 10.037 150 1HD LYS 16 2HD LYS 16 -3.397 0.054 11.750 151 2HD LYS 16 1HD LYS 16 -4.125 -1.462 12.270 152 1HE LYS 16 2HE LYS 16 -2.981 -0.506 14.136 153 2HE LYS 16 1HE LYS 16 -2.063 -1.910 13.597 154 1HZ LYS 16 1HZ LYS 16 -1.438 0.911 12.913 155 2HZ LYS 16 2HZ LYS 16 -0.500 -0.434 12.490 156 3HZ LYS 16 3HZ LYS 16 -0.678 0.001 14.115 157 H LYS 17 H LYS 17 -3.440 -5.655 10.693 158 HA LYS 17 HA LYS 17 -1.601 -7.608 11.850 159 1HB LYS 17 2HB LYS 17 -4.605 -7.672 11.629 160 2HB LYS 17 1HB LYS 17 -3.628 -8.853 12.487 161 1HG LYS 17 2HG LYS 17 -2.877 -7.145 14.024 162 2HG LYS 17 1HG LYS 17 -3.794 -5.926 13.140 163 1HD LYS 17 2HD LYS 17 -4.955 -8.335 14.535 164 2HD LYS 17 1HD LYS 17 -4.970 -6.682 15.154 165 1HE LYS 17 2HE LYS 17 -6.259 -6.004 13.145 166 2HE LYS 17 1HE LYS 17 -6.320 -7.695 12.655 167 1HZ LYS 17 1HZ LYS 17 -7.517 -8.195 14.715 168 2HZ LYS 17 2HZ LYS 17 -8.324 -7.057 13.776 169 3HZ LYS 17 3HZ LYS 17 -7.470 -6.548 15.142 170 H LYS 18 H LYS 18 -2.408 -7.001 8.812 171 HA LYS 18 HA LYS 18 -2.892 -9.773 8.063 172 1HB LYS 18 2HB LYS 18 -4.075 -7.698 7.046 173 2HB LYS 18 1HB LYS 18 -2.582 -7.485 6.147 174 1HG LYS 18 2HG LYS 18 -3.967 -8.665 4.696 175 2HG LYS 18 1HG LYS 18 -2.913 -9.905 5.381 176 1HD LYS 18 2HD LYS 18 -5.223 -10.696 5.333 177 2HD LYS 18 1HD LYS 18 -4.686 -10.483 7.003 178 1HE LYS 18 2HE LYS 18 -5.833 -8.336 7.128 179 2HE LYS 18 1HE LYS 18 -6.301 -8.463 5.436 180 1HZ LYS 18 1HZ LYS 18 -7.211 -10.301 7.609 181 2HZ LYS 18 2HZ LYS 18 -7.660 -10.366 5.981 182 3HZ LYS 18 3HZ LYS 18 -8.118 -9.048 6.917 183 H PHE 19 H PHE 19 -0.644 -7.096 7.295 184 HA PHE 19 HA PHE 19 1.236 -9.001 6.156 185 1HB PHE 19 2HB PHE 19 0.661 -6.626 5.215 186 2HB PHE 19 1HB PHE 19 1.733 -6.042 6.482 187 HD1 PHE 19 1HD PHE 19 4.087 -6.519 6.442 188 HD2 PHE 19 2HD PHE 19 1.547 -7.704 3.272 189 HE1 PHE 19 1HE PHE 19 6.028 -6.779 4.992 190 HE2 PHE 19 2HE PHE 19 3.508 -7.968 1.808 191 HZ PHE 19 HZ PHE 19 5.801 -7.458 2.717 192 H LYS 20 H LYS 20 0.677 -7.227 9.063 193 HA LYS 20 HA LYS 20 1.588 -7.128 11.069 194 1HB LYS 20 2HB LYS 20 1.934 -9.603 10.872 195 2HB LYS 20 1HB LYS 20 3.523 -9.297 10.188 196 1HG LYS 20 2HG LYS 20 4.133 -8.152 12.330 197 2HG LYS 20 1HG LYS 20 2.588 -8.699 12.988 198 1HD LYS 20 2HD LYS 20 4.286 -10.260 13.666 199 2HD LYS 20 1HD LYS 20 3.273 -11.046 12.454 200 1HE LYS 20 2HE LYS 20 5.580 -11.553 11.975 201 2HE LYS 20 1HE LYS 20 4.978 -10.460 10.733 202 1HZ LYS 20 1HZ LYS 20 6.054 -8.610 11.961 203 2HZ LYS 20 2HZ LYS 20 7.192 -9.729 11.482 204 3HZ LYS 20 3HZ LYS 20 6.667 -9.700 13.062 205 H LEU 21 H LEU 21 2.212 -5.070 10.831 206 HA LEU 21 HA LEU 21 4.909 -4.635 9.814 207 1HB LEU 21 2HB LEU 21 2.873 -2.489 10.401 208 2HB LEU 21 1HB LEU 21 4.393 -2.333 9.600 209 HG LEU 21 HG LEU 21 2.915 -2.258 7.826 210 1HD1 LEU 21 1HD1 LEU 21 4.736 -3.712 7.381 211 2HD1 LEU 21 2HD1 LEU 21 3.279 -4.311 6.566 212 3HD1 LEU 21 3HD1 LEU 21 3.841 -5.074 8.049 213 1HD2 LEU 21 1HD2 LEU 21 1.402 -4.664 8.915 214 2HD2 LEU 21 2HD2 LEU 21 1.089 -3.858 7.392 215 3HD2 LEU 21 3HD2 LEU 21 0.818 -2.996 8.893 216 H THR 22 H THR 22 2.862 -3.621 12.428 217 HA THR 22 HA THR 22 3.194 -2.829 14.445 218 HB THR 22 HB THR 22 4.872 -4.053 15.901 219 HG1 THR 22 1HG THR 22 6.070 -4.509 13.732 220 1HG2 THR 22 1HG2 THR 22 3.661 -6.181 15.728 221 2HG2 THR 22 2HG2 THR 22 3.032 -5.675 14.156 222 3HG2 THR 22 3HG2 THR 22 2.569 -4.796 15.610 223 H GLY 23 H GLY 23 3.536 -0.806 14.214 224 1HA GLY 23 2HA GLY 23 4.840 1.001 15.082 225 2HA GLY 23 1HA GLY 23 6.290 0.158 14.544 226 HA PRO 24 HA PRO 24 4.271 2.818 11.070 227 1HB PRO 24 2HB PRO 24 5.082 5.358 11.648 228 2HB PRO 24 1HB PRO 24 3.493 4.725 12.093 229 1HG PRO 24 2HG PRO 24 5.939 5.052 13.761 230 2HG PRO 24 1HG PRO 24 4.227 5.316 14.157 231 1HD PRO 24 2HD PRO 24 5.615 3.086 14.909 232 2HD PRO 24 1HD PRO 24 3.863 3.098 14.623 233 H ILE 25 H ILE 25 5.493 2.922 9.408 234 HA ILE 25 HA ILE 25 8.371 3.353 9.755 235 HB ILE 25 HB ILE 25 7.953 0.926 9.502 236 1HG1 ILE 25 2HG1 ILE 25 9.261 2.134 7.049 237 2HG1 ILE 25 1HG1 ILE 25 10.033 1.935 8.613 238 1HG2 ILE 25 1HG2 ILE 25 5.884 0.986 8.241 239 2HG2 ILE 25 2HG2 ILE 25 7.081 0.002 7.399 240 3HG2 ILE 25 3HG2 ILE 25 6.731 1.635 6.835 241 1HD1 ILE 25 1HD1 ILE 25 9.841 -0.474 8.395 242 2HD1 ILE 25 2HD1 ILE 25 10.724 0.244 7.040 243 3HD1 ILE 25 3HD1 ILE 25 9.044 -0.263 6.832 244 H GLN 26 H GLN 26 9.434 4.188 7.917 245 HA GLN 26 HA GLN 26 7.689 5.950 6.411 246 1HB GLN 26 2HB GLN 26 9.680 7.109 5.750 247 2HB GLN 26 1HB GLN 26 9.775 6.801 7.476 248 1HG GLN 26 2HG GLN 26 11.280 4.926 7.054 249 2HG GLN 26 1HG GLN 26 11.177 5.244 5.322 250 1HE2 GLN 26 1HE2 GLN 26 12.408 6.306 8.340 251 2HE2 GLN 26 2HE2 GLN 26 13.524 7.471 7.702 252 H VAL 27 H VAL 27 8.360 6.229 4.030 253 HA VAL 27 HA VAL 27 8.120 3.676 2.822 254 HB VAL 27 HB VAL 27 7.020 5.525 1.737 255 1HG1 VAL 27 1HG1 VAL 27 9.764 6.656 1.294 256 2HG1 VAL 27 2HG1 VAL 27 8.518 7.337 2.355 257 3HG1 VAL 27 3HG1 VAL 27 8.276 7.293 0.597 258 1HG2 VAL 27 1HG2 VAL 27 9.301 4.521 0.073 259 2HG2 VAL 27 2HG2 VAL 27 7.834 5.278 -0.548 260 3HG2 VAL 27 3HG2 VAL 27 7.740 3.740 0.308 261 H ILE 28 H ILE 28 9.557 2.428 2.019 262 HA ILE 28 HA ILE 28 12.323 3.011 2.597 263 HB ILE 28 HB ILE 28 11.068 0.513 1.416 264 1HG1 ILE 28 2HG1 ILE 28 10.250 0.939 3.677 265 2HG1 ILE 28 1HG1 ILE 28 11.320 -0.455 3.666 266 1HG2 ILE 28 1HG2 ILE 28 13.423 0.669 0.849 267 2HG2 ILE 28 2HG2 ILE 28 13.147 -0.621 2.015 268 3HG2 ILE 28 3HG2 ILE 28 13.837 0.916 2.547 269 1HD1 ILE 28 1HD1 ILE 28 12.041 2.328 4.579 270 2HD1 ILE 28 2HD1 ILE 28 13.121 0.934 4.575 271 3HD1 ILE 28 3HD1 ILE 28 11.698 0.944 5.619 272 H HIS 29 H HIS 29 10.230 2.603 -0.228 273 HA HIS 29 HA HIS 29 12.179 3.756 -2.000 274 1HB HIS 29 2HB HIS 29 11.551 0.812 -2.228 275 2HB HIS 29 1HB HIS 29 12.086 1.759 -3.597 276 HD1 HIS 29 1HD HIS 29 13.324 -0.557 -1.250 277 HD2 HIS 29 2HD HIS 29 14.769 3.035 -2.751 278 HE1 HIS 29 1HE HIS 29 15.804 -0.641 -0.943 279 HE2 HIS 29 2HE HIS 29 16.533 1.709 -1.494 280 H LEU 30 H LEU 30 11.320 3.758 -4.224 281 HA LEU 30 HA LEU 30 8.403 3.776 -4.132 282 1HB LEU 30 2HB LEU 30 10.256 5.260 -6.029 283 2HB LEU 30 1HB LEU 30 8.512 5.219 -6.142 284 HG LEU 30 HG LEU 30 9.114 7.318 -5.272 285 1HD1 LEU 30 1HD1 LEU 30 8.071 5.629 -3.036 286 2HD1 LEU 30 2HD1 LEU 30 7.140 6.426 -4.305 287 3HD1 LEU 30 3HD1 LEU 30 8.006 7.390 -3.108 288 1HD2 LEU 30 1HD2 LEU 30 10.711 5.920 -3.125 289 2HD2 LEU 30 2HD2 LEU 30 10.408 7.658 -3.208 290 3HD2 LEU 30 3HD2 LEU 30 11.362 6.870 -4.463 291 H ALA 31 H ALA 31 7.508 2.253 -5.064 292 HA ALA 31 HA ALA 31 8.832 0.660 -7.150 293 1HB ALA 31 1HB ALA 31 7.099 -0.996 -6.827 294 2HB ALA 31 2HB ALA 31 6.258 0.044 -5.694 295 3HB ALA 31 3HB ALA 31 7.846 -0.625 -5.277 296 H LYS 32 H LYS 32 7.822 0.187 -9.041 297 HA LYS 32 HA LYS 32 5.806 2.147 -9.841 298 1HB LYS 32 2HB LYS 32 7.942 2.272 -11.091 299 2HB LYS 32 1HB LYS 32 7.770 0.579 -11.530 300 1HG LYS 32 2HG LYS 32 5.779 1.089 -12.820 301 2HG LYS 32 1HG LYS 32 5.882 2.786 -12.335 302 1HD LYS 32 2HD LYS 32 8.071 2.945 -13.426 303 2HD LYS 32 1HD LYS 32 7.935 1.258 -13.925 304 1HE LYS 32 2HE LYS 32 5.965 1.802 -15.246 305 2HE LYS 32 1HE LYS 32 6.063 3.482 -14.717 306 1HZ LYS 32 1HZ LYS 32 7.043 3.245 -16.900 307 2HZ LYS 32 2HZ LYS 32 8.107 2.044 -16.323 308 3HZ LYS 32 3HZ LYS 32 8.251 3.605 -15.768 309 H ALA 33 H ALA 33 3.838 1.310 -10.432 310 HA ALA 33 HA ALA 33 3.299 -1.380 -10.067 311 1HB ALA 33 1HB ALA 33 1.838 0.677 -11.707 312 2HB ALA 33 2HB ALA 33 1.569 0.308 -10.001 313 3HB ALA 33 3HB ALA 33 1.194 -0.890 -11.236 314 H CYS 34 H CYS 34 4.108 -2.935 -11.300 315 HA CYS 34 HA CYS 34 5.092 -2.420 -13.982 316 1HB CYS 34 2HB CYS 34 6.356 -3.739 -12.298 317 2HB CYS 34 1HB CYS 34 5.092 -4.953 -12.334 318 HG CYS 34 HG CYS 34 7.566 -4.341 -14.488 319 H CYS 35 H CYS 35 2.247 -3.419 -12.546 320 HA CYS 35 HA CYS 35 1.109 -4.358 -15.023 321 1HB CYS 35 2HB CYS 35 1.988 -6.387 -13.870 322 2HB CYS 35 1HB CYS 35 1.103 -5.938 -12.422 323 HG CYS 35 HG CYS 35 -0.710 -6.317 -15.221 324 H ASP 36 H ASP 36 -1.264 -4.139 -14.839 325 HA ASP 36 HA ASP 36 -1.974 -2.371 -12.626 326 1HB ASP 36 2HB ASP 36 -3.833 -1.527 -13.907 327 2HB ASP 36 1HB ASP 36 -2.437 -1.529 -14.957 328 H VAL 37 H VAL 37 -2.878 -3.197 -11.024 329 HA VAL 37 HA VAL 37 -4.485 -5.626 -11.391 330 HB VAL 37 HB VAL 37 -2.299 -5.908 -10.144 331 1HG1 VAL 37 1HG1 VAL 37 -3.736 -4.294 -8.121 332 2HG1 VAL 37 2HG1 VAL 37 -2.293 -3.845 -9.024 333 3HG1 VAL 37 3HG1 VAL 37 -2.222 -5.170 -7.846 334 1HG2 VAL 37 1HG2 VAL 37 -4.058 -7.548 -9.879 335 2HG2 VAL 37 2HG2 VAL 37 -4.800 -6.566 -8.608 336 3HG2 VAL 37 3HG2 VAL 37 -3.208 -7.290 -8.354 337 H LYS 38 H LYS 38 -6.227 -5.852 -9.678 338 HA LYS 38 HA LYS 38 -7.178 -3.196 -8.916 339 1HB LYS 38 2HB LYS 38 -9.459 -3.953 -9.492 340 2HB LYS 38 1HB LYS 38 -8.370 -3.875 -10.871 341 1HG LYS 38 2HG LYS 38 -8.003 -6.370 -10.475 342 2HG LYS 38 1HG LYS 38 -9.443 -6.280 -9.461 343 1HD LYS 38 2HD LYS 38 -9.200 -5.444 -12.298 344 2HD LYS 38 1HD LYS 38 -9.958 -6.952 -11.770 345 1HE LYS 38 2HE LYS 38 -11.612 -5.583 -10.484 346 2HE LYS 38 1HE LYS 38 -10.901 -4.131 -11.191 347 1HZ LYS 38 1HZ LYS 38 -12.829 -4.750 -12.424 348 2HZ LYS 38 2HZ LYS 38 -12.241 -6.337 -12.656 349 3HZ LYS 38 3HZ LYS 38 -11.474 -5.026 -13.388 350 H GLY 39 H GLY 39 -5.821 -5.464 -7.470 351 1HA GLY 39 2HA GLY 39 -5.823 -5.853 -5.183 352 2HA GLY 39 1HA GLY 39 -7.408 -5.148 -5.055 353 H GLY 40 H GLY 40 -5.933 -8.024 -6.556 354 1HA GLY 40 2HA GLY 40 -8.262 -9.564 -5.677 355 2HA GLY 40 1HA GLY 40 -7.040 -10.101 -6.828 356 H LYS 41 H LYS 41 -8.151 -11.162 -4.134 357 HA LYS 41 HA LYS 41 -7.407 -12.418 -2.415 358 1HB LYS 41 2HB LYS 41 -5.862 -13.378 -4.142 359 2HB LYS 41 1HB LYS 41 -4.684 -12.141 -3.764 360 1HG LYS 41 2HG LYS 41 -4.425 -13.104 -1.512 361 2HG LYS 41 1HG LYS 41 -5.608 -14.348 -1.925 362 1HD LYS 41 2HD LYS 41 -3.049 -13.889 -3.452 363 2HD LYS 41 1HD LYS 41 -3.211 -15.060 -2.143 364 1HE LYS 41 2HE LYS 41 -4.912 -15.049 -4.636 365 2HE LYS 41 1HE LYS 41 -3.453 -16.020 -4.442 366 1HZ LYS 41 1HZ LYS 41 -5.861 -16.205 -2.692 367 2HZ LYS 41 2HZ LYS 41 -4.478 -17.142 -2.581 368 3HZ LYS 41 3HZ LYS 41 -5.478 -17.263 -3.954 369 H ASN 42 H ASN 42 -7.685 -9.662 -2.211 370 HA ASN 42 HA ASN 42 -7.289 -7.843 -1.048 371 1HB ASN 42 2HB ASN 42 -6.003 -9.776 0.902 372 2HB ASN 42 1HB ASN 42 -6.146 -8.057 1.240 373 1HD2 ASN 42 1HD2 ASN 42 -7.798 -11.089 1.080 374 2HD2 ASN 42 2HD2 ASN 42 -9.310 -10.508 1.691 375 H GLU 43 H GLU 43 -6.159 -6.866 -2.548 376 HA GLU 43 HA GLU 43 -3.308 -6.607 -2.005 377 1HB GLU 43 2HB GLU 43 -3.932 -8.269 -3.965 378 2HB GLU 43 1HB GLU 43 -4.361 -6.818 -4.819 379 1HG GLU 43 2HG GLU 43 -2.163 -5.996 -4.858 380 2HG GLU 43 1HG GLU 43 -1.622 -7.151 -3.636 381 H LEU 44 H LEU 44 -2.688 -4.714 -3.748 382 HA LEU 44 HA LEU 44 -4.468 -2.533 -3.016 383 1HB LEU 44 2HB LEU 44 -1.731 -2.850 -3.065 384 2HB LEU 44 1HB LEU 44 -2.044 -2.062 -4.592 385 HG LEU 44 HG LEU 44 -2.785 -0.975 -1.882 386 1HD1 LEU 44 1HD1 LEU 44 -1.157 0.687 -2.372 387 2HD1 LEU 44 2HD1 LEU 44 -0.730 -0.179 -3.867 388 3HD1 LEU 44 3HD1 LEU 44 -0.479 -0.945 -2.271 389 1HD2 LEU 44 1HD2 LEU 44 -3.058 0.289 -4.592 390 2HD2 LEU 44 2HD2 LEU 44 -3.330 1.073 -3.036 391 3HD2 LEU 44 3HD2 LEU 44 -4.387 -0.244 -3.551 392 H SER 45 H SER 45 -5.257 -1.127 -4.690 393 HA SER 45 HA SER 45 -5.228 -2.344 -7.275 394 1HB SER 45 2HB SER 45 -7.249 -0.762 -7.605 395 2HB SER 45 1HB SER 45 -7.457 -2.168 -6.554 396 HG SER 45 HG SER 45 -7.352 0.529 -5.959 397 H PHE 46 H PHE 46 -4.210 -1.358 -8.891 398 HA PHE 46 HA PHE 46 -3.733 1.450 -8.932 399 1HB PHE 46 2HB PHE 46 -1.199 1.067 -9.120 400 2HB PHE 46 1HB PHE 46 -1.902 1.042 -7.497 401 HD1 PHE 46 1HD PHE 46 -1.676 -0.874 -6.159 402 HD2 PHE 46 2HD PHE 46 -0.603 -1.048 -10.263 403 HE1 PHE 46 1HE PHE 46 -0.599 -3.043 -5.782 404 HE2 PHE 46 2HE PHE 46 0.484 -3.220 -9.897 405 HZ PHE 46 HZ PHE 46 0.480 -4.225 -7.655 406 H LYS 47 H LYS 47 -2.427 2.006 -10.850 407 HA LYS 47 HA LYS 47 -2.891 0.046 -12.976 408 1HB LYS 47 2HB LYS 47 -3.086 3.045 -12.972 409 2HB LYS 47 1HB LYS 47 -2.820 2.159 -14.470 410 1HG LYS 47 2HG LYS 47 -5.106 1.606 -12.607 411 2HG LYS 47 1HG LYS 47 -5.224 2.729 -13.980 412 1HD LYS 47 2HD LYS 47 -4.591 0.885 -15.481 413 2HD LYS 47 1HD LYS 47 -4.499 -0.197 -14.097 414 1HE LYS 47 2HE LYS 47 -6.887 0.154 -13.677 415 2HE LYS 47 1HE LYS 47 -6.967 1.226 -15.074 416 1HZ LYS 47 1HZ LYS 47 -6.314 -0.606 -16.491 417 2HZ LYS 47 2HZ LYS 47 -7.696 -1.053 -15.649 418 3HZ LYS 47 3HZ LYS 47 -6.190 -1.651 -15.192 419 H GLN 48 H GLN 48 -1.326 -0.238 -14.484 420 HA GLN 48 HA GLN 48 1.292 -0.353 -13.656 421 1HB GLN 48 2HB GLN 48 0.225 -1.552 -15.583 422 2HB GLN 48 1HB GLN 48 0.363 -0.074 -16.517 423 1HG GLN 48 2HG GLN 48 2.847 -0.200 -16.114 424 2HG GLN 48 1HG GLN 48 2.561 -1.794 -15.436 425 1HE2 GLN 48 1HE2 GLN 48 2.556 0.095 -18.310 426 2HE2 GLN 48 2HE2 GLN 48 2.411 -1.204 -19.436 427 H GLY 49 H GLY 49 2.838 1.100 -13.420 428 1HA GLY 49 2HA GLY 49 4.164 2.972 -13.803 429 2HA GLY 49 1HA GLY 49 3.068 3.446 -15.084 430 H GLU 50 H GLU 50 1.455 2.836 -12.145 431 HA GLU 50 HA GLU 50 0.584 5.522 -11.884 432 1HB GLU 50 2HB GLU 50 -0.596 3.366 -11.156 433 2HB GLU 50 1HB GLU 50 0.418 3.450 -9.747 434 1HG GLU 50 2HG GLU 50 -0.455 5.575 -9.090 435 2HG GLU 50 1HG GLU 50 -1.432 5.663 -10.553 436 H GLN 51 H GLN 51 2.866 3.620 -10.167 437 HA GLN 51 HA GLN 51 4.713 4.131 -8.918 438 1HB GLN 51 2HB GLN 51 4.992 6.396 -9.713 439 2HB GLN 51 1HB GLN 51 3.636 6.950 -8.747 440 1HG GLN 51 2HG GLN 51 4.915 6.422 -6.710 441 2HG GLN 51 1HG GLN 51 6.284 5.963 -7.724 442 1HE2 GLN 51 1HE2 GLN 51 4.272 8.570 -6.665 443 2HE2 GLN 51 2HE2 GLN 51 5.323 9.848 -7.125 444 H ILE 52 H ILE 52 4.812 3.122 -7.206 445 HA ILE 52 HA ILE 52 2.748 3.413 -5.145 446 HB ILE 52 HB ILE 52 4.286 0.909 -5.890 447 1HG1 ILE 52 2HG1 ILE 52 1.603 1.880 -6.932 448 2HG1 ILE 52 1HG1 ILE 52 3.086 1.581 -7.823 449 1HG2 ILE 52 1HG2 ILE 52 2.474 -0.238 -4.681 450 2HG2 ILE 52 2HG2 ILE 52 1.711 1.317 -4.345 451 3HG2 ILE 52 3HG2 ILE 52 3.280 0.937 -3.641 452 1HD1 ILE 52 1HD1 ILE 52 1.452 -0.148 -8.158 453 2HD1 ILE 52 2HD1 ILE 52 1.475 -0.505 -6.431 454 3HD1 ILE 52 3HD1 ILE 52 2.924 -0.756 -7.409 455 H GLU 53 H GLU 53 3.702 2.929 -2.983 456 HA GLU 53 HA GLU 53 6.635 3.356 -2.885 457 1HB GLU 53 2HB GLU 53 4.773 3.824 -0.589 458 2HB GLU 53 1HB GLU 53 6.386 4.366 -0.935 459 1HG GLU 53 2HG GLU 53 5.819 6.013 -2.352 460 2HG GLU 53 1HG GLU 53 4.256 5.311 -2.760 461 H ILE 54 H ILE 54 7.783 1.913 -1.631 462 HA ILE 54 HA ILE 54 6.226 -0.351 -0.625 463 HB ILE 54 HB ILE 54 7.945 -0.990 -2.280 464 1HG1 ILE 54 2HG1 ILE 54 9.235 -2.636 -0.921 465 2HG1 ILE 54 1HG1 ILE 54 8.548 -1.890 0.513 466 1HG2 ILE 54 1HG2 ILE 54 9.542 0.770 -1.953 467 2HG2 ILE 54 2HG2 ILE 54 10.314 -0.809 -1.796 468 3HG2 ILE 54 3HG2 ILE 54 9.936 0.135 -0.358 469 1HD1 ILE 54 1HD1 ILE 54 6.327 -2.453 -0.254 470 2HD1 ILE 54 2HD1 ILE 54 7.361 -3.873 -0.099 471 3HD1 ILE 54 3HD1 ILE 54 7.017 -3.204 -1.697 472 H ILE 55 H ILE 55 6.055 -0.682 1.459 473 HA ILE 55 HA ILE 55 7.826 0.844 3.196 474 HB ILE 55 HB ILE 55 5.963 0.454 4.996 475 1HG1 ILE 55 2HG1 ILE 55 4.586 -0.905 3.261 476 2HG1 ILE 55 1HG1 ILE 55 3.696 0.202 4.278 477 1HG2 ILE 55 1HG2 ILE 55 6.730 2.608 4.341 478 2HG2 ILE 55 2HG2 ILE 55 4.967 2.628 4.431 479 3HG2 ILE 55 3HG2 ILE 55 5.770 2.551 2.862 480 1HD1 ILE 55 1HD1 ILE 55 3.702 1.824 2.387 481 2HD1 ILE 55 2HD1 ILE 55 2.909 0.296 1.998 482 3HD1 ILE 55 3HD1 ILE 55 4.540 0.616 1.409 483 H ARG 56 H ARG 56 6.168 -2.310 3.104 484 HA ARG 56 HA ARG 56 8.527 -3.226 4.537 485 1HB ARG 56 2HB ARG 56 6.545 -3.332 6.192 486 2HB ARG 56 1HB ARG 56 5.762 -4.343 5.025 487 1HG ARG 56 2HG ARG 56 7.128 -6.119 5.278 488 2HG ARG 56 1HG ARG 56 8.439 -5.195 6.010 489 1HD ARG 56 2HD ARG 56 5.797 -5.540 7.389 490 2HD ARG 56 1HD ARG 56 7.010 -6.818 7.443 491 HE ARG 56 HE ARG 56 7.629 -4.079 8.303 492 1HH1 ARG 56 1HH1 ARG 56 7.373 -7.542 8.985 493 2HH1 ARG 56 2HH1 ARG 56 8.297 -7.538 10.383 494 1HH2 ARG 56 1HH2 ARG 56 8.939 -4.010 10.292 495 2HH2 ARG 56 2HH2 ARG 56 9.232 -5.434 11.160 496 H ILE 57 H ILE 57 9.398 -5.115 3.944 497 HA ILE 57 HA ILE 57 8.304 -6.420 1.560 498 HB ILE 57 HB ILE 57 10.795 -6.785 0.891 499 1HG1 ILE 57 2HG1 ILE 57 11.750 -5.626 2.919 500 2HG1 ILE 57 1HG1 ILE 57 12.395 -5.072 1.378 501 1HG2 ILE 57 1HG2 ILE 57 9.445 -4.182 0.340 502 2HG2 ILE 57 2HG2 ILE 57 9.282 -5.700 -0.546 503 3HG2 ILE 57 3HG2 ILE 57 10.818 -4.833 -0.552 504 1HD1 ILE 57 1HD1 ILE 57 11.976 -3.184 2.888 505 2HD1 ILE 57 2HD1 ILE 57 10.291 -3.720 3.021 506 3HD1 ILE 57 3HD1 ILE 57 10.882 -3.132 1.482 507 H THR 58 H THR 58 10.324 -6.641 4.439 508 HA THR 58 HA THR 58 10.291 -9.528 4.087 509 HB THR 58 HB THR 58 12.386 -9.345 5.619 510 HG1 THR 58 1HG THR 58 12.337 -7.164 6.081 511 1HG2 THR 58 1HG2 THR 58 13.824 -9.117 3.640 512 2HG2 THR 58 2HG2 THR 58 12.459 -8.457 2.735 513 3HG2 THR 58 3HG2 THR 58 12.417 -10.126 3.301 514 H ASP 59 H ASP 59 10.619 -10.667 6.233 515 HA ASP 59 HA ASP 59 9.711 -11.369 8.136 516 1HB ASP 59 2HB ASP 59 11.115 -9.560 9.123 517 2HB ASP 59 1HB ASP 59 9.783 -8.432 8.938 518 H ASN 60 H ASN 60 7.960 -11.822 6.649 519 HA ASN 60 HA ASN 60 5.448 -10.710 7.619 520 1HB ASN 60 2HB ASN 60 4.595 -10.421 5.319 521 2HB ASN 60 1HB ASN 60 6.025 -9.434 5.554 522 1HD2 ASN 60 1HD2 ASN 60 6.527 -9.307 3.397 523 2HD2 ASN 60 2HD2 ASN 60 7.095 -10.636 2.480 524 HA PRO 61 HA PRO 61 4.404 -15.029 7.152 525 1HB PRO 61 2HB PRO 61 1.759 -15.058 6.983 526 2HB PRO 61 1HB PRO 61 2.572 -14.373 8.396 527 1HG PRO 61 2HG PRO 61 1.241 -12.989 6.119 528 2HG PRO 61 1HG PRO 61 1.331 -12.516 7.824 529 1HD PRO 61 2HD PRO 61 2.951 -11.567 5.709 530 2HD PRO 61 1HD PRO 61 3.202 -11.293 7.444 531 H GLU 62 H GLU 62 4.605 -13.439 4.327 532 HA GLU 62 HA GLU 62 3.395 -15.651 2.796 533 1HB GLU 62 2HB GLU 62 1.931 -13.514 2.928 534 2HB GLU 62 1HB GLU 62 3.126 -12.790 1.876 535 1HG GLU 62 2HG GLU 62 1.383 -15.177 1.224 536 2HG GLU 62 1HG GLU 62 1.145 -13.536 0.656 537 H GLY 63 H GLY 63 5.028 -12.586 2.003 538 1HA GLY 63 2HA GLY 63 7.473 -13.026 1.344 539 2HA GLY 63 1HA GLY 63 6.710 -14.038 0.111 540 H LYS 64 H LYS 64 4.395 -12.349 -0.007 541 HA LYS 64 HA LYS 64 5.002 -10.521 -1.993 542 1HB LYS 64 2HB LYS 64 2.725 -9.893 -1.891 543 2HB LYS 64 1HB LYS 64 2.792 -11.598 -1.494 544 1HG LYS 64 2HG LYS 64 2.762 -10.735 0.969 545 2HG LYS 64 1HG LYS 64 2.132 -9.266 0.238 546 1HD LYS 64 2HD LYS 64 0.951 -12.034 0.059 547 2HD LYS 64 1HD LYS 64 0.270 -10.639 0.886 548 1HE LYS 64 2HE LYS 64 -0.071 -9.510 -1.227 549 2HE LYS 64 1HE LYS 64 0.739 -10.825 -2.083 550 1HZ LYS 64 1HZ LYS 64 -1.642 -11.062 -2.250 551 2HZ LYS 64 2HZ LYS 64 -1.798 -11.042 -0.568 552 3HZ LYS 64 3HZ LYS 64 -1.017 -12.323 -1.318 553 H TRP 65 H TRP 65 4.450 -8.132 -1.853 554 HA TRP 65 HA TRP 65 6.056 -7.069 0.366 555 1HB TRP 65 2HB TRP 65 5.576 -6.117 -2.433 556 2HB TRP 65 1HB TRP 65 6.395 -5.126 -1.246 557 HD1 TRP 65 HD TRP 65 7.899 -8.032 -0.174 558 HE1 TRP 65 1HE TRP 65 9.975 -8.749 -1.495 559 HE3 TRP 65 3HE TRP 65 7.140 -5.275 -4.417 560 HZ2 TRP 65 2HZ TRP 65 11.149 -8.207 -4.014 561 HZ3 TRP 65 3HZ TRP 65 8.792 -5.433 -6.232 562 HH2 TRP 65 HH TRP 65 10.750 -6.869 -6.034 563 H LEU 66 H LEU 66 5.481 -4.802 1.004 564 HA LEU 66 HA LEU 66 2.564 -4.441 0.920 565 1HB LEU 66 2HB LEU 66 3.479 -4.818 3.174 566 2HB LEU 66 1HB LEU 66 4.555 -3.448 2.964 567 HG LEU 66 HG LEU 66 2.536 -1.991 2.729 568 1HD1 LEU 66 1HD1 LEU 66 0.966 -3.674 2.069 569 2HD1 LEU 66 2HD1 LEU 66 0.433 -2.832 3.539 570 3HD1 LEU 66 3HD1 LEU 66 1.128 -4.457 3.647 571 1HD2 LEU 66 1HD2 LEU 66 2.786 -3.530 5.294 572 2HD2 LEU 66 2HD2 LEU 66 2.014 -1.955 5.098 573 3HD2 LEU 66 3HD2 LEU 66 3.749 -2.132 4.818 574 H GLY 67 H GLY 67 2.092 -2.963 -0.581 575 1HA GLY 67 2HA GLY 67 3.917 -0.691 -0.835 576 2HA GLY 67 1HA GLY 67 2.980 -1.348 -2.177 577 H ARG 68 H ARG 68 2.937 1.324 -1.428 578 HA ARG 68 HA ARG 68 0.097 1.574 -0.733 579 1HB ARG 68 2HB ARG 68 1.219 2.120 1.238 580 2HB ARG 68 1HB ARG 68 2.318 3.275 0.453 581 1HG ARG 68 2HG ARG 68 0.179 4.580 -0.077 582 2HG ARG 68 1HG ARG 68 -0.648 3.486 1.029 583 1HD ARG 68 2HD ARG 68 -0.061 5.470 2.201 584 2HD ARG 68 1HD ARG 68 0.934 4.146 2.796 585 HE ARG 68 HE ARG 68 2.273 5.564 0.725 586 1HH1 ARG 68 1HH1 ARG 68 1.284 5.999 4.113 587 2HH1 ARG 68 2HH1 ARG 68 2.662 6.926 4.504 588 1HH2 ARG 68 1HH2 ARG 68 4.089 6.844 1.252 589 2HH2 ARG 68 2HH2 ARG 68 4.293 7.452 2.832 590 H THR 69 H THR 69 -0.999 3.001 -1.709 591 HA THR 69 HA THR 69 0.181 4.378 -3.998 592 HB THR 69 HB THR 69 -2.304 4.601 -4.608 593 HG1 THR 69 1HG THR 69 -3.697 3.318 -3.503 594 1HG2 THR 69 1HG2 THR 69 -1.007 1.864 -4.471 595 2HG2 THR 69 2HG2 THR 69 -0.750 3.066 -5.740 596 3HG2 THR 69 3HG2 THR 69 -2.333 2.316 -5.543 597 H ALA 70 H ALA 70 -0.910 6.480 -4.546 598 HA ALA 70 HA ALA 70 -0.444 8.410 -2.600 599 1HB ALA 70 1HB ALA 70 -1.415 10.008 -4.139 600 2HB ALA 70 2HB ALA 70 -2.189 8.704 -5.038 601 3HB ALA 70 3HB ALA 70 -0.431 8.834 -5.016 602 H ARG 71 H ARG 71 -3.374 6.656 -3.174 603 HA ARG 71 HA ARG 71 -4.997 8.450 -1.621 604 1HB ARG 71 2HB ARG 71 -6.147 7.212 -3.352 605 2HB ARG 71 1HB ARG 71 -5.527 5.684 -2.768 606 1HG ARG 71 2HG ARG 71 -7.400 7.287 -1.040 607 2HG ARG 71 1HG ARG 71 -8.036 6.337 -2.386 608 1HD ARG 71 2HD ARG 71 -7.069 4.325 -1.474 609 2HD ARG 71 1HD ARG 71 -6.255 5.237 -0.219 610 HE ARG 71 HE ARG 71 -9.035 5.624 -0.019 611 1HH1 ARG 71 1HH1 ARG 71 -6.631 3.044 0.376 612 2HH1 ARG 71 2HH1 ARG 71 -7.381 2.355 1.751 613 1HH2 ARG 71 1HH2 ARG 71 -10.129 4.560 1.857 614 2HH2 ARG 71 2HH2 ARG 71 -9.357 3.208 2.575 615 H GLY 72 H GLY 72 -2.754 6.019 -0.883 616 1HA GLY 72 2HA GLY 72 -2.010 5.314 1.136 617 2HA GLY 72 1HA GLY 72 -3.327 6.144 1.944 618 H SER 73 H SER 73 -2.280 3.174 0.425 619 HA SER 73 HA SER 73 -4.431 1.735 1.419 620 1HB SER 73 2HB SER 73 -3.681 1.751 -1.487 621 2HB SER 73 1HB SER 73 -4.915 0.764 -0.748 622 HG SER 73 HG SER 73 -5.366 2.920 -1.958 623 H TYR 74 H TYR 74 -3.416 0.145 1.987 624 HA TYR 74 HA TYR 74 -0.613 -0.292 1.244 625 1HB TYR 74 2HB TYR 74 -2.324 -0.554 3.434 626 2HB TYR 74 1HB TYR 74 -0.899 -1.651 3.511 627 HD1 TYR 74 1HD TYR 74 1.285 -0.473 4.038 628 HD2 TYR 74 2HD TYR 74 -2.337 1.738 3.823 629 HE1 TYR 74 1HE TYR 74 2.377 1.411 5.174 630 HE2 TYR 74 2HE TYR 74 -1.255 3.634 4.954 631 HH TYR 74 HH TYR 74 2.175 3.735 5.577 632 H GLY 75 H GLY 75 -1.599 -1.398 -0.577 633 1HA GLY 75 2HA GLY 75 -2.996 -3.814 0.131 634 2HA GLY 75 1HA GLY 75 -2.783 -3.149 -1.494 635 H TYR 76 H TYR 76 -1.486 -4.837 1.000 636 HA TYR 76 HA TYR 76 1.038 -5.552 0.265 637 1HB TYR 76 2HB TYR 76 -0.175 -8.065 0.861 638 2HB TYR 76 1HB TYR 76 0.765 -7.069 1.957 639 HD1 TYR 76 1HD TYR 76 -0.377 -5.622 3.606 640 HD2 TYR 76 2HD TYR 76 -2.567 -8.016 0.865 641 HE1 TYR 76 1HE TYR 76 -2.410 -5.220 4.879 642 HE2 TYR 76 2HE TYR 76 -4.619 -7.615 2.142 643 HH TYR 76 HH TYR 76 -4.908 -5.228 4.417 644 H ILE 77 H ILE 77 1.592 -5.556 -1.680 645 HA ILE 77 HA ILE 77 0.232 -6.556 -3.901 646 HB ILE 77 HB ILE 77 2.544 -6.157 -4.836 647 1HG1 ILE 77 2HG1 ILE 77 2.705 -4.626 -2.247 648 2HG1 ILE 77 1HG1 ILE 77 3.789 -5.870 -2.846 649 1HG2 ILE 77 1HG2 ILE 77 0.551 -4.815 -5.348 650 2HG2 ILE 77 2HG2 ILE 77 1.947 -3.742 -5.111 651 3HG2 ILE 77 3HG2 ILE 77 0.752 -3.932 -3.822 652 1HD1 ILE 77 1HD1 ILE 77 3.444 -3.122 -3.990 653 2HD1 ILE 77 2HD1 ILE 77 4.540 -4.370 -4.591 654 3HD1 ILE 77 3HD1 ILE 77 4.786 -3.679 -2.981 655 H LYS 78 H LYS 78 0.650 -8.231 -5.008 656 HA LYS 78 HA LYS 78 2.641 -10.006 -4.091 657 1HB LYS 78 2HB LYS 78 2.028 -11.349 -6.059 658 2HB LYS 78 1HB LYS 78 0.587 -10.886 -5.159 659 1HG LYS 78 2HG LYS 78 0.198 -9.085 -6.727 660 2HG LYS 78 1HG LYS 78 1.721 -9.597 -7.509 661 1HD LYS 78 2HD LYS 78 0.724 -11.705 -8.147 662 2HD LYS 78 1HD LYS 78 -0.722 -11.362 -7.195 663 1HE LYS 78 2HE LYS 78 0.173 -9.759 -9.577 664 2HE LYS 78 1HE LYS 78 -1.007 -11.060 -9.648 665 1HZ LYS 78 1HZ LYS 78 -1.989 -8.851 -9.534 666 2HZ LYS 78 2HZ LYS 78 -1.369 -8.600 -7.963 667 3HZ LYS 78 3HZ LYS 78 -2.469 -9.825 -8.249 668 H THR 79 H THR 79 4.326 -9.504 -4.454 669 HA THR 79 HA THR 79 5.995 -7.663 -5.429 670 HB THR 79 HB THR 79 7.841 -9.247 -5.600 671 HG1 THR 79 1HG THR 79 7.420 -11.142 -6.430 672 1HG2 THR 79 1HG2 THR 79 6.949 -8.815 -3.356 673 2HG2 THR 79 2HG2 THR 79 7.556 -10.462 -3.492 674 3HG2 THR 79 3HG2 THR 79 5.818 -10.154 -3.547 675 H THR 80 H THR 80 4.794 -10.270 -7.442 676 HA THR 80 HA THR 80 6.201 -9.631 -9.800 677 HB THR 80 HB THR 80 5.407 -11.882 -9.364 678 HG1 THR 80 1HG THR 80 4.653 -10.549 -11.657 679 1HG2 THR 80 1HG2 THR 80 3.399 -11.354 -8.107 680 2HG2 THR 80 2HG2 THR 80 3.001 -12.445 -9.431 681 3HG2 THR 80 3HG2 THR 80 2.626 -10.726 -9.554 682 H ALA 81 H ALA 81 3.726 -7.826 -8.355 683 HA ALA 81 HA ALA 81 2.654 -6.976 -10.923 684 1HB ALA 81 1HB ALA 81 0.926 -5.851 -9.618 685 2HB ALA 81 2HB ALA 81 1.733 -6.333 -8.123 686 3HB ALA 81 3HB ALA 81 1.036 -7.559 -9.182 687 H VAL 82 H VAL 82 5.157 -6.138 -8.806 688 HA VAL 82 HA VAL 82 5.181 -3.428 -9.921 689 HB VAL 82 HB VAL 82 6.055 -2.492 -7.794 690 1HG1 VAL 82 1HG1 VAL 82 3.258 -3.620 -7.603 691 2HG1 VAL 82 2HG1 VAL 82 3.743 -2.099 -8.361 692 3HG1 VAL 82 3HG1 VAL 82 3.916 -2.307 -6.631 693 1HG2 VAL 82 1HG2 VAL 82 5.128 -5.108 -6.625 694 2HG2 VAL 82 2HG2 VAL 82 5.626 -3.701 -5.699 695 3HG2 VAL 82 3HG2 VAL 82 6.796 -4.541 -6.723 696 H GLU 83 H GLU 83 7.196 -2.371 -9.699 697 HA GLU 83 HA GLU 83 9.540 -4.123 -9.385 698 1HB GLU 83 2HB GLU 83 9.044 -1.915 -11.373 699 2HB GLU 83 1HB GLU 83 10.615 -2.671 -11.125 700 1HG GLU 83 2HG GLU 83 9.589 -4.827 -11.835 701 2HG GLU 83 1HG GLU 83 8.117 -3.945 -12.192 702 H ILE 84 H ILE 84 10.692 -3.292 -7.647 703 HA ILE 84 HA ILE 84 10.014 -0.565 -6.899 704 HB ILE 84 HB ILE 84 11.208 -0.837 -4.841 705 1HG1 ILE 84 2HG1 ILE 84 11.993 -3.650 -5.500 706 2HG1 ILE 84 1HG1 ILE 84 13.009 -2.311 -6.032 707 1HG2 ILE 84 1HG2 ILE 84 10.019 -2.721 -3.818 708 2HG2 ILE 84 2HG2 ILE 84 9.599 -3.314 -5.424 709 3HG2 ILE 84 3HG2 ILE 84 8.974 -1.762 -4.868 710 1HD1 ILE 84 1HD1 ILE 84 13.770 -3.214 -3.921 711 2HD1 ILE 84 2HD1 ILE 84 12.184 -2.843 -3.194 712 3HD1 ILE 84 3HD1 ILE 84 13.226 -1.547 -3.780 713 H ASP 85 H ASP 85 11.637 0.960 -6.334 714 HA ASP 85 HA ASP 85 13.978 0.846 -8.076 715 1HB ASP 85 2HB ASP 85 12.815 2.988 -7.902 716 2HB ASP 85 1HB ASP 85 12.957 2.958 -6.154 717 H TYR 86 H TYR 86 16.096 0.594 -7.295 718 HA TYR 86 HA TYR 86 16.188 -0.512 -4.573 719 1HB TYR 86 2HB TYR 86 17.866 -1.111 -7.001 720 2HB TYR 86 1HB TYR 86 18.288 -1.662 -5.388 721 HD1 TYR 86 1HD TYR 86 16.042 -2.145 -8.244 722 HD2 TYR 86 2HD TYR 86 16.949 -3.354 -4.271 723 HE1 TYR 86 1HE TYR 86 14.645 -4.153 -8.536 724 HE2 TYR 86 2HE TYR 86 15.563 -5.350 -4.551 725 HH TYR 86 HH TYR 86 14.514 -6.451 -7.518 726 H ASP 87 H ASP 87 18.356 -0.445 -3.537 727 HA ASP 87 HA ASP 87 19.652 2.195 -3.844 728 1HB ASP 87 2HB ASP 87 19.074 0.530 -1.443 729 2HB ASP 87 1HB ASP 87 20.611 1.376 -1.465 730 H SER 88 H SER 88 20.102 -1.243 -3.516 731 HA SER 88 HA SER 88 22.994 -0.988 -3.846 732 1HB SER 88 2HB SER 88 21.273 -3.374 -3.140 733 2HB SER 88 1HB SER 88 23.037 -3.308 -3.104 734 HG SER 88 HG SER 88 22.946 -1.821 -1.475 735 H LEU 89 H LEU 89 21.312 -0.447 -6.143 736 HA LEU 89 HA LEU 89 21.329 -2.888 -7.717 737 1HB LEU 89 2HB LEU 89 19.446 -1.171 -7.743 738 2HB LEU 89 1HB LEU 89 20.534 -0.119 -8.624 739 HG LEU 89 HG LEU 89 20.641 -1.793 -10.446 740 1HD1 LEU 89 1HD1 LEU 89 20.198 -3.790 -9.138 741 2HD1 LEU 89 2HD1 LEU 89 19.041 -3.642 -10.464 742 3HD1 LEU 89 3HD1 LEU 89 18.555 -3.234 -8.819 743 1HD2 LEU 89 1HD2 LEU 89 18.372 -1.431 -11.289 744 2HD2 LEU 89 2HD2 LEU 89 19.027 0.034 -10.557 745 3HD2 LEU 89 3HD2 LEU 89 17.852 -0.942 -9.678 746 H LYS 90 H LYS 90 23.736 -1.318 -6.773 747 HA LYS 90 HA LYS 90 25.210 -0.210 -8.889 748 1HB LYS 90 2HB LYS 90 25.772 -0.036 -6.487 749 2HB LYS 90 1HB LYS 90 26.182 -1.738 -6.472 750 1HG LYS 90 2HG LYS 90 28.178 -0.408 -6.527 751 2HG LYS 90 1HG LYS 90 28.012 -1.280 -8.051 752 1HD LYS 90 2HD LYS 90 27.253 0.702 -9.168 753 2HD LYS 90 1HD LYS 90 27.161 1.586 -7.644 754 1HE LYS 90 2HE LYS 90 29.167 2.195 -8.895 755 2HE LYS 90 1HE LYS 90 29.575 1.402 -7.376 756 1HZ LYS 90 1HZ LYS 90 30.942 0.601 -9.154 757 2HZ LYS 90 2HZ LYS 90 29.596 0.138 -10.066 758 3HZ LYS 90 3HZ LYS 90 29.966 -0.654 -8.616 759 H LEU 91 H LEU 91 24.600 -3.470 -7.915 760 HA LEU 91 HA LEU 91 26.513 -4.576 -9.788 761 1HB LEU 91 2HB LEU 91 24.472 -5.917 -7.990 762 2HB LEU 91 1HB LEU 91 25.529 -6.787 -9.075 763 HG LEU 91 HG LEU 91 27.476 -5.864 -7.737 764 1HD1 LEU 91 1HD1 LEU 91 27.053 -5.115 -5.457 765 2HD1 LEU 91 2HD1 LEU 91 25.319 -5.106 -5.779 766 3HD1 LEU 91 3HD1 LEU 91 26.377 -3.993 -6.641 767 1HD2 LEU 91 1HD2 LEU 91 25.496 -7.637 -6.322 768 2HD2 LEU 91 2HD2 LEU 91 27.210 -7.501 -5.936 769 3HD2 LEU 91 3HD2 LEU 91 26.705 -8.149 -7.497 770 H LYS 92 H LYS 92 25.996 -4.874 -11.833 771 HA LYS 92 HA LYS 92 23.303 -4.362 -12.654 772 1HB LYS 92 2HB LYS 92 25.734 -5.037 -14.299 773 2HB LYS 92 1HB LYS 92 24.162 -4.623 -14.957 774 1HG LYS 92 2HG LYS 92 24.331 -2.416 -13.826 775 2HG LYS 92 1HG LYS 92 25.974 -2.851 -13.342 776 1HD LYS 92 2HD LYS 92 26.572 -3.146 -15.708 777 2HD LYS 92 1HD LYS 92 24.944 -2.651 -16.169 778 1HE LYS 92 2HE LYS 92 25.324 -0.484 -15.057 779 2HE LYS 92 1HE LYS 92 26.975 -0.985 -14.697 780 1HZ LYS 92 1HZ LYS 92 27.304 -1.238 -17.138 781 2HZ LYS 92 2HZ LYS 92 27.050 0.322 -16.623 782 3HZ LYS 92 3HZ LYS 92 25.784 -0.516 -17.377 783 H LYS 93 H LYS 93 21.841 -5.799 -12.555 784 HA LYS 93 HA LYS 93 21.989 -8.169 -14.062 785 1HB LYS 93 2HB LYS 93 21.821 -9.860 -12.400 786 2HB LYS 93 1HB LYS 93 23.115 -8.845 -11.814 787 1HG LYS 93 2HG LYS 93 20.267 -8.873 -10.804 788 2HG LYS 93 1HG LYS 93 21.651 -9.611 -10.016 789 1HD LYS 93 2HD LYS 93 22.632 -7.370 -9.707 790 2HD LYS 93 1HD LYS 93 21.216 -6.662 -10.494 791 1HE LYS 93 2HE LYS 93 21.248 -8.244 -7.922 792 2HE LYS 93 1HE LYS 93 20.998 -6.510 -8.082 793 1HZ LYS 93 1HZ LYS 93 19.174 -8.639 -9.108 794 2HZ LYS 93 2HZ LYS 93 18.927 -6.999 -9.335 795 3HZ LYS 93 3HZ LYS 93 18.898 -7.641 -7.773 796 H ASP 94 H ASP 94 19.798 -9.124 -14.135 797 HA ASP 94 HA ASP 94 17.844 -7.164 -13.170 798 1HB ASP 94 2HB ASP 94 18.116 -6.791 -15.555 799 2HB ASP 94 1HB ASP 94 17.854 -8.502 -15.883 800 H LEU 95 H LEU 95 17.710 -10.285 -14.841 801 HA LEU 95 HA LEU 95 16.610 -11.564 -12.529 802 1HB LEU 95 2HB LEU 95 14.659 -10.335 -13.432 803 2HB LEU 95 1HB LEU 95 14.879 -11.146 -14.967 804 HG LEU 95 HG LEU 95 14.419 -13.311 -13.849 805 1HD1 LEU 95 1HD1 LEU 95 15.101 -12.711 -11.590 806 2HD1 LEU 95 2HD1 LEU 95 13.440 -13.305 -11.613 807 3HD1 LEU 95 3HD1 LEU 95 13.759 -11.573 -11.477 808 1HD2 LEU 95 1HD2 LEU 95 12.662 -12.097 -15.009 809 2HD2 LEU 95 2HD2 LEU 95 12.297 -11.197 -13.536 810 3HD2 LEU 95 3HD2 LEU 95 12.019 -12.938 -13.598 811 H GLU 96 H GLU 96 17.523 -13.486 -12.607 812 HA GLU 96 HA GLU 96 17.803 -14.800 -15.184 813 1HB GLU 96 2HB GLU 96 19.987 -13.959 -14.435 814 2HB GLU 96 1HB GLU 96 19.769 -14.765 -12.888 815 1HG GLU 96 2HG GLU 96 19.801 -16.923 -14.006 816 2HG GLU 96 1HG GLU 96 20.011 -16.116 -15.560 Start of MODEL 16 1 1H GLU 1 1HT GLU 1 -21.547 1.425 22.482 2 2H GLU 1 2HT GLU 1 -21.049 0.918 20.923 3 3H GLU 1 3HT GLU 1 -22.246 2.054 21.066 4 HA GLU 1 HA GLU 1 -20.799 3.666 21.937 5 1HB GLU 1 2HB GLU 1 -18.643 1.545 21.624 6 2HB GLU 1 1HB GLU 1 -18.332 3.241 21.936 7 1HG GLU 1 2HG GLU 1 -18.059 2.041 23.974 8 2HG GLU 1 1HG GLU 1 -19.542 2.985 24.102 9 H LYS 2 H LYS 2 -19.797 5.043 20.503 10 HA LYS 2 HA LYS 2 -20.354 4.448 17.756 11 1HB LYS 2 2HB LYS 2 -18.997 6.814 19.046 12 2HB LYS 2 1HB LYS 2 -19.413 6.698 17.349 13 1HG LYS 2 2HG LYS 2 -21.784 6.632 17.926 14 2HG LYS 2 1HG LYS 2 -21.364 6.718 19.644 15 1HD LYS 2 2HD LYS 2 -21.976 8.930 18.773 16 2HD LYS 2 1HD LYS 2 -20.285 8.889 19.275 17 1HE LYS 2 2HE LYS 2 -19.682 8.455 16.875 18 2HE LYS 2 1HE LYS 2 -21.370 8.740 16.465 19 1HZ LYS 2 1HZ LYS 2 -21.174 11.012 17.252 20 2HZ LYS 2 2HZ LYS 2 -19.874 10.687 16.195 21 3HZ LYS 2 3HZ LYS 2 -19.620 10.689 17.837 22 H LYS 3 H LYS 3 -18.960 3.612 16.363 23 HA LYS 3 HA LYS 3 -16.095 3.894 16.942 24 1HB LYS 3 2HB LYS 3 -16.996 1.518 16.555 25 2HB LYS 3 1HB LYS 3 -17.342 2.016 14.900 26 1HG LYS 3 2HG LYS 3 -14.978 2.485 14.536 27 2HG LYS 3 1HG LYS 3 -14.624 2.017 16.197 28 1HD LYS 3 2HD LYS 3 -15.626 -0.244 15.611 29 2HD LYS 3 1HD LYS 3 -15.564 0.284 13.925 30 1HE LYS 3 2HE LYS 3 -13.146 0.711 14.179 31 2HE LYS 3 1HE LYS 3 -13.235 0.097 15.828 32 1HZ LYS 3 1HZ LYS 3 -13.515 -1.379 13.293 33 2HZ LYS 3 2HZ LYS 3 -14.173 -1.994 14.709 34 3HZ LYS 3 3HZ LYS 3 -12.514 -1.726 14.612 35 H GLU 4 H GLU 4 -16.032 6.008 16.233 36 HA GLU 4 HA GLU 4 -16.853 6.389 13.457 37 1HB GLU 4 2HB GLU 4 -18.392 7.470 14.968 38 2HB GLU 4 1HB GLU 4 -17.070 8.286 15.785 39 1HG GLU 4 2HG GLU 4 -16.628 9.621 13.865 40 2HG GLU 4 1HG GLU 4 -17.776 8.696 12.901 41 H GLN 5 H GLN 5 -15.692 7.708 12.194 42 HA GLN 5 HA GLN 5 -12.941 8.271 13.013 43 1HB GLN 5 2HB GLN 5 -14.200 8.210 10.260 44 2HB GLN 5 1HB GLN 5 -12.495 8.410 10.625 45 1HG GLN 5 2HG GLN 5 -12.413 6.142 11.512 46 2HG GLN 5 1HG GLN 5 -14.132 5.945 11.147 47 1HE2 GLN 5 1HE2 GLN 5 -14.776 5.771 9.027 48 2HE2 GLN 5 2HE2 GLN 5 -13.701 5.450 7.732 49 H LYS 6 H LYS 6 -12.488 10.353 13.337 50 HA LYS 6 HA LYS 6 -14.459 12.392 13.032 51 1HB LYS 6 2HB LYS 6 -11.491 12.695 13.561 52 2HB LYS 6 1HB LYS 6 -12.736 13.899 13.864 53 1HG LYS 6 2HG LYS 6 -13.733 12.401 15.552 54 2HG LYS 6 1HG LYS 6 -12.417 11.259 15.282 55 1HD LYS 6 2HD LYS 6 -11.902 12.560 17.226 56 2HD LYS 6 1HD LYS 6 -10.818 13.064 15.927 57 1HE LYS 6 2HE LYS 6 -12.298 14.980 15.473 58 2HE LYS 6 1HE LYS 6 -13.327 14.481 16.814 59 1HZ LYS 6 1HZ LYS 6 -11.847 16.209 17.511 60 2HZ LYS 6 2HZ LYS 6 -10.503 15.349 16.968 61 3HZ LYS 6 3HZ LYS 6 -11.381 14.768 18.294 62 H GLU 7 H GLU 7 -11.588 11.355 11.365 63 HA GLU 7 HA GLU 7 -11.690 13.392 9.339 64 1HB GLU 7 2HB GLU 7 -10.203 10.760 9.410 65 2HB GLU 7 1HB GLU 7 -9.975 12.018 8.213 66 1HG GLU 7 2HG GLU 7 -9.160 13.521 9.961 67 2HG GLU 7 1HG GLU 7 -9.386 12.242 11.154 68 H LYS 8 H LYS 8 -12.104 12.924 7.062 69 HA LYS 8 HA LYS 8 -14.102 10.809 6.705 70 1HB LYS 8 2HB LYS 8 -13.621 13.363 5.145 71 2HB LYS 8 1HB LYS 8 -14.866 12.176 4.776 72 1HG LYS 8 2HG LYS 8 -15.992 12.637 6.845 73 2HG LYS 8 1HG LYS 8 -14.688 13.709 7.357 74 1HD LYS 8 2HD LYS 8 -15.192 15.186 5.453 75 2HD LYS 8 1HD LYS 8 -16.527 14.124 5.003 76 1HE LYS 8 2HE LYS 8 -17.652 14.573 7.075 77 2HE LYS 8 1HE LYS 8 -16.275 15.486 7.680 78 1HZ LYS 8 1HZ LYS 8 -17.988 16.971 6.916 79 2HZ LYS 8 2HZ LYS 8 -17.981 16.282 5.357 80 3HZ LYS 8 3HZ LYS 8 -16.633 17.093 5.926 81 H GLU 9 H GLU 9 -11.085 11.076 6.582 82 HA GLU 9 HA GLU 9 -10.141 10.540 3.977 83 1HB GLU 9 2HB GLU 9 -9.011 9.662 6.638 84 2HB GLU 9 1HB GLU 9 -8.138 9.749 5.120 85 1HG GLU 9 2HG GLU 9 -9.309 12.108 6.577 86 2HG GLU 9 1HG GLU 9 -7.628 11.591 6.666 87 H LYS 10 H LYS 10 -10.328 8.662 2.853 88 HA LYS 10 HA LYS 10 -11.236 6.306 4.324 89 1HB LYS 10 2HB LYS 10 -11.299 6.833 1.341 90 2HB LYS 10 1HB LYS 10 -11.930 5.408 2.146 91 1HG LYS 10 2HG LYS 10 -13.609 6.796 3.268 92 2HG LYS 10 1HG LYS 10 -12.973 8.220 2.440 93 1HD LYS 10 2HD LYS 10 -13.472 7.159 0.276 94 2HD LYS 10 1HD LYS 10 -14.154 5.772 1.123 95 1HE LYS 10 2HE LYS 10 -15.917 7.258 0.362 96 2HE LYS 10 1HE LYS 10 -15.851 7.236 2.123 97 1HZ LYS 10 1HZ LYS 10 -16.110 9.501 1.098 98 2HZ LYS 10 2HZ LYS 10 -14.565 9.335 0.455 99 3HZ LYS 10 3HZ LYS 10 -14.765 9.381 2.100 100 H LYS 11 H LYS 11 -9.306 5.565 5.095 101 HA LYS 11 HA LYS 11 -7.300 4.960 3.076 102 1HB LYS 11 2HB LYS 11 -6.968 5.616 5.998 103 2HB LYS 11 1HB LYS 11 -5.705 4.848 5.055 104 1HG LYS 11 2HG LYS 11 -5.707 6.804 3.539 105 2HG LYS 11 1HG LYS 11 -6.896 7.577 4.593 106 1HD LYS 11 2HD LYS 11 -5.359 7.591 6.426 107 2HD LYS 11 1HD LYS 11 -4.209 6.591 5.536 108 1HE LYS 11 2HE LYS 11 -3.453 8.881 5.547 109 2HE LYS 11 1HE LYS 11 -3.917 8.419 3.915 110 1HZ LYS 11 1HZ LYS 11 -5.560 10.050 5.792 111 2HZ LYS 11 2HZ LYS 11 -5.974 9.638 4.175 112 3HZ LYS 11 3HZ LYS 11 -4.658 10.609 4.478 113 H GLU 12 H GLU 12 -5.979 3.108 3.676 114 HA GLU 12 HA GLU 12 -7.722 0.858 4.141 115 1HB GLU 12 2HB GLU 12 -5.734 1.103 2.452 116 2HB GLU 12 1HB GLU 12 -4.734 0.736 3.842 117 1HG GLU 12 2HG GLU 12 -5.175 -1.234 2.505 118 2HG GLU 12 1HG GLU 12 -5.845 -1.380 4.128 119 H GLN 13 H GLN 13 -8.152 0.255 6.154 120 HA GLN 13 HA GLN 13 -6.528 1.279 8.333 121 1HB GLN 13 2HB GLN 13 -8.988 1.707 8.213 122 2HB GLN 13 1HB GLN 13 -9.258 -0.011 8.366 123 1HG GLN 13 2HG GLN 13 -7.916 1.655 10.498 124 2HG GLN 13 1HG GLN 13 -9.648 1.397 10.426 125 1HE2 GLN 13 1HE2 GLN 13 -6.592 0.056 11.284 126 2HE2 GLN 13 2HE2 GLN 13 -7.182 -1.383 12.021 127 H GLU 14 H GLU 14 -7.850 -1.680 7.248 128 HA GLU 14 HA GLU 14 -6.913 -3.173 9.539 129 1HB GLU 14 2HB GLU 14 -8.249 -4.140 7.028 130 2HB GLU 14 1HB GLU 14 -7.903 -5.145 8.431 131 1HG GLU 14 2HG GLU 14 -9.303 -3.686 9.806 132 2HG GLU 14 1HG GLU 14 -9.671 -2.715 8.382 133 H ILE 15 H ILE 15 -4.862 -2.051 7.759 134 HA ILE 15 HA ILE 15 -3.546 -4.372 6.627 135 HB ILE 15 HB ILE 15 -1.800 -2.802 5.892 136 1HG1 ILE 15 2HG1 ILE 15 -2.841 -0.251 6.193 137 2HG1 ILE 15 1HG1 ILE 15 -3.196 -0.998 7.737 138 1HG2 ILE 15 1HG2 ILE 15 -4.602 -1.956 5.292 139 2HG2 ILE 15 2HG2 ILE 15 -3.697 -3.253 4.516 140 3HG2 ILE 15 3HG2 ILE 15 -3.184 -1.577 4.314 141 1HD1 ILE 15 1HD1 ILE 15 -0.863 -1.524 8.079 142 2HD1 ILE 15 2HD1 ILE 15 -1.096 0.204 7.803 143 3HD1 ILE 15 3HD1 ILE 15 -0.462 -0.817 6.511 144 H LYS 16 H LYS 16 -3.480 -2.489 9.465 145 HA LYS 16 HA LYS 16 -0.868 -2.737 10.252 146 1HB LYS 16 2HB LYS 16 -3.331 -2.380 11.936 147 2HB LYS 16 1HB LYS 16 -1.753 -2.528 12.682 148 1HG LYS 16 2HG LYS 16 -2.281 -0.213 12.548 149 2HG LYS 16 1HG LYS 16 -1.025 -0.531 11.361 150 1HD LYS 16 2HD LYS 16 -2.739 -0.597 9.602 151 2HD LYS 16 1HD LYS 16 -3.975 -0.255 10.808 152 1HE LYS 16 2HE LYS 16 -1.669 1.536 10.047 153 2HE LYS 16 1HE LYS 16 -3.357 1.770 9.610 154 1HZ LYS 16 1HZ LYS 16 -3.816 1.894 12.067 155 2HZ LYS 16 2HZ LYS 16 -2.952 3.169 11.404 156 3HZ LYS 16 3HZ LYS 16 -2.123 2.013 12.298 157 H LYS 17 H LYS 17 -3.493 -4.848 10.913 158 HA LYS 17 HA LYS 17 -1.737 -6.736 12.305 159 1HB LYS 17 2HB LYS 17 -3.920 -6.084 13.266 160 2HB LYS 17 1HB LYS 17 -4.721 -6.791 11.876 161 1HG LYS 17 2HG LYS 17 -3.879 -8.991 12.517 162 2HG LYS 17 1HG LYS 17 -3.072 -8.270 13.915 163 1HD LYS 17 2HD LYS 17 -5.261 -7.459 14.707 164 2HD LYS 17 1HD LYS 17 -6.029 -8.294 13.357 165 1HE LYS 17 2HE LYS 17 -5.202 -10.419 14.188 166 2HE LYS 17 1HE LYS 17 -4.378 -9.592 15.511 167 1HZ LYS 17 1HZ LYS 17 -6.571 -8.780 16.245 168 2HZ LYS 17 2HZ LYS 17 -6.394 -10.433 16.345 169 3HZ LYS 17 3HZ LYS 17 -7.310 -9.742 15.061 170 H LYS 18 H LYS 18 -2.756 -6.197 9.172 171 HA LYS 18 HA LYS 18 -3.363 -8.924 8.453 172 1HB LYS 18 2HB LYS 18 -4.341 -6.854 7.348 173 2HB LYS 18 1HB LYS 18 -2.792 -6.676 6.534 174 1HG LYS 18 2HG LYS 18 -4.325 -7.780 5.063 175 2HG LYS 18 1HG LYS 18 -3.089 -8.940 5.569 176 1HD LYS 18 2HD LYS 18 -5.310 -9.957 5.635 177 2HD LYS 18 1HD LYS 18 -4.626 -9.832 7.258 178 1HE LYS 18 2HE LYS 18 -5.928 -7.736 7.575 179 2HE LYS 18 1HE LYS 18 -6.683 -8.003 6.010 180 1HZ LYS 18 1HZ LYS 18 -7.577 -10.095 6.845 181 2HZ LYS 18 2HZ LYS 18 -8.056 -8.801 7.845 182 3HZ LYS 18 3HZ LYS 18 -6.812 -9.823 8.341 183 H PHE 19 H PHE 19 -0.870 -6.675 7.217 184 HA PHE 19 HA PHE 19 0.867 -8.891 6.502 185 1HB PHE 19 2HB PHE 19 0.681 -6.642 5.251 186 2HB PHE 19 1HB PHE 19 1.491 -5.902 6.610 187 HD1 PHE 19 1HD PHE 19 3.850 -7.247 7.172 188 HD2 PHE 19 2HD PHE 19 1.959 -6.948 3.378 189 HE1 PHE 19 1HE PHE 19 6.028 -7.487 6.066 190 HE2 PHE 19 2HE PHE 19 4.136 -7.198 2.279 191 HZ PHE 19 HZ PHE 19 6.198 -7.428 3.624 192 H LYS 20 H LYS 20 0.177 -6.761 9.034 193 HA LYS 20 HA LYS 20 0.777 -6.413 11.094 194 1HB LYS 20 2HB LYS 20 0.611 -8.836 11.416 195 2HB LYS 20 1HB LYS 20 2.286 -9.024 10.916 196 1HG LYS 20 2HG LYS 20 2.991 -7.670 12.859 197 2HG LYS 20 1HG LYS 20 1.307 -7.575 13.373 198 1HD LYS 20 2HD LYS 20 2.506 -9.310 14.597 199 2HD LYS 20 1HD LYS 20 1.236 -10.009 13.590 200 1HE LYS 20 2HE LYS 20 2.874 -10.643 11.916 201 2HE LYS 20 1HE LYS 20 4.156 -9.862 12.839 202 1HZ LYS 20 1HZ LYS 20 4.105 -12.284 13.195 203 2HZ LYS 20 2HZ LYS 20 2.531 -12.148 13.800 204 3HZ LYS 20 3HZ LYS 20 3.816 -11.406 14.602 205 H LEU 21 H LEU 21 1.752 -4.624 10.732 206 HA LEU 21 HA LEU 21 4.649 -4.712 10.383 207 1HB LEU 21 2HB LEU 21 3.006 -2.154 10.377 208 2HB LEU 21 1HB LEU 21 4.593 -2.433 9.780 209 HG LEU 21 HG LEU 21 3.334 -2.173 7.850 210 1HD1 LEU 21 1HD1 LEU 21 4.888 -3.950 7.665 211 2HD1 LEU 21 2HD1 LEU 21 3.441 -4.308 6.707 212 3HD1 LEU 21 3HD1 LEU 21 3.686 -5.095 8.261 213 1HD2 LEU 21 1HD2 LEU 21 1.287 -4.186 8.855 214 2HD2 LEU 21 2HD2 LEU 21 1.297 -3.447 7.268 215 3HD2 LEU 21 3HD2 LEU 21 1.030 -2.447 8.683 216 H THR 22 H THR 22 2.340 -2.742 12.111 217 HA THR 22 HA THR 22 2.255 -1.872 14.127 218 HB THR 22 HB THR 22 2.605 -3.498 16.055 219 HG1 THR 22 1HG THR 22 3.954 -4.764 14.182 220 1HG2 THR 22 1HG2 THR 22 0.893 -4.395 13.728 221 2HG2 THR 22 2HG2 THR 22 0.435 -3.214 14.956 222 3HG2 THR 22 3HG2 THR 22 0.684 -4.901 15.406 223 H GLY 23 H GLY 23 3.764 -0.285 13.817 224 1HA GLY 23 2HA GLY 23 5.534 0.260 15.746 225 2HA GLY 23 1HA GLY 23 6.496 -0.708 14.635 226 HA PRO 24 HA PRO 24 6.591 3.583 12.956 227 1HB PRO 24 2HB PRO 24 9.452 3.601 13.210 228 2HB PRO 24 1HB PRO 24 8.283 4.575 14.101 229 1HG PRO 24 2HG PRO 24 9.849 2.621 15.244 230 2HG PRO 24 1HG PRO 24 8.294 3.179 15.891 231 1HD PRO 24 2HD PRO 24 8.884 0.750 14.234 232 2HD PRO 24 1HD PRO 24 7.824 0.914 15.656 233 H ILE 25 H ILE 25 6.138 2.956 10.927 234 HA ILE 25 HA ILE 25 8.283 1.711 9.355 235 HB ILE 25 HB ILE 25 6.308 0.247 9.597 236 1HG1 ILE 25 2HG1 ILE 25 6.521 1.363 6.787 237 2HG1 ILE 25 1HG1 ILE 25 7.579 0.147 7.487 238 1HG2 ILE 25 1HG2 ILE 25 4.596 1.873 9.995 239 2HG2 ILE 25 2HG2 ILE 25 4.134 0.847 8.639 240 3HG2 ILE 25 3HG2 ILE 25 4.731 2.481 8.345 241 1HD1 ILE 25 1HD1 ILE 25 4.634 -0.153 6.978 242 2HD1 ILE 25 2HD1 ILE 25 5.701 -1.384 7.668 243 3HD1 ILE 25 3HD1 ILE 25 5.941 -0.836 6.007 244 H GLN 26 H GLN 26 8.404 2.432 7.096 245 HA GLN 26 HA GLN 26 7.232 4.996 6.537 246 1HB GLN 26 2HB GLN 26 9.324 6.136 6.192 247 2HB GLN 26 1HB GLN 26 9.326 5.500 7.834 248 1HG GLN 26 2HG GLN 26 10.806 3.718 7.225 249 2HG GLN 26 1HG GLN 26 10.620 4.103 5.514 250 1HE2 GLN 26 1HE2 GLN 26 13.043 3.946 7.075 251 2HE2 GLN 26 2HE2 GLN 26 13.790 5.490 6.938 252 H VAL 27 H VAL 27 8.266 5.674 4.299 253 HA VAL 27 HA VAL 27 8.080 3.441 2.532 254 HB VAL 27 HB VAL 27 8.704 6.356 2.078 255 1HG1 VAL 27 1HG1 VAL 27 9.905 5.052 0.397 256 2HG1 VAL 27 2HG1 VAL 27 8.550 5.925 -0.329 257 3HG1 VAL 27 3HG1 VAL 27 8.417 4.190 0.001 258 1HG2 VAL 27 1HG2 VAL 27 6.425 5.825 2.625 259 2HG2 VAL 27 2HG2 VAL 27 6.426 4.606 1.333 260 3HG2 VAL 27 3HG2 VAL 27 6.573 6.317 0.923 261 H ILE 28 H ILE 28 9.589 2.410 1.686 262 HA ILE 28 HA ILE 28 12.357 2.894 2.503 263 HB ILE 28 HB ILE 28 11.225 0.479 1.061 264 1HG1 ILE 28 2HG1 ILE 28 10.073 0.670 3.194 265 2HG1 ILE 28 1HG1 ILE 28 11.214 -0.664 3.265 266 1HG2 ILE 28 1HG2 ILE 28 13.798 0.841 2.591 267 2HG2 ILE 28 2HG2 ILE 28 13.631 0.703 0.842 268 3HG2 ILE 28 3HG2 ILE 28 13.234 -0.671 1.877 269 1HD1 ILE 28 1HD1 ILE 28 12.763 0.750 4.533 270 2HD1 ILE 28 2HD1 ILE 28 11.200 0.599 5.334 271 3HD1 ILE 28 3HD1 ILE 28 11.601 2.077 4.457 272 H HIS 29 H HIS 29 10.217 2.776 -0.289 273 HA HIS 29 HA HIS 29 12.024 4.027 -2.080 274 1HB HIS 29 2HB HIS 29 11.622 1.046 -2.438 275 2HB HIS 29 1HB HIS 29 11.991 2.098 -3.786 276 HD1 HIS 29 1HD HIS 29 13.592 -0.241 -1.640 277 HD2 HIS 29 2HD HIS 29 14.638 3.551 -3.035 278 HE1 HIS 29 1HE HIS 29 16.056 -0.118 -1.474 279 HE2 HIS 29 2HE HIS 29 16.627 2.241 -2.006 280 H LEU 30 H LEU 30 11.050 4.008 -4.278 281 HA LEU 30 HA LEU 30 8.152 3.704 -4.054 282 1HB LEU 30 2HB LEU 30 9.732 5.602 -5.821 283 2HB LEU 30 1HB LEU 30 8.013 5.311 -5.986 284 HG LEU 30 HG LEU 30 7.710 6.215 -3.661 285 1HD1 LEU 30 1HD1 LEU 30 10.568 7.101 -3.971 286 2HD1 LEU 30 2HD1 LEU 30 9.956 5.932 -2.800 287 3HD1 LEU 30 3HD1 LEU 30 9.452 7.618 -2.706 288 1HD2 LEU 30 1HD2 LEU 30 8.915 8.061 -5.707 289 2HD2 LEU 30 2HD2 LEU 30 7.909 8.552 -4.342 290 3HD2 LEU 30 3HD2 LEU 30 7.230 7.551 -5.623 291 H ALA 31 H ALA 31 7.353 2.200 -5.101 292 HA ALA 31 HA ALA 31 8.883 0.815 -7.192 293 1HB ALA 31 1HB ALA 31 7.327 -1.012 -6.996 294 2HB ALA 31 2HB ALA 31 6.304 -0.099 -5.908 295 3HB ALA 31 3HB ALA 31 7.925 -0.613 -5.389 296 H LYS 32 H LYS 32 7.891 0.137 -9.066 297 HA LYS 32 HA LYS 32 5.870 2.038 -10.019 298 1HB LYS 32 2HB LYS 32 8.045 2.034 -11.245 299 2HB LYS 32 1HB LYS 32 7.803 0.326 -11.595 300 1HG LYS 32 2HG LYS 32 5.690 0.925 -12.733 301 2HG LYS 32 1HG LYS 32 6.107 2.631 -12.536 302 1HD LYS 32 2HD LYS 32 6.744 1.903 -14.745 303 2HD LYS 32 1HD LYS 32 8.208 2.184 -13.798 304 1HE LYS 32 2HE LYS 32 8.422 -0.187 -13.373 305 2HE LYS 32 1HE LYS 32 6.904 -0.499 -14.205 306 1HZ LYS 32 1HZ LYS 32 9.396 0.546 -15.469 307 2HZ LYS 32 2HZ LYS 32 7.917 0.349 -16.233 308 3HZ LYS 32 3HZ LYS 32 8.720 -0.999 -15.617 309 H ALA 33 H ALA 33 3.981 1.224 -10.294 310 HA ALA 33 HA ALA 33 3.343 -1.517 -10.096 311 1HB ALA 33 1HB ALA 33 1.804 0.756 -11.340 312 2HB ALA 33 2HB ALA 33 1.686 0.227 -9.657 313 3HB ALA 33 3HB ALA 33 1.158 -0.830 -10.965 314 H CYS 34 H CYS 34 4.200 -2.850 -11.525 315 HA CYS 34 HA CYS 34 4.709 -2.023 -14.229 316 1HB CYS 34 2HB CYS 34 5.169 -4.641 -12.836 317 2HB CYS 34 1HB CYS 34 5.737 -4.232 -14.458 318 HG CYS 34 HG CYS 34 7.979 -3.815 -13.256 319 H CYS 35 H CYS 35 2.017 -3.153 -12.750 320 HA CYS 35 HA CYS 35 0.799 -3.788 -15.248 321 1HB CYS 35 2HB CYS 35 1.874 -5.953 -14.537 322 2HB CYS 35 1HB CYS 35 0.852 -5.928 -13.104 323 HG CYS 35 HG CYS 35 -0.207 -6.090 -16.325 324 H ASP 36 H ASP 36 -1.328 -3.434 -15.151 325 HA ASP 36 HA ASP 36 -2.458 -2.241 -12.806 326 1HB ASP 36 2HB ASP 36 -3.165 -1.131 -14.499 327 2HB ASP 36 1HB ASP 36 -3.223 -2.465 -15.658 328 H VAL 37 H VAL 37 -3.075 -3.328 -11.316 329 HA VAL 37 HA VAL 37 -4.578 -5.791 -11.779 330 HB VAL 37 HB VAL 37 -2.349 -6.052 -10.566 331 1HG1 VAL 37 1HG1 VAL 37 -2.288 -5.496 -8.209 332 2HG1 VAL 37 2HG1 VAL 37 -3.861 -4.700 -8.398 333 3HG1 VAL 37 3HG1 VAL 37 -2.453 -4.078 -9.260 334 1HG2 VAL 37 1HG2 VAL 37 -4.789 -6.981 -9.053 335 2HG2 VAL 37 2HG2 VAL 37 -3.162 -7.641 -8.885 336 3HG2 VAL 37 3HG2 VAL 37 -4.031 -7.811 -10.412 337 H LYS 38 H LYS 38 -6.258 -6.185 -10.023 338 HA LYS 38 HA LYS 38 -7.451 -3.627 -9.151 339 1HB LYS 38 2HB LYS 38 -9.592 -4.697 -9.469 340 2HB LYS 38 1HB LYS 38 -8.638 -4.832 -10.939 341 1HG LYS 38 2HG LYS 38 -7.963 -7.137 -10.113 342 2HG LYS 38 1HG LYS 38 -9.249 -6.965 -8.922 343 1HD LYS 38 2HD LYS 38 -9.474 -6.820 -11.871 344 2HD LYS 38 1HD LYS 38 -10.008 -8.189 -10.887 345 1HE LYS 38 2HE LYS 38 -11.584 -6.584 -9.730 346 2HE LYS 38 1HE LYS 38 -11.155 -5.389 -10.952 347 1HZ LYS 38 1HZ LYS 38 -12.480 -7.996 -11.372 348 2HZ LYS 38 2HZ LYS 38 -11.930 -7.038 -12.644 349 3HZ LYS 38 3HZ LYS 38 -13.154 -6.470 -11.641 350 H GLY 39 H GLY 39 -5.563 -5.496 -7.672 351 1HA GLY 39 2HA GLY 39 -5.451 -5.983 -5.368 352 2HA GLY 39 1HA GLY 39 -7.184 -5.718 -5.255 353 H GLY 40 H GLY 40 -4.932 -7.911 -6.829 354 1HA GLY 40 2HA GLY 40 -6.932 -10.017 -6.861 355 2HA GLY 40 1HA GLY 40 -5.332 -10.087 -7.588 356 H LYS 41 H LYS 41 -7.193 -11.338 -5.238 357 HA LYS 41 HA LYS 41 -6.843 -12.694 -3.441 358 1HB LYS 41 2HB LYS 41 -4.047 -12.760 -4.591 359 2HB LYS 41 1HB LYS 41 -4.370 -13.497 -3.042 360 1HG LYS 41 2HG LYS 41 -4.447 -15.299 -4.480 361 2HG LYS 41 1HG LYS 41 -6.140 -14.886 -4.330 362 1HD LYS 41 2HD LYS 41 -4.429 -13.932 -6.627 363 2HD LYS 41 1HD LYS 41 -5.241 -15.489 -6.645 364 1HE LYS 41 2HE LYS 41 -7.396 -14.296 -6.349 365 2HE LYS 41 1HE LYS 41 -6.519 -12.769 -6.450 366 1HZ LYS 41 1HZ LYS 41 -6.745 -14.837 -8.570 367 2HZ LYS 41 2HZ LYS 41 -5.740 -13.509 -8.691 368 3HZ LYS 41 3HZ LYS 41 -7.417 -13.285 -8.606 369 H ASN 42 H ASN 42 -7.125 -10.140 -2.879 370 HA ASN 42 HA ASN 42 -6.871 -8.504 -1.382 371 1HB ASN 42 2HB ASN 42 -6.980 -10.369 0.289 372 2HB ASN 42 1HB ASN 42 -5.225 -10.479 0.238 373 1HD2 ASN 42 1HD2 ASN 42 -4.962 -9.984 2.389 374 2HD2 ASN 42 2HD2 ASN 42 -5.299 -8.423 3.039 375 H GLU 43 H GLU 43 -5.793 -7.225 -2.723 376 HA GLU 43 HA GLU 43 -2.952 -6.848 -2.193 377 1HB GLU 43 2HB GLU 43 -3.461 -8.459 -4.133 378 2HB GLU 43 1HB GLU 43 -4.086 -7.063 -4.965 379 1HG GLU 43 2HG GLU 43 -2.059 -6.212 -5.386 380 2HG GLU 43 1HG GLU 43 -1.359 -6.844 -3.887 381 H LEU 44 H LEU 44 -2.439 -4.786 -3.866 382 HA LEU 44 HA LEU 44 -4.378 -2.759 -3.042 383 1HB LEU 44 2HB LEU 44 -1.612 -2.836 -3.152 384 2HB LEU 44 1HB LEU 44 -2.020 -2.041 -4.655 385 HG LEU 44 HG LEU 44 -2.697 -1.070 -1.877 386 1HD1 LEU 44 1HD1 LEU 44 -1.352 0.793 -2.445 387 2HD1 LEU 44 2HD1 LEU 44 -0.951 0.014 -3.994 388 3HD1 LEU 44 3HD1 LEU 44 -0.472 -0.745 -2.449 389 1HD2 LEU 44 1HD2 LEU 44 -4.538 -0.462 -3.353 390 2HD2 LEU 44 2HD2 LEU 44 -3.377 0.270 -4.481 391 3HD2 LEU 44 3HD2 LEU 44 -3.584 0.941 -2.864 392 H SER 45 H SER 45 -5.186 -1.331 -4.669 393 HA SER 45 HA SER 45 -5.299 -2.587 -7.255 394 1HB SER 45 2HB SER 45 -7.035 -0.354 -6.207 395 2HB SER 45 1HB SER 45 -7.341 -1.377 -7.611 396 HG SER 45 HG SER 45 -7.191 -2.211 -4.919 397 H PHE 46 H PHE 46 -4.034 -1.769 -8.766 398 HA PHE 46 HA PHE 46 -3.519 1.039 -8.905 399 1HB PHE 46 2HB PHE 46 -1.028 0.581 -9.073 400 2HB PHE 46 1HB PHE 46 -1.719 0.517 -7.454 401 HD1 PHE 46 1HD PHE 46 -0.295 -1.433 -10.221 402 HD2 PHE 46 2HD PHE 46 -1.758 -1.549 -6.242 403 HE1 PHE 46 1HE PHE 46 0.718 -3.645 -9.925 404 HE2 PHE 46 2HE PHE 46 -0.751 -3.756 -5.936 405 HZ PHE 46 HZ PHE 46 0.495 -4.812 -7.777 406 H LYS 47 H LYS 47 -2.374 1.522 -10.849 407 HA LYS 47 HA LYS 47 -3.039 -0.425 -12.939 408 1HB LYS 47 2HB LYS 47 -2.833 2.575 -13.229 409 2HB LYS 47 1HB LYS 47 -3.500 1.431 -14.384 410 1HG LYS 47 2HG LYS 47 -5.328 0.947 -12.831 411 2HG LYS 47 1HG LYS 47 -4.664 2.126 -11.702 412 1HD LYS 47 2HD LYS 47 -4.957 3.873 -13.425 413 2HD LYS 47 1HD LYS 47 -5.694 2.666 -14.480 414 1HE LYS 47 2HE LYS 47 -6.715 3.650 -11.823 415 2HE LYS 47 1HE LYS 47 -7.458 3.860 -13.407 416 1HZ LYS 47 1HZ LYS 47 -7.636 1.367 -13.482 417 2HZ LYS 47 2HZ LYS 47 -8.606 2.104 -12.317 418 3HZ LYS 47 3HZ LYS 47 -7.174 1.367 -11.852 419 H GLN 48 H GLN 48 -1.524 -0.439 -14.705 420 HA GLN 48 HA GLN 48 1.157 -0.425 -13.920 421 1HB GLN 48 2HB GLN 48 0.207 -1.679 -15.856 422 2HB GLN 48 1HB GLN 48 0.126 -0.161 -16.741 423 1HG GLN 48 2HG GLN 48 2.612 0.038 -16.403 424 2HG GLN 48 1HG GLN 48 2.559 -1.576 -15.741 425 1HE2 GLN 48 1HE2 GLN 48 2.241 -3.309 -17.012 426 2HE2 GLN 48 2HE2 GLN 48 2.216 -3.258 -18.743 427 H GLY 49 H GLY 49 2.604 1.113 -13.758 428 1HA GLY 49 2HA GLY 49 3.733 3.107 -14.142 429 2HA GLY 49 1HA GLY 49 2.509 3.530 -15.328 430 H GLU 50 H GLU 50 1.373 2.607 -12.222 431 HA GLU 50 HA GLU 50 0.517 5.330 -11.783 432 1HB GLU 50 2HB GLU 50 -0.204 2.751 -10.512 433 2HB GLU 50 1HB GLU 50 -0.602 4.260 -9.711 434 1HG GLU 50 2HG GLU 50 -1.440 3.453 -12.485 435 2HG GLU 50 1HG GLU 50 -2.453 3.392 -11.043 436 H GLN 51 H GLN 51 2.852 3.291 -10.613 437 HA GLN 51 HA GLN 51 4.546 3.476 -9.141 438 1HB GLN 51 2HB GLN 51 4.920 5.721 -10.057 439 2HB GLN 51 1HB GLN 51 3.741 6.388 -8.937 440 1HG GLN 51 2HG GLN 51 5.158 5.949 -7.077 441 2HG GLN 51 1HG GLN 51 6.274 5.016 -8.076 442 1HE2 GLN 51 1HE2 GLN 51 7.557 6.067 -9.520 443 2HE2 GLN 51 2HE2 GLN 51 7.937 7.738 -9.429 444 H ILE 52 H ILE 52 4.847 2.895 -7.163 445 HA ILE 52 HA ILE 52 2.657 3.185 -5.231 446 HB ILE 52 HB ILE 52 4.288 0.672 -5.724 447 1HG1 ILE 52 2HG1 ILE 52 1.605 1.489 -6.853 448 2HG1 ILE 52 1HG1 ILE 52 3.060 0.948 -7.674 449 1HG2 ILE 52 1HG2 ILE 52 1.757 1.115 -4.138 450 2HG2 ILE 52 2HG2 ILE 52 3.365 0.848 -3.471 451 3HG2 ILE 52 3HG2 ILE 52 2.563 -0.435 -4.379 452 1HD1 ILE 52 1HD1 ILE 52 1.339 -0.747 -7.682 453 2HD1 ILE 52 2HD1 ILE 52 1.352 -0.764 -5.918 454 3HD1 ILE 52 3HD1 ILE 52 2.782 -1.268 -6.816 455 H GLU 53 H GLU 53 3.582 2.889 -2.971 456 HA GLU 53 HA GLU 53 6.495 3.386 -2.941 457 1HB GLU 53 2HB GLU 53 4.760 3.862 -0.536 458 2HB GLU 53 1HB GLU 53 6.287 4.529 -1.056 459 1HG GLU 53 2HG GLU 53 5.364 6.009 -2.583 460 2HG GLU 53 1HG GLU 53 3.793 5.215 -2.567 461 H ILE 54 H ILE 54 7.736 1.921 -1.834 462 HA ILE 54 HA ILE 54 6.272 -0.370 -0.781 463 HB ILE 54 HB ILE 54 8.135 -0.932 -2.425 464 1HG1 ILE 54 2HG1 ILE 54 9.304 -2.627 -0.982 465 2HG1 ILE 54 1HG1 ILE 54 8.533 -1.872 0.402 466 1HG2 ILE 54 1HG2 ILE 54 10.437 -0.714 -1.813 467 2HG2 ILE 54 2HG2 ILE 54 9.972 0.182 -0.361 468 3HG2 ILE 54 3HG2 ILE 54 9.646 0.856 -1.958 469 1HD1 ILE 54 1HD1 ILE 54 7.110 -3.146 -1.901 470 2HD1 ILE 54 2HD1 ILE 54 6.363 -2.431 -0.467 471 3HD1 ILE 54 3HD1 ILE 54 7.384 -3.864 -0.314 472 H ILE 55 H ILE 55 6.025 -0.591 1.276 473 HA ILE 55 HA ILE 55 7.716 1.034 3.015 474 HB ILE 55 HB ILE 55 5.820 0.828 4.729 475 1HG1 ILE 55 2HG1 ILE 55 4.579 -0.871 3.193 476 2HG1 ILE 55 1HG1 ILE 55 3.610 0.310 4.051 477 1HG2 ILE 55 1HG2 ILE 55 5.466 2.546 2.289 478 2HG2 ILE 55 2HG2 ILE 55 6.440 2.911 3.713 479 3HG2 ILE 55 3HG2 ILE 55 4.683 2.810 3.850 480 1HD1 ILE 55 1HD1 ILE 55 2.853 0.050 1.771 481 2HD1 ILE 55 2HD1 ILE 55 4.473 0.420 1.169 482 3HD1 ILE 55 3HD1 ILE 55 3.538 1.663 1.991 483 H ARG 56 H ARG 56 6.336 -2.174 2.652 484 HA ARG 56 HA ARG 56 8.336 -2.986 4.614 485 1HB ARG 56 2HB ARG 56 6.009 -2.962 5.664 486 2HB ARG 56 1HB ARG 56 5.606 -4.236 4.530 487 1HG ARG 56 2HG ARG 56 6.204 -5.540 6.255 488 2HG ARG 56 1HG ARG 56 7.794 -5.333 5.530 489 1HD ARG 56 2HD ARG 56 6.655 -3.816 7.870 490 2HD ARG 56 1HD ARG 56 7.895 -5.056 7.927 491 HE ARG 56 HE ARG 56 8.894 -3.099 6.287 492 1HH1 ARG 56 1HH1 ARG 56 7.905 -3.438 9.660 493 2HH1 ARG 56 2HH1 ARG 56 8.782 -2.094 10.215 494 1HH2 ARG 56 1HH2 ARG 56 10.123 -1.275 7.007 495 2HH2 ARG 56 2HH2 ARG 56 10.112 -0.831 8.660 496 H ILE 57 H ILE 57 9.539 -4.529 3.947 497 HA ILE 57 HA ILE 57 8.626 -6.417 1.895 498 HB ILE 57 HB ILE 57 11.106 -6.538 1.190 499 1HG1 ILE 57 2HG1 ILE 57 11.952 -5.049 3.053 500 2HG1 ILE 57 1HG1 ILE 57 12.534 -4.635 1.444 501 1HG2 ILE 57 1HG2 ILE 57 10.886 -4.754 -0.469 502 2HG2 ILE 57 2HG2 ILE 57 9.485 -4.146 0.417 503 3HG2 ILE 57 3HG2 ILE 57 9.439 -5.752 -0.310 504 1HD1 ILE 57 1HD1 ILE 57 10.894 -2.834 1.317 505 2HD1 ILE 57 2HD1 ILE 57 11.897 -2.644 2.792 506 3HD1 ILE 57 3HD1 ILE 57 10.271 -3.322 2.879 507 H THR 58 H THR 58 9.373 -6.106 4.999 508 HA THR 58 HA THR 58 10.926 -8.565 5.139 509 HB THR 58 HB THR 58 11.649 -7.615 7.400 510 HG1 THR 58 1HG THR 58 10.806 -5.771 7.930 511 1HG2 THR 58 1HG2 THR 58 12.450 -6.143 4.879 512 2HG2 THR 58 2HG2 THR 58 13.125 -7.675 5.426 513 3HG2 THR 58 3HG2 THR 58 13.390 -6.204 6.368 514 H ASP 59 H ASP 59 10.457 -9.993 6.864 515 HA ASP 59 HA ASP 59 9.218 -11.246 8.269 516 1HB ASP 59 2HB ASP 59 9.314 -9.116 9.647 517 2HB ASP 59 1HB ASP 59 7.736 -8.697 9.002 518 H ASN 60 H ASN 60 8.318 -10.553 5.557 519 HA ASN 60 HA ASN 60 5.470 -10.670 5.567 520 1HB ASN 60 2HB ASN 60 5.683 -10.745 3.088 521 2HB ASN 60 1HB ASN 60 6.499 -9.389 3.830 522 1HD2 ASN 60 1HD2 ASN 60 6.899 -10.420 1.260 523 2HD2 ASN 60 2HD2 ASN 60 8.530 -10.961 1.101 524 HA PRO 61 HA PRO 61 5.362 -15.067 6.189 525 1HB PRO 61 2HB PRO 61 2.455 -14.661 5.904 526 2HB PRO 61 1HB PRO 61 3.374 -15.288 7.274 527 1HG PRO 61 2HG PRO 61 2.257 -12.867 7.359 528 2HG PRO 61 1HG PRO 61 3.837 -13.180 8.101 529 1HD PRO 61 2HD PRO 61 3.203 -11.900 5.472 530 2HD PRO 61 1HD PRO 61 4.369 -11.396 6.720 531 H GLU 62 H GLU 62 2.860 -13.818 3.952 532 HA GLU 62 HA GLU 62 2.855 -16.172 2.407 533 1HB GLU 62 2HB GLU 62 0.860 -14.846 2.458 534 2HB GLU 62 1HB GLU 62 1.716 -13.415 1.919 535 1HG GLU 62 2HG GLU 62 1.801 -14.141 -0.278 536 2HG GLU 62 1HG GLU 62 1.499 -15.820 0.123 537 H GLY 63 H GLY 63 4.655 -13.239 2.238 538 1HA GLY 63 2HA GLY 63 6.864 -13.357 1.263 539 2HA GLY 63 1HA GLY 63 6.220 -14.468 0.060 540 H LYS 64 H LYS 64 4.136 -11.958 0.780 541 HA LYS 64 HA LYS 64 4.876 -10.660 -1.707 542 1HB LYS 64 2HB LYS 64 2.638 -9.908 -1.867 543 2HB LYS 64 1HB LYS 64 2.566 -11.624 -1.493 544 1HG LYS 64 2HG LYS 64 2.125 -10.872 0.891 545 2HG LYS 64 1HG LYS 64 1.931 -9.253 0.233 546 1HD LYS 64 2HD LYS 64 0.205 -11.679 -0.277 547 2HD LYS 64 1HD LYS 64 -0.283 -10.065 0.240 548 1HE LYS 64 2HE LYS 64 0.503 -9.248 -2.047 549 2HE LYS 64 1HE LYS 64 0.684 -10.959 -2.444 550 1HZ LYS 64 1HZ LYS 64 -1.659 -11.285 -2.229 551 2HZ LYS 64 2HZ LYS 64 -1.366 -9.965 -3.254 552 3HZ LYS 64 3HZ LYS 64 -1.909 -9.683 -1.691 553 H TRP 65 H TRP 65 4.435 -8.279 -1.652 554 HA TRP 65 HA TRP 65 5.929 -7.191 0.632 555 1HB TRP 65 2HB TRP 65 5.479 -6.205 -2.165 556 2HB TRP 65 1HB TRP 65 6.195 -5.193 -0.935 557 HD1 TRP 65 HD TRP 65 7.894 -7.985 0.118 558 HE1 TRP 65 1HE TRP 65 10.064 -8.472 -1.178 559 HE3 TRP 65 3HE TRP 65 6.975 -5.212 -4.086 560 HZ2 TRP 65 2HZ TRP 65 11.219 -7.778 -3.662 561 HZ3 TRP 65 3HZ TRP 65 8.665 -5.179 -5.867 562 HH2 TRP 65 HH TRP 65 10.741 -6.435 -5.659 563 H LEU 66 H LEU 66 5.358 -4.785 0.990 564 HA LEU 66 HA LEU 66 2.436 -4.470 0.942 565 1HB LEU 66 2HB LEU 66 3.329 -4.763 3.218 566 2HB LEU 66 1HB LEU 66 4.423 -3.420 2.965 567 HG LEU 66 HG LEU 66 2.479 -1.905 2.757 568 1HD1 LEU 66 1HD1 LEU 66 0.831 -3.505 1.986 569 2HD1 LEU 66 2HD1 LEU 66 0.289 -2.678 3.451 570 3HD1 LEU 66 3HD1 LEU 66 0.892 -4.332 3.547 571 1HD2 LEU 66 1HD2 LEU 66 1.883 -1.920 5.118 572 2HD2 LEU 66 2HD2 LEU 66 3.612 -2.172 4.882 573 3HD2 LEU 66 3HD2 LEU 66 2.569 -3.537 5.282 574 H GLY 67 H GLY 67 1.911 -2.984 -0.537 575 1HA GLY 67 2HA GLY 67 3.762 -0.746 -0.887 576 2HA GLY 67 1HA GLY 67 2.816 -1.437 -2.209 577 H ARG 68 H ARG 68 2.753 1.274 -1.418 578 HA ARG 68 HA ARG 68 -0.079 1.476 -0.633 579 1HB ARG 68 2HB ARG 68 1.142 1.952 1.345 580 2HB ARG 68 1HB ARG 68 2.225 3.077 0.529 581 1HG ARG 68 2HG ARG 68 0.117 4.485 0.164 582 2HG ARG 68 1HG ARG 68 -0.684 3.468 1.357 583 1HD ARG 68 2HD ARG 68 1.056 3.988 2.955 584 2HD ARG 68 1HD ARG 68 1.875 5.005 1.769 585 HE ARG 68 HE ARG 68 -0.584 5.587 3.218 586 1HH1 ARG 68 1HH1 ARG 68 1.719 6.617 0.675 587 2HH1 ARG 68 2HH1 ARG 68 1.248 8.230 0.732 588 1HH2 ARG 68 1HH2 ARG 68 -1.190 7.834 3.280 589 2HH2 ARG 68 2HH2 ARG 68 -0.417 8.953 2.233 590 H THR 69 H THR 69 -1.142 3.221 -1.335 591 HA THR 69 HA THR 69 0.011 4.691 -3.635 592 HB THR 69 HB THR 69 -2.918 4.359 -2.840 593 HG1 THR 69 1HG THR 69 -1.287 2.942 -4.689 594 1HG2 THR 69 1HG2 THR 69 -3.381 5.103 -5.136 595 2HG2 THR 69 2HG2 THR 69 -1.651 5.287 -5.427 596 3HG2 THR 69 3HG2 THR 69 -2.463 6.324 -4.254 597 H ALA 70 H ALA 70 -0.408 7.068 -3.629 598 HA ALA 70 HA ALA 70 0.230 8.363 -1.300 599 1HB ALA 70 1HB ALA 70 -1.351 9.549 -3.578 600 2HB ALA 70 2HB ALA 70 0.403 9.351 -3.541 601 3HB ALA 70 3HB ALA 70 -0.387 10.437 -2.396 602 H ARG 71 H ARG 71 -2.986 7.664 -2.454 603 HA ARG 71 HA ARG 71 -4.682 9.002 -0.734 604 1HB ARG 71 2HB ARG 71 -5.417 7.536 -2.544 605 2HB ARG 71 1HB ARG 71 -4.834 6.134 -1.661 606 1HG ARG 71 2HG ARG 71 -6.489 6.821 0.160 607 2HG ARG 71 1HG ARG 71 -7.192 7.879 -1.067 608 1HD ARG 71 2HD ARG 71 -7.347 5.835 -2.552 609 2HD ARG 71 1HD ARG 71 -6.859 4.904 -1.164 610 HE ARG 71 HE ARG 71 -9.029 6.522 -0.439 611 1HH1 ARG 71 1HH1 ARG 71 -8.448 3.599 -2.364 612 2HH1 ARG 71 2HH1 ARG 71 -10.015 2.964 -2.041 613 1HH2 ARG 71 1HH2 ARG 71 -11.028 5.655 -0.027 614 2HH2 ARG 71 2HH2 ARG 71 -11.498 4.111 -0.597 615 H GLY 72 H GLY 72 -2.858 6.082 -0.217 616 1HA GLY 72 2HA GLY 72 -2.130 5.223 1.776 617 2HA GLY 72 1HA GLY 72 -3.372 6.037 2.677 618 H SER 73 H SER 73 -2.525 3.410 0.692 619 HA SER 73 HA SER 73 -4.594 1.803 1.595 620 1HB SER 73 2HB SER 73 -4.076 2.312 -1.315 621 2HB SER 73 1HB SER 73 -5.171 1.103 -0.680 622 HG SER 73 HG SER 73 -5.817 3.485 0.366 623 H TYR 74 H TYR 74 -3.593 0.146 1.858 624 HA TYR 74 HA TYR 74 -0.807 -0.134 1.016 625 1HB TYR 74 2HB TYR 74 -2.346 -0.545 3.350 626 2HB TYR 74 1HB TYR 74 -0.901 -1.590 3.238 627 HD1 TYR 74 1HD TYR 74 -2.357 1.677 4.022 628 HD2 TYR 74 2HD TYR 74 1.302 -0.399 3.499 629 HE1 TYR 74 1HE TYR 74 -1.169 3.464 5.223 630 HE2 TYR 74 2HE TYR 74 2.494 1.376 4.683 631 HH TYR 74 HH TYR 74 2.202 3.766 5.197 632 H GLY 75 H GLY 75 -1.347 -1.420 -0.696 633 1HA GLY 75 2HA GLY 75 -2.893 -3.746 -0.031 634 2HA GLY 75 1HA GLY 75 -2.572 -3.131 -1.657 635 H TYR 76 H TYR 76 -1.570 -4.831 0.880 636 HA TYR 76 HA TYR 76 1.002 -5.616 0.399 637 1HB TYR 76 2HB TYR 76 -0.669 -7.992 0.806 638 2HB TYR 76 1HB TYR 76 0.499 -7.263 1.905 639 HD1 TYR 76 1HD TYR 76 -2.999 -7.144 0.787 640 HD2 TYR 76 2HD TYR 76 -0.254 -5.907 3.804 641 HE1 TYR 76 1HE TYR 76 -4.860 -6.349 2.141 642 HE2 TYR 76 2HE TYR 76 -2.132 -5.111 5.160 643 HH TYR 76 HH TYR 76 -5.394 -5.903 4.384 644 H ILE 77 H ILE 77 1.665 -5.609 -1.626 645 HA ILE 77 HA ILE 77 0.374 -6.717 -3.891 646 HB ILE 77 HB ILE 77 2.701 -6.254 -4.759 647 1HG1 ILE 77 2HG1 ILE 77 2.706 -4.575 -2.253 648 2HG1 ILE 77 1HG1 ILE 77 3.820 -5.859 -2.694 649 1HG2 ILE 77 1HG2 ILE 77 0.680 -5.043 -5.394 650 2HG2 ILE 77 2HG2 ILE 77 2.008 -3.893 -5.160 651 3HG2 ILE 77 3HG2 ILE 77 0.770 -4.083 -3.908 652 1HD1 ILE 77 1HD1 ILE 77 4.815 -3.682 -2.967 653 2HD1 ILE 77 2HD1 ILE 77 3.514 -3.230 -4.090 654 3HD1 ILE 77 3HD1 ILE 77 4.647 -4.517 -4.516 655 H LYS 78 H LYS 78 0.874 -8.516 -4.880 656 HA LYS 78 HA LYS 78 3.010 -10.057 -3.902 657 1HB LYS 78 2HB LYS 78 2.622 -11.500 -5.876 658 2HB LYS 78 1HB LYS 78 1.134 -11.215 -4.983 659 1HG LYS 78 2HG LYS 78 0.438 -9.595 -6.593 660 2HG LYS 78 1HG LYS 78 2.070 -9.753 -7.309 661 1HD LYS 78 2HD LYS 78 1.601 -11.882 -8.184 662 2HD LYS 78 1HD LYS 78 0.257 -12.139 -7.074 663 1HE LYS 78 2HE LYS 78 0.244 -10.142 -9.324 664 2HE LYS 78 1HE LYS 78 -0.437 -11.768 -9.427 665 1HZ LYS 78 1HZ LYS 78 -1.784 -11.173 -7.460 666 2HZ LYS 78 2HZ LYS 78 -2.223 -10.376 -8.864 667 3HZ LYS 78 3HZ LYS 78 -1.361 -9.549 -7.653 668 H THR 79 H THR 79 4.644 -9.489 -4.244 669 HA THR 79 HA THR 79 6.246 -7.599 -5.163 670 HB THR 79 HB THR 79 8.145 -9.097 -5.178 671 HG1 THR 79 1HG THR 79 7.942 -11.150 -5.734 672 1HG2 THR 79 1HG2 THR 79 7.750 -10.351 -3.111 673 2HG2 THR 79 2HG2 THR 79 6.011 -10.123 -3.301 674 3HG2 THR 79 3HG2 THR 79 7.056 -8.735 -3.010 675 H THR 80 H THR 80 5.265 -10.268 -7.207 676 HA THR 80 HA THR 80 6.778 -9.607 -9.489 677 HB THR 80 HB THR 80 6.028 -11.856 -9.200 678 HG1 THR 80 1HG THR 80 6.139 -11.348 -11.340 679 1HG2 THR 80 1HG2 THR 80 3.205 -10.799 -9.308 680 2HG2 THR 80 2HG2 THR 80 4.026 -11.442 -7.895 681 3HG2 THR 80 3HG2 THR 80 3.650 -12.505 -9.252 682 H ALA 81 H ALA 81 3.920 -8.068 -8.254 683 HA ALA 81 HA ALA 81 2.949 -7.289 -10.850 684 1HB ALA 81 1HB ALA 81 2.084 -6.465 -8.083 685 2HB ALA 81 2HB ALA 81 1.385 -7.776 -9.032 686 3HB ALA 81 3HB ALA 81 1.234 -6.105 -9.589 687 H VAL 82 H VAL 82 5.363 -6.237 -8.713 688 HA VAL 82 HA VAL 82 5.392 -3.642 -10.046 689 HB VAL 82 HB VAL 82 6.072 -2.514 -7.957 690 1HG1 VAL 82 1HG1 VAL 82 3.878 -2.363 -6.918 691 2HG1 VAL 82 2HG1 VAL 82 3.342 -3.779 -7.816 692 3HG1 VAL 82 3HG1 VAL 82 3.784 -2.297 -8.668 693 1HG2 VAL 82 1HG2 VAL 82 5.237 -5.082 -6.622 694 2HG2 VAL 82 2HG2 VAL 82 5.617 -3.575 -5.795 695 3HG2 VAL 82 3HG2 VAL 82 6.873 -4.425 -6.698 696 H GLU 83 H GLU 83 7.385 -2.543 -9.625 697 HA GLU 83 HA GLU 83 9.655 -4.236 -8.837 698 1HB GLU 83 2HB GLU 83 9.438 -2.485 -11.271 699 2HB GLU 83 1HB GLU 83 10.974 -3.097 -10.665 700 1HG GLU 83 2HG GLU 83 10.284 -5.377 -11.113 701 2HG GLU 83 1HG GLU 83 8.677 -4.822 -11.528 702 H ILE 84 H ILE 84 10.706 -3.162 -7.248 703 HA ILE 84 HA ILE 84 9.834 -0.496 -6.718 704 HB ILE 84 HB ILE 84 11.213 -0.474 -4.742 705 1HG1 ILE 84 2HG1 ILE 84 12.290 -3.185 -5.499 706 2HG1 ILE 84 1HG1 ILE 84 13.146 -1.691 -5.870 707 1HG2 ILE 84 1HG2 ILE 84 9.867 -3.148 -5.091 708 2HG2 ILE 84 2HG2 ILE 84 9.098 -1.645 -4.580 709 3HG2 ILE 84 3HG2 ILE 84 10.304 -2.411 -3.549 710 1HD1 ILE 84 1HD1 ILE 84 12.370 -2.652 -3.135 711 2HD1 ILE 84 2HD1 ILE 84 13.193 -1.141 -3.522 712 3HD1 ILE 84 3HD1 ILE 84 13.994 -2.682 -3.849 713 H ASP 85 H ASP 85 11.504 1.217 -6.177 714 HA ASP 85 HA ASP 85 13.328 1.503 -8.369 715 1HB ASP 85 2HB ASP 85 12.172 3.446 -7.403 716 2HB ASP 85 1HB ASP 85 13.002 3.195 -5.869 717 H TYR 86 H TYR 86 14.977 0.191 -8.328 718 HA TYR 86 HA TYR 86 16.218 -0.535 -5.826 719 1HB TYR 86 2HB TYR 86 16.877 -1.297 -8.634 720 2HB TYR 86 1HB TYR 86 17.743 -1.921 -7.242 721 HD1 TYR 86 1HD TYR 86 14.637 -2.109 -9.160 722 HD2 TYR 86 2HD TYR 86 16.682 -3.554 -5.733 723 HE1 TYR 86 1HE TYR 86 12.999 -3.911 -8.965 724 HE2 TYR 86 2HE TYR 86 15.039 -5.377 -5.525 725 HH TYR 86 HH TYR 86 12.806 -6.095 -8.015 726 H ASP 87 H ASP 87 17.031 1.203 -5.118 727 HA ASP 87 HA ASP 87 18.896 2.794 -6.646 728 1HB ASP 87 2HB ASP 87 17.467 3.953 -5.019 729 2HB ASP 87 1HB ASP 87 18.205 3.032 -3.713 730 H SER 88 H SER 88 20.433 1.475 -7.153 731 HA SER 88 HA SER 88 22.708 1.445 -5.584 732 1HB SER 88 2HB SER 88 21.446 -0.522 -4.524 733 2HB SER 88 1HB SER 88 21.497 -1.305 -6.100 734 HG SER 88 HG SER 88 23.656 -0.551 -4.449 735 H LEU 89 H LEU 89 24.379 1.168 -7.077 736 HA LEU 89 HA LEU 89 23.415 0.673 -9.809 737 1HB LEU 89 2HB LEU 89 25.635 2.479 -8.882 738 2HB LEU 89 1HB LEU 89 25.205 2.187 -10.552 739 HG LEU 89 HG LEU 89 23.437 3.515 -8.499 740 1HD1 LEU 89 1HD1 LEU 89 25.328 4.894 -9.125 741 2HD1 LEU 89 2HD1 LEU 89 23.827 5.534 -9.798 742 3HD1 LEU 89 3HD1 LEU 89 24.953 4.655 -10.830 743 1HD2 LEU 89 1HD2 LEU 89 22.157 2.289 -10.172 744 2HD2 LEU 89 2HD2 LEU 89 23.049 3.098 -11.459 745 3HD2 LEU 89 3HD2 LEU 89 21.991 4.030 -10.398 746 H LYS 90 H LYS 90 24.916 -0.856 -7.498 747 HA LYS 90 HA LYS 90 26.625 -2.322 -9.334 748 1HB LYS 90 2HB LYS 90 28.101 -0.652 -8.272 749 2HB LYS 90 1HB LYS 90 27.585 -1.207 -6.687 750 1HG LYS 90 2HG LYS 90 28.565 -3.426 -7.191 751 2HG LYS 90 1HG LYS 90 29.155 -2.784 -8.723 752 1HD LYS 90 2HD LYS 90 29.872 -1.726 -5.985 753 2HD LYS 90 1HD LYS 90 30.884 -2.785 -6.964 754 1HE LYS 90 2HE LYS 90 31.039 -1.069 -8.687 755 2HE LYS 90 1HE LYS 90 29.962 -0.023 -7.758 756 1HZ LYS 90 1HZ LYS 90 31.600 0.070 -6.007 757 2HZ LYS 90 2HZ LYS 90 32.342 0.547 -7.451 758 3HZ LYS 90 3HZ LYS 90 32.608 -0.991 -6.831 759 H LEU 91 H LEU 91 26.502 -4.458 -8.930 760 HA LEU 91 HA LEU 91 24.681 -5.531 -7.052 761 1HB LEU 91 2HB LEU 91 25.381 -6.649 -9.161 762 2HB LEU 91 1HB LEU 91 26.987 -6.861 -8.498 763 HG LEU 91 HG LEU 91 26.025 -8.343 -6.749 764 1HD1 LEU 91 1HD1 LEU 91 23.494 -8.067 -8.351 765 2HD1 LEU 91 2HD1 LEU 91 23.761 -7.463 -6.716 766 3HD1 LEU 91 3HD1 LEU 91 23.758 -9.200 -7.025 767 1HD2 LEU 91 1HD2 LEU 91 25.635 -10.246 -8.234 768 2HD2 LEU 91 2HD2 LEU 91 27.004 -9.274 -8.774 769 3HD2 LEU 91 3HD2 LEU 91 25.450 -9.145 -9.598 770 H LYS 92 H LYS 92 25.008 -6.198 -4.959 771 HA LYS 92 HA LYS 92 27.311 -5.193 -3.653 772 1HB LYS 92 2HB LYS 92 25.013 -6.817 -2.588 773 2HB LYS 92 1HB LYS 92 26.321 -6.201 -1.590 774 1HG LYS 92 2HG LYS 92 25.723 -3.911 -2.252 775 2HG LYS 92 1HG LYS 92 24.383 -4.554 -3.198 776 1HD LYS 92 2HD LYS 92 23.589 -3.761 -1.046 777 2HD LYS 92 1HD LYS 92 23.415 -5.509 -1.153 778 1HE LYS 92 2HE LYS 92 24.258 -4.799 1.052 779 2HE LYS 92 1HE LYS 92 25.409 -5.825 0.202 780 1HZ LYS 92 1HZ LYS 92 26.788 -3.966 -0.264 781 2HZ LYS 92 2HZ LYS 92 26.327 -3.757 1.345 782 3HZ LYS 92 3HZ LYS 92 25.563 -2.869 0.141 783 H LYS 93 H LYS 93 29.103 -6.118 -4.131 784 HA LYS 93 HA LYS 93 29.421 -8.943 -3.358 785 1HB LYS 93 2HB LYS 93 29.786 -8.352 -5.832 786 2HB LYS 93 1HB LYS 93 31.177 -7.418 -5.299 787 1HG LYS 93 2HG LYS 93 32.121 -9.486 -4.310 788 2HG LYS 93 1HG LYS 93 30.768 -10.383 -4.996 789 1HD LYS 93 2HD LYS 93 32.659 -10.613 -6.448 790 2HD LYS 93 1HD LYS 93 31.461 -9.591 -7.243 791 1HE LYS 93 2HE LYS 93 32.708 -7.606 -6.632 792 2HE LYS 93 1HE LYS 93 33.863 -8.580 -5.726 793 1HZ LYS 93 1HZ LYS 93 34.398 -9.715 -7.841 794 2HZ LYS 93 2HZ LYS 93 34.818 -8.099 -7.816 795 3HZ LYS 93 3HZ LYS 93 33.435 -8.583 -8.667 796 H ASP 94 H ASP 94 29.536 -6.135 -2.181 797 HA ASP 94 HA ASP 94 32.237 -5.828 -1.231 798 1HB ASP 94 2HB ASP 94 31.396 -3.916 -0.023 799 2HB ASP 94 1HB ASP 94 30.704 -3.892 -1.635 800 H LEU 95 H LEU 95 29.668 -7.713 -0.492 801 HA LEU 95 HA LEU 95 30.307 -7.972 2.327 802 1HB LEU 95 2HB LEU 95 28.238 -9.461 2.319 803 2HB LEU 95 1HB LEU 95 27.988 -7.754 2.056 804 HG LEU 95 HG LEU 95 27.851 -8.315 -0.442 805 1HD1 LEU 95 1HD1 LEU 95 28.810 -10.529 -0.416 806 2HD1 LEU 95 2HD1 LEU 95 27.162 -10.569 -1.043 807 3HD1 LEU 95 3HD1 LEU 95 27.490 -11.111 0.601 808 1HD2 LEU 95 1HD2 LEU 95 25.917 -7.699 0.871 809 2HD2 LEU 95 2HD2 LEU 95 25.733 -9.364 1.422 810 3HD2 LEU 95 3HD2 LEU 95 25.497 -8.967 -0.281 811 H GLU 96 H GLU 96 30.761 -10.077 3.216 812 HA GLU 96 HA GLU 96 31.421 -12.082 1.265 813 1HB GLU 96 2HB GLU 96 33.579 -12.601 2.416 814 2HB GLU 96 1HB GLU 96 33.566 -11.067 1.574 815 1HG GLU 96 2HG GLU 96 33.348 -9.887 3.678 816 2HG GLU 96 1HG GLU 96 33.237 -11.419 4.547 Start of MODEL 17 1 1H GLU 1 1HT GLU 1 -7.951 28.298 6.520 2 2H GLU 1 2HT GLU 1 -8.009 26.610 6.567 3 3H GLU 1 3HT GLU 1 -6.616 27.389 5.993 4 HA GLU 1 HA GLU 1 -6.152 28.317 8.084 5 1HB GLU 1 2HB GLU 1 -8.599 26.797 9.056 6 2HB GLU 1 1HB GLU 1 -7.440 27.595 10.098 7 1HG GLU 1 2HG GLU 1 -9.314 29.028 9.975 8 2HG GLU 1 1HG GLU 1 -8.083 29.762 8.956 9 H LYS 2 H LYS 2 -7.368 25.045 7.387 10 HA LYS 2 HA LYS 2 -4.816 23.956 8.305 11 1HB LYS 2 2HB LYS 2 -6.617 23.633 10.008 12 2HB LYS 2 1HB LYS 2 -7.586 22.825 8.791 13 1HG LYS 2 2HG LYS 2 -5.956 21.022 8.671 14 2HG LYS 2 1HG LYS 2 -4.932 21.859 9.846 15 1HD LYS 2 2HD LYS 2 -6.784 21.761 11.483 16 2HD LYS 2 1HD LYS 2 -7.736 20.851 10.313 17 1HE LYS 2 2HE LYS 2 -6.715 19.382 11.970 18 2HE LYS 2 1HE LYS 2 -6.096 19.057 10.353 19 1HZ LYS 2 1HZ LYS 2 -4.677 20.774 12.312 20 2HZ LYS 2 2HZ LYS 2 -4.049 20.123 10.890 21 3HZ LYS 2 3HZ LYS 2 -4.424 19.124 12.193 22 H LYS 3 H LYS 3 -4.100 22.277 6.942 23 HA LYS 3 HA LYS 3 -5.197 22.246 4.319 24 1HB LYS 3 2HB LYS 3 -3.134 20.403 5.553 25 2HB LYS 3 1HB LYS 3 -3.546 20.449 3.846 26 1HG LYS 3 2HG LYS 3 -2.807 22.817 3.781 27 2HG LYS 3 1HG LYS 3 -2.280 22.655 5.455 28 1HD LYS 3 2HD LYS 3 -0.395 22.363 3.947 29 2HD LYS 3 1HD LYS 3 -0.748 20.848 4.781 30 1HE LYS 3 2HE LYS 3 -1.918 20.014 2.823 31 2HE LYS 3 1HE LYS 3 -1.679 21.550 1.996 32 1HZ LYS 3 1HZ LYS 3 0.695 21.164 2.036 33 2HZ LYS 3 2HZ LYS 3 -0.108 19.894 1.261 34 3HZ LYS 3 3HZ LYS 3 0.490 19.661 2.806 35 H GLU 4 H GLU 4 -4.779 19.496 6.556 36 HA GLU 4 HA GLU 4 -7.099 18.286 5.327 37 1HB GLU 4 2HB GLU 4 -5.405 17.276 7.634 38 2HB GLU 4 1HB GLU 4 -6.640 16.360 6.784 39 1HG GLU 4 2HG GLU 4 -4.061 17.372 5.600 40 2HG GLU 4 1HG GLU 4 -4.392 15.716 6.097 41 H GLN 5 H GLN 5 -8.330 20.112 5.960 42 HA GLN 5 HA GLN 5 -8.945 20.682 8.682 43 1HB GLN 5 2HB GLN 5 -9.142 22.326 6.807 44 2HB GLN 5 1HB GLN 5 -10.451 21.377 6.137 45 1HG GLN 5 2HG GLN 5 -10.635 22.556 8.884 46 2HG GLN 5 1HG GLN 5 -10.985 23.515 7.449 47 1HE2 GLN 5 1HE2 GLN 5 -12.681 22.678 9.659 48 2HE2 GLN 5 2HE2 GLN 5 -14.014 21.852 8.950 49 H LYS 6 H LYS 6 -10.434 18.869 6.109 50 HA LYS 6 HA LYS 6 -11.798 17.246 8.123 51 1HB LYS 6 2HB LYS 6 -13.376 18.643 6.590 52 2HB LYS 6 1HB LYS 6 -12.767 17.673 5.262 53 1HG LYS 6 2HG LYS 6 -14.215 16.544 7.666 54 2HG LYS 6 1HG LYS 6 -14.992 16.956 6.147 55 1HD LYS 6 2HD LYS 6 -13.684 15.268 4.987 56 2HD LYS 6 1HD LYS 6 -12.768 14.932 6.456 57 1HE LYS 6 2HE LYS 6 -14.445 13.221 6.123 58 2HE LYS 6 1HE LYS 6 -14.831 14.173 7.551 59 1HZ LYS 6 1HZ LYS 6 -16.474 15.412 6.174 60 2HZ LYS 6 2HZ LYS 6 -16.788 13.768 6.291 61 3HZ LYS 6 3HZ LYS 6 -16.095 14.376 4.875 62 H GLU 7 H GLU 7 -10.260 15.743 8.251 63 HA GLU 7 HA GLU 7 -8.696 15.104 5.963 64 1HB GLU 7 2HB GLU 7 -7.480 13.538 7.378 65 2HB GLU 7 1HB GLU 7 -7.616 15.119 8.117 66 1HG GLU 7 2HG GLU 7 -9.329 14.298 9.608 67 2HG GLU 7 1HG GLU 7 -9.288 12.723 8.813 68 H LYS 8 H LYS 8 -8.289 12.896 5.292 69 HA LYS 8 HA LYS 8 -10.779 11.889 4.276 70 1HB LYS 8 2HB LYS 8 -7.902 11.097 3.754 71 2HB LYS 8 1HB LYS 8 -9.264 10.305 3.003 72 1HG LYS 8 2HG LYS 8 -8.243 11.869 1.459 73 2HG LYS 8 1HG LYS 8 -9.857 12.425 1.881 74 1HD LYS 8 2HD LYS 8 -8.925 14.081 3.384 75 2HD LYS 8 1HD LYS 8 -7.301 13.449 3.118 76 1HE LYS 8 2HE LYS 8 -7.389 14.124 0.793 77 2HE LYS 8 1HE LYS 8 -9.059 14.656 0.986 78 1HZ LYS 8 1HZ LYS 8 -6.775 15.829 2.496 79 2HZ LYS 8 2HZ LYS 8 -8.382 16.408 2.390 80 3HZ LYS 8 3HZ LYS 8 -7.391 16.460 1.051 81 H GLU 9 H GLU 9 -11.812 10.160 4.928 82 HA GLU 9 HA GLU 9 -10.749 8.597 7.138 83 1HB GLU 9 2HB GLU 9 -13.260 9.403 6.611 84 2HB GLU 9 1HB GLU 9 -13.298 7.893 5.722 85 1HG GLU 9 2HG GLU 9 -12.716 8.202 8.664 86 2HG GLU 9 1HG GLU 9 -14.236 7.678 7.964 87 H LYS 10 H LYS 10 -9.076 7.547 6.210 88 HA LYS 10 HA LYS 10 -9.380 6.019 3.743 89 1HB LYS 10 2HB LYS 10 -6.995 6.512 5.545 90 2HB LYS 10 1HB LYS 10 -6.939 5.672 3.999 91 1HG LYS 10 2HG LYS 10 -7.485 7.633 2.796 92 2HG LYS 10 1HG LYS 10 -7.935 8.490 4.266 93 1HD LYS 10 2HD LYS 10 -5.783 9.257 3.444 94 2HD LYS 10 1HD LYS 10 -5.602 8.451 4.998 95 1HE LYS 10 2HE LYS 10 -4.796 6.453 3.888 96 2HE LYS 10 1HE LYS 10 -5.064 7.198 2.312 97 1HZ LYS 10 1HZ LYS 10 -3.389 8.840 2.800 98 2HZ LYS 10 2HZ LYS 10 -2.709 7.308 3.104 99 3HZ LYS 10 3HZ LYS 10 -3.209 8.266 4.370 100 H LYS 11 H LYS 11 -8.677 3.705 3.746 101 HA LYS 11 HA LYS 11 -9.396 2.552 6.329 102 1HB LYS 11 2HB LYS 11 -11.097 2.371 4.404 103 2HB LYS 11 1HB LYS 11 -9.978 1.217 3.694 104 1HG LYS 11 2HG LYS 11 -11.823 0.178 4.978 105 2HG LYS 11 1HG LYS 11 -10.215 -0.257 5.566 106 1HD LYS 11 2HD LYS 11 -11.820 0.272 7.398 107 2HD LYS 11 1HD LYS 11 -10.393 1.310 7.393 108 1HE LYS 11 2HE LYS 11 -11.740 3.038 6.195 109 2HE LYS 11 1HE LYS 11 -13.154 2.005 6.378 110 1HZ LYS 11 1HZ LYS 11 -11.554 3.023 8.663 111 2HZ LYS 11 2HZ LYS 11 -13.073 2.247 8.721 112 3HZ LYS 11 3HZ LYS 11 -12.912 3.792 8.032 113 H GLU 12 H GLU 12 -7.388 2.329 7.027 114 HA GLU 12 HA GLU 12 -5.635 0.440 5.618 115 1HB GLU 12 2HB GLU 12 -4.788 2.953 7.079 116 2HB GLU 12 1HB GLU 12 -3.753 1.860 6.169 117 1HG GLU 12 2HG GLU 12 -4.855 2.508 4.101 118 2HG GLU 12 1HG GLU 12 -5.950 3.556 4.998 119 H GLN 13 H GLN 13 -7.534 -0.021 7.690 120 HA GLN 13 HA GLN 13 -6.123 0.002 10.227 121 1HB GLN 13 2HB GLN 13 -8.877 -1.017 9.516 122 2HB GLN 13 1HB GLN 13 -8.216 -0.928 11.142 123 1HG GLN 13 2HG GLN 13 -8.114 1.488 10.991 124 2HG GLN 13 1HG GLN 13 -8.702 1.422 9.330 125 1HE2 GLN 13 1HE2 GLN 13 -9.560 1.089 12.685 126 2HE2 GLN 13 2HE2 GLN 13 -11.267 1.075 12.407 127 H GLU 14 H GLU 14 -7.559 -2.272 8.116 128 HA GLU 14 HA GLU 14 -6.746 -4.605 9.563 129 1HB GLU 14 2HB GLU 14 -7.657 -4.394 6.707 130 2HB GLU 14 1HB GLU 14 -7.399 -5.900 7.568 131 1HG GLU 14 2HG GLU 14 -9.127 -5.178 9.198 132 2HG GLU 14 1HG GLU 14 -9.436 -3.784 8.162 133 H ILE 15 H ILE 15 -5.039 -2.581 7.499 134 HA ILE 15 HA ILE 15 -3.381 -4.509 6.277 135 HB ILE 15 HB ILE 15 -2.055 -2.720 5.427 136 1HG1 ILE 15 2HG1 ILE 15 -2.676 -0.276 6.422 137 2HG1 ILE 15 1HG1 ILE 15 -2.902 -1.241 7.867 138 1HG2 ILE 15 1HG2 ILE 15 -4.275 -2.773 4.519 139 2HG2 ILE 15 2HG2 ILE 15 -3.683 -1.115 4.575 140 3HG2 ILE 15 3HG2 ILE 15 -4.848 -1.680 5.777 141 1HD1 ILE 15 1HD1 ILE 15 -0.612 -2.050 7.722 142 2HD1 ILE 15 2HD1 ILE 15 -0.668 -0.286 7.778 143 3HD1 ILE 15 3HD1 ILE 15 -0.368 -1.113 6.249 144 H LYS 16 H LYS 16 -3.401 -2.891 9.327 145 HA LYS 16 HA LYS 16 -0.770 -3.511 10.093 146 1HB LYS 16 2HB LYS 16 -3.190 -2.696 11.675 147 2HB LYS 16 1HB LYS 16 -1.730 -3.209 12.488 148 1HG LYS 16 2HG LYS 16 -1.643 -0.885 12.498 149 2HG LYS 16 1HG LYS 16 -0.554 -1.353 11.205 150 1HD LYS 16 2HD LYS 16 -2.227 -0.790 9.555 151 2HD LYS 16 1HD LYS 16 -3.402 -0.437 10.829 152 1HE LYS 16 2HE LYS 16 -1.851 1.306 11.696 153 2HE LYS 16 1HE LYS 16 -0.806 1.008 10.311 154 1HZ LYS 16 1HZ LYS 16 -3.630 1.880 10.114 155 2HZ LYS 16 2HZ LYS 16 -2.497 1.809 8.840 156 3HZ LYS 16 3HZ LYS 16 -2.320 2.929 10.069 157 H LYS 17 H LYS 17 -3.627 -5.316 9.954 158 HA LYS 17 HA LYS 17 -2.635 -7.292 11.868 159 1HB LYS 17 2HB LYS 17 -4.914 -6.439 12.182 160 2HB LYS 17 1HB LYS 17 -5.347 -6.994 10.574 161 1HG LYS 17 2HG LYS 17 -4.974 -9.306 11.277 162 2HG LYS 17 1HG LYS 17 -4.538 -8.739 12.890 163 1HD LYS 17 2HD LYS 17 -6.768 -7.762 13.147 164 2HD LYS 17 1HD LYS 17 -7.197 -8.330 11.532 165 1HE LYS 17 2HE LYS 17 -6.863 -10.634 12.245 166 2HE LYS 17 1HE LYS 17 -6.396 -10.082 13.851 167 1HZ LYS 17 1HZ LYS 17 -9.046 -9.659 12.586 168 2HZ LYS 17 2HZ LYS 17 -8.610 -9.149 14.128 169 3HZ LYS 17 3HZ LYS 17 -8.695 -10.819 13.770 170 H LYS 18 H LYS 18 -3.336 -6.812 8.485 171 HA LYS 18 HA LYS 18 -3.462 -9.571 7.790 172 1HB LYS 18 2HB LYS 18 -4.356 -7.523 6.509 173 2HB LYS 18 1HB LYS 18 -2.722 -7.394 5.876 174 1HG LYS 18 2HG LYS 18 -3.675 -8.661 4.245 175 2HG LYS 18 1HG LYS 18 -3.114 -9.946 5.322 176 1HD LYS 18 2HD LYS 18 -5.387 -10.423 4.680 177 2HD LYS 18 1HD LYS 18 -5.379 -9.945 6.384 178 1HE LYS 18 2HE LYS 18 -6.057 -7.691 5.782 179 2HE LYS 18 1HE LYS 18 -5.993 -8.095 4.073 180 1HZ LYS 18 1HZ LYS 18 -7.791 -9.788 4.602 181 2HZ LYS 18 2HZ LYS 18 -8.197 -8.172 4.660 182 3HZ LYS 18 3HZ LYS 18 -7.941 -9.012 6.108 183 H PHE 19 H PHE 19 -0.969 -7.089 6.997 184 HA PHE 19 HA PHE 19 0.947 -9.112 6.275 185 1HB PHE 19 2HB PHE 19 0.727 -6.734 5.240 186 2HB PHE 19 1HB PHE 19 1.359 -6.146 6.752 187 HD1 PHE 19 1HD PHE 19 2.204 -7.189 3.474 188 HD2 PHE 19 2HD PHE 19 3.732 -7.052 7.442 189 HE1 PHE 19 1HE PHE 19 4.497 -7.263 2.598 190 HE2 PHE 19 2HE PHE 19 6.023 -7.127 6.570 191 HZ PHE 19 HZ PHE 19 6.427 -7.202 4.146 192 H LYS 20 H LYS 20 0.065 -7.018 8.877 193 HA LYS 20 HA LYS 20 0.579 -6.822 11.024 194 1HB LYS 20 2HB LYS 20 0.262 -9.242 11.179 195 2HB LYS 20 1HB LYS 20 1.883 -9.530 10.591 196 1HG LYS 20 2HG LYS 20 1.394 -8.108 13.185 197 2HG LYS 20 1HG LYS 20 1.342 -9.859 13.079 198 1HD LYS 20 2HD LYS 20 3.713 -8.100 12.393 199 2HD LYS 20 1HD LYS 20 3.530 -9.054 13.863 200 1HE LYS 20 2HE LYS 20 4.913 -10.395 12.553 201 2HE LYS 20 1HE LYS 20 3.321 -11.073 12.244 202 1HZ LYS 20 1HZ LYS 20 3.318 -9.691 10.108 203 2HZ LYS 20 2HZ LYS 20 4.536 -10.857 10.181 204 3HZ LYS 20 3HZ LYS 20 4.903 -9.276 10.505 205 H LEU 21 H LEU 21 1.741 -5.086 11.133 206 HA LEU 21 HA LEU 21 4.506 -5.249 10.234 207 1HB LEU 21 2HB LEU 21 2.979 -2.727 10.917 208 2HB LEU 21 1HB LEU 21 4.512 -2.875 10.158 209 HG LEU 21 HG LEU 21 3.083 -2.303 8.383 210 1HD1 LEU 21 1HD1 LEU 21 4.617 -4.010 7.787 211 2HD1 LEU 21 2HD1 LEU 21 3.092 -4.204 6.910 212 3HD1 LEU 21 3HD1 LEU 21 3.454 -5.244 8.278 213 1HD2 LEU 21 1HD2 LEU 21 1.146 -4.510 9.166 214 2HD2 LEU 21 2HD2 LEU 21 1.045 -3.525 7.735 215 3HD2 LEU 21 3HD2 LEU 21 0.835 -2.774 9.303 216 H THR 22 H THR 22 2.619 -3.839 12.785 217 HA THR 22 HA THR 22 3.003 -3.138 14.765 218 HB THR 22 HB THR 22 4.204 -4.724 16.386 219 HG1 THR 22 1HG THR 22 5.153 -5.707 14.151 220 1HG2 THR 22 1HG2 THR 22 1.801 -4.725 16.009 221 2HG2 THR 22 2HG2 THR 22 2.394 -6.383 16.214 222 3HG2 THR 22 3HG2 THR 22 2.016 -5.765 14.604 223 H GLY 23 H GLY 23 3.863 -1.333 14.200 224 1HA GLY 23 2HA GLY 23 5.724 -0.041 15.386 225 2HA GLY 23 1HA GLY 23 6.776 -1.051 14.397 226 HA PRO 24 HA PRO 24 4.968 2.612 11.918 227 1HB PRO 24 2HB PRO 24 6.514 4.717 12.594 228 2HB PRO 24 1HB PRO 24 5.018 4.341 13.458 229 1HG PRO 24 2HG PRO 24 7.847 3.748 14.219 230 2HG PRO 24 1HG PRO 24 6.503 4.327 15.226 231 1HD PRO 24 2HD PRO 24 7.302 1.713 15.158 232 2HD PRO 24 1HD PRO 24 5.634 2.236 15.496 233 H ILE 25 H ILE 25 5.851 3.005 10.007 234 HA ILE 25 HA ILE 25 8.697 2.928 9.587 235 HB ILE 25 HB ILE 25 8.021 0.507 9.599 236 1HG1 ILE 25 2HG1 ILE 25 8.920 1.425 6.863 237 2HG1 ILE 25 1HG1 ILE 25 9.969 1.368 8.274 238 1HG2 ILE 25 1HG2 ILE 25 5.777 0.696 8.708 239 2HG2 ILE 25 2HG2 ILE 25 6.732 -0.405 7.716 240 3HG2 ILE 25 3HG2 ILE 25 6.412 1.235 7.153 241 1HD1 ILE 25 1HD1 ILE 25 9.623 -1.035 8.417 242 2HD1 ILE 25 2HD1 ILE 25 10.295 -0.549 6.857 243 3HD1 ILE 25 3HD1 ILE 25 8.583 -0.966 6.991 244 H GLN 26 H GLN 26 9.261 3.539 7.338 245 HA GLN 26 HA GLN 26 7.091 5.103 6.124 246 1HB GLN 26 2HB GLN 26 8.661 6.879 5.638 247 2HB GLN 26 1HB GLN 26 8.684 6.546 7.364 248 1HG GLN 26 2HG GLN 26 10.734 5.236 7.066 249 2HG GLN 26 1HG GLN 26 10.720 5.626 5.349 250 1HE2 GLN 26 1HE2 GLN 26 12.644 6.711 5.387 251 2HE2 GLN 26 2HE2 GLN 26 12.875 8.216 6.202 252 H VAL 27 H VAL 27 7.819 5.801 3.837 253 HA VAL 27 HA VAL 27 8.168 3.517 2.304 254 HB VAL 27 HB VAL 27 7.055 5.418 1.342 255 1HG1 VAL 27 1HG1 VAL 27 9.714 6.800 1.445 256 2HG1 VAL 27 2HG1 VAL 27 8.288 7.216 2.416 257 3HG1 VAL 27 3HG1 VAL 27 8.270 7.426 0.647 258 1HG2 VAL 27 1HG2 VAL 27 8.123 3.927 -0.221 259 2HG2 VAL 27 2HG2 VAL 27 9.615 4.860 -0.125 260 3HG2 VAL 27 3HG2 VAL 27 8.167 5.581 -0.829 261 H ILE 28 H ILE 28 9.738 2.455 1.706 262 HA ILE 28 HA ILE 28 12.442 3.268 2.384 263 HB ILE 28 HB ILE 28 11.343 0.622 1.402 264 1HG1 ILE 28 2HG1 ILE 28 10.469 1.123 3.593 265 2HG1 ILE 28 1HG1 ILE 28 11.698 -0.127 3.749 266 1HG2 ILE 28 1HG2 ILE 28 14.087 1.254 2.471 267 2HG2 ILE 28 2HG2 ILE 28 13.676 0.832 0.808 268 3HG2 ILE 28 3HG2 ILE 28 13.472 -0.359 2.092 269 1HD1 ILE 28 1HD1 ILE 28 13.299 1.561 4.524 270 2HD1 ILE 28 2HD1 ILE 28 11.861 1.499 5.547 271 3HD1 ILE 28 3HD1 ILE 28 12.056 2.802 4.376 272 H HIS 29 H HIS 29 10.356 2.770 -0.356 273 HA HIS 29 HA HIS 29 12.247 3.785 -2.223 274 1HB HIS 29 2HB HIS 29 11.686 0.819 -2.311 275 2HB HIS 29 1HB HIS 29 12.099 1.717 -3.753 276 HD1 HIS 29 1HD HIS 29 13.583 -0.459 -1.388 277 HD2 HIS 29 2HD HIS 29 14.813 3.096 -3.172 278 HE1 HIS 29 1HE HIS 29 16.072 -0.460 -1.255 279 HE2 HIS 29 2HE HIS 29 16.715 1.428 -2.770 280 H LEU 30 H LEU 30 11.335 3.978 -4.283 281 HA LEU 30 HA LEU 30 8.417 3.921 -4.174 282 1HB LEU 30 2HB LEU 30 10.240 5.419 -6.091 283 2HB LEU 30 1HB LEU 30 8.497 5.342 -6.218 284 HG LEU 30 HG LEU 30 9.059 7.455 -5.348 285 1HD1 LEU 30 1HD1 LEU 30 7.903 7.503 -3.212 286 2HD1 LEU 30 2HD1 LEU 30 8.011 5.745 -3.128 287 3HD1 LEU 30 3HD1 LEU 30 7.082 6.510 -4.419 288 1HD2 LEU 30 1HD2 LEU 30 11.296 7.039 -4.501 289 2HD2 LEU 30 2HD2 LEU 30 10.639 6.069 -3.182 290 3HD2 LEU 30 3HD2 LEU 30 10.309 7.802 -3.253 291 H ALA 31 H ALA 31 7.505 2.362 -5.080 292 HA ALA 31 HA ALA 31 8.900 0.823 -7.147 293 1HB ALA 31 1HB ALA 31 7.297 -0.932 -6.838 294 2HB ALA 31 2HB ALA 31 6.358 0.044 -5.721 295 3HB ALA 31 3HB ALA 31 7.987 -0.514 -5.274 296 H LYS 32 H LYS 32 7.878 0.144 -8.926 297 HA LYS 32 HA LYS 32 5.954 2.072 -9.986 298 1HB LYS 32 2HB LYS 32 8.074 1.936 -11.176 299 2HB LYS 32 1HB LYS 32 7.927 0.192 -11.277 300 1HG LYS 32 2HG LYS 32 5.908 0.503 -12.687 301 2HG LYS 32 1HG LYS 32 6.219 2.235 -12.717 302 1HD LYS 32 2HD LYS 32 7.170 1.234 -14.706 303 2HD LYS 32 1HD LYS 32 8.506 1.699 -13.643 304 1HE LYS 32 2HE LYS 32 8.538 -0.638 -12.772 305 2HE LYS 32 1HE LYS 32 7.322 -1.056 -13.968 306 1HZ LYS 32 1HZ LYS 32 8.970 -0.424 -15.714 307 2HZ LYS 32 2HZ LYS 32 9.414 -1.700 -14.718 308 3HZ LYS 32 3HZ LYS 32 10.116 -0.190 -14.465 309 H ALA 33 H ALA 33 3.889 1.272 -10.205 310 HA ALA 33 HA ALA 33 3.248 -1.457 -10.020 311 1HB ALA 33 1HB ALA 33 1.142 -0.754 -11.056 312 2HB ALA 33 2HB ALA 33 1.841 0.812 -11.427 313 3HB ALA 33 3HB ALA 33 1.586 0.334 -9.745 314 H CYS 34 H CYS 34 4.200 -2.813 -11.312 315 HA CYS 34 HA CYS 34 5.258 -2.102 -13.863 316 1HB CYS 34 2HB CYS 34 6.294 -3.750 -12.312 317 2HB CYS 34 1HB CYS 34 4.951 -4.842 -12.620 318 HG CYS 34 HG CYS 34 7.647 -4.145 -14.449 319 H CYS 35 H CYS 35 2.241 -3.206 -12.783 320 HA CYS 35 HA CYS 35 1.189 -3.290 -15.407 321 1HB CYS 35 2HB CYS 35 0.307 -5.644 -15.179 322 2HB CYS 35 1HB CYS 35 2.042 -5.535 -15.440 323 HG CYS 35 HG CYS 35 0.320 -6.840 -12.942 324 H ASP 36 H ASP 36 -1.103 -3.407 -15.358 325 HA ASP 36 HA ASP 36 -2.243 -2.268 -12.973 326 1HB ASP 36 2HB ASP 36 -4.367 -2.079 -14.178 327 2HB ASP 36 1HB ASP 36 -3.064 -1.502 -15.196 328 H VAL 37 H VAL 37 -2.984 -3.312 -11.354 329 HA VAL 37 HA VAL 37 -3.808 -6.103 -11.728 330 HB VAL 37 HB VAL 37 -1.728 -5.522 -10.320 331 1HG1 VAL 37 1HG1 VAL 37 -3.841 -4.676 -8.390 332 2HG1 VAL 37 2HG1 VAL 37 -2.604 -3.676 -9.143 333 3HG1 VAL 37 3HG1 VAL 37 -2.134 -4.934 -8.001 334 1HG2 VAL 37 1HG2 VAL 37 -2.204 -7.287 -8.686 335 2HG2 VAL 37 2HG2 VAL 37 -2.711 -7.723 -10.319 336 3HG2 VAL 37 3HG2 VAL 37 -3.910 -7.213 -9.129 337 H LYS 38 H LYS 38 -5.541 -6.750 -10.085 338 HA LYS 38 HA LYS 38 -7.387 -4.484 -9.894 339 1HB LYS 38 2HB LYS 38 -9.246 -6.025 -9.826 340 2HB LYS 38 1HB LYS 38 -8.233 -6.378 -11.209 341 1HG LYS 38 2HG LYS 38 -8.063 -7.933 -8.634 342 2HG LYS 38 1HG LYS 38 -9.181 -8.347 -9.927 343 1HD LYS 38 2HD LYS 38 -6.184 -8.169 -10.230 344 2HD LYS 38 1HD LYS 38 -7.073 -9.665 -9.946 345 1HE LYS 38 2HE LYS 38 -7.399 -7.822 -12.319 346 2HE LYS 38 1HE LYS 38 -6.537 -9.359 -12.319 347 1HZ LYS 38 1HZ LYS 38 -8.675 -10.448 -11.719 348 2HZ LYS 38 2HZ LYS 38 -8.695 -9.663 -13.222 349 3HZ LYS 38 3HZ LYS 38 -9.463 -8.948 -11.924 350 H GLY 39 H GLY 39 -5.328 -6.052 -7.803 351 1HA GLY 39 2HA GLY 39 -5.245 -6.027 -5.513 352 2HA GLY 39 1HA GLY 39 -6.757 -5.146 -5.440 353 H GLY 40 H GLY 40 -5.457 -8.290 -6.258 354 1HA GLY 40 2HA GLY 40 -8.063 -9.474 -5.589 355 2HA GLY 40 1HA GLY 40 -6.912 -10.161 -6.723 356 H LYS 41 H LYS 41 -8.249 -10.781 -4.047 357 HA LYS 41 HA LYS 41 -7.905 -11.982 -2.165 358 1HB LYS 41 2HB LYS 41 -6.815 -13.455 -4.133 359 2HB LYS 41 1HB LYS 41 -5.348 -13.149 -3.225 360 1HG LYS 41 2HG LYS 41 -7.834 -14.450 -2.097 361 2HG LYS 41 1HG LYS 41 -6.438 -15.319 -2.705 362 1HD LYS 41 2HD LYS 41 -6.187 -13.326 -0.464 363 2HD LYS 41 1HD LYS 41 -6.716 -14.973 -0.155 364 1HE LYS 41 2HE LYS 41 -4.352 -14.813 0.279 365 2HE LYS 41 1HE LYS 41 -4.592 -15.793 -1.155 366 1HZ LYS 41 1HZ LYS 41 -2.740 -14.143 -1.245 367 2HZ LYS 41 2HZ LYS 41 -3.909 -12.910 -1.278 368 3HZ LYS 41 3HZ LYS 41 -3.815 -14.024 -2.529 369 H ASN 42 H ASN 42 -7.508 -9.897 -1.273 370 HA ASN 42 HA ASN 42 -6.493 -8.401 0.022 371 1HB ASN 42 2HB ASN 42 -4.915 -10.846 0.820 372 2HB ASN 42 1HB ASN 42 -4.707 -9.284 1.609 373 1HD2 ASN 42 1HD2 ASN 42 -5.764 -11.923 2.554 374 2HD2 ASN 42 2HD2 ASN 42 -7.304 -11.534 3.222 375 H GLU 43 H GLU 43 -5.892 -7.503 -2.081 376 HA GLU 43 HA GLU 43 -3.005 -7.120 -2.121 377 1HB GLU 43 2HB GLU 43 -3.927 -8.728 -3.868 378 2HB GLU 43 1HB GLU 43 -4.814 -7.384 -4.462 379 1HG GLU 43 2HG GLU 43 -2.922 -6.245 -5.194 380 2HG GLU 43 1HG GLU 43 -1.836 -7.325 -4.303 381 H LEU 44 H LEU 44 -2.577 -5.141 -3.536 382 HA LEU 44 HA LEU 44 -4.353 -2.953 -2.763 383 1HB LEU 44 2HB LEU 44 -1.704 -3.221 -2.597 384 2HB LEU 44 1HB LEU 44 -1.785 -2.673 -4.255 385 HG LEU 44 HG LEU 44 -2.693 -1.156 -1.811 386 1HD1 LEU 44 1HD1 LEU 44 -0.439 -0.775 -3.707 387 2HD1 LEU 44 2HD1 LEU 44 -0.359 -1.330 -2.013 388 3HD1 LEU 44 3HD1 LEU 44 -0.905 0.316 -2.390 389 1HD2 LEU 44 1HD2 LEU 44 -2.621 -0.261 -4.672 390 2HD2 LEU 44 2HD2 LEU 44 -2.967 0.733 -3.256 391 3HD2 LEU 44 3HD2 LEU 44 -4.084 -0.563 -3.713 392 H SER 45 H SER 45 -5.364 -1.789 -4.368 393 HA SER 45 HA SER 45 -5.064 -2.958 -6.975 394 1HB SER 45 2HB SER 45 -7.239 -1.743 -7.547 395 2HB SER 45 1HB SER 45 -7.348 -3.032 -6.348 396 HG SER 45 HG SER 45 -7.158 -1.284 -4.736 397 H PHE 46 H PHE 46 -3.942 -2.000 -8.476 398 HA PHE 46 HA PHE 46 -3.738 0.879 -8.570 399 1HB PHE 46 2HB PHE 46 -1.178 0.606 -8.920 400 2HB PHE 46 1HB PHE 46 -1.787 0.459 -7.270 401 HD1 PHE 46 1HD PHE 46 -0.421 -1.313 -10.180 402 HD2 PHE 46 2HD PHE 46 -1.584 -1.602 -6.108 403 HE1 PHE 46 1HE PHE 46 0.786 -3.446 -9.993 404 HE2 PHE 46 2HE PHE 46 -0.389 -3.731 -5.914 405 HZ PHE 46 HZ PHE 46 0.804 -4.657 -7.854 406 H LYS 47 H LYS 47 -2.386 1.437 -10.586 407 HA LYS 47 HA LYS 47 -3.196 -0.366 -12.742 408 1HB LYS 47 2HB LYS 47 -3.188 2.671 -12.706 409 2HB LYS 47 1HB LYS 47 -3.496 1.678 -14.123 410 1HG LYS 47 2HG LYS 47 -5.511 0.795 -13.052 411 2HG LYS 47 1HG LYS 47 -5.197 1.812 -11.645 412 1HD LYS 47 2HD LYS 47 -5.418 3.810 -12.996 413 2HD LYS 47 1HD LYS 47 -5.624 2.830 -14.453 414 1HE LYS 47 2HE LYS 47 -7.676 1.881 -13.514 415 2HE LYS 47 1HE LYS 47 -7.467 2.854 -12.061 416 1HZ LYS 47 1HZ LYS 47 -7.786 3.989 -14.789 417 2HZ LYS 47 2HZ LYS 47 -7.826 4.855 -13.340 418 3HZ LYS 47 3HZ LYS 47 -9.055 3.758 -13.711 419 H GLN 48 H GLN 48 -1.755 -0.018 -14.600 420 HA GLN 48 HA GLN 48 0.944 -0.171 -13.755 421 1HB GLN 48 2HB GLN 48 -0.070 -1.203 -15.848 422 2HB GLN 48 1HB GLN 48 0.020 0.398 -16.570 423 1HG GLN 48 2HG GLN 48 2.494 0.352 -16.088 424 2HG GLN 48 1HG GLN 48 2.275 -1.317 -15.612 425 1HE2 GLN 48 1HE2 GLN 48 2.257 0.877 -18.303 426 2HE2 GLN 48 2HE2 GLN 48 2.278 -0.339 -19.526 427 H GLY 49 H GLY 49 2.401 1.385 -13.482 428 1HA GLY 49 2HA GLY 49 3.456 3.449 -13.695 429 2HA GLY 49 1HA GLY 49 2.231 3.912 -14.860 430 H GLU 50 H GLU 50 1.381 2.771 -11.696 431 HA GLU 50 HA GLU 50 0.183 5.359 -11.102 432 1HB GLU 50 2HB GLU 50 -0.102 2.678 -9.847 433 2HB GLU 50 1HB GLU 50 -0.600 4.095 -8.947 434 1HG GLU 50 2HG GLU 50 -1.624 3.196 -11.621 435 2HG GLU 50 1HG GLU 50 -2.469 3.100 -10.077 436 H GLN 51 H GLN 51 2.800 3.563 -10.182 437 HA GLN 51 HA GLN 51 4.553 3.794 -8.810 438 1HB GLN 51 2HB GLN 51 4.782 6.105 -9.575 439 2HB GLN 51 1HB GLN 51 3.610 6.640 -8.376 440 1HG GLN 51 2HG GLN 51 5.111 6.020 -6.580 441 2HG GLN 51 1HG GLN 51 6.264 5.366 -7.740 442 1HE2 GLN 51 1HE2 GLN 51 7.488 6.746 -8.941 443 2HE2 GLN 51 2HE2 GLN 51 7.657 8.422 -8.580 444 H ILE 52 H ILE 52 4.848 2.908 -7.044 445 HA ILE 52 HA ILE 52 2.828 3.131 -4.937 446 HB ILE 52 HB ILE 52 4.437 0.670 -5.703 447 1HG1 ILE 52 2HG1 ILE 52 1.684 1.555 -6.626 448 2HG1 ILE 52 1HG1 ILE 52 3.094 1.121 -7.558 449 1HG2 ILE 52 1HG2 ILE 52 2.797 -0.545 -4.340 450 2HG2 ILE 52 2HG2 ILE 52 1.995 0.977 -3.945 451 3HG2 ILE 52 3HG2 ILE 52 3.639 0.679 -3.386 452 1HD1 ILE 52 1HD1 ILE 52 1.387 -0.586 -7.635 453 2HD1 ILE 52 2HD1 ILE 52 1.530 -0.789 -5.887 454 3HD1 ILE 52 3HD1 ILE 52 2.897 -1.165 -6.935 455 H GLU 53 H GLU 53 3.814 2.817 -2.821 456 HA GLU 53 HA GLU 53 6.715 3.338 -2.793 457 1HB GLU 53 2HB GLU 53 4.874 3.946 -0.495 458 2HB GLU 53 1HB GLU 53 6.454 4.517 -0.940 459 1HG GLU 53 2HG GLU 53 5.791 6.039 -2.460 460 2HG GLU 53 1HG GLU 53 4.264 5.238 -2.803 461 H ILE 54 H ILE 54 7.880 1.834 -1.714 462 HA ILE 54 HA ILE 54 6.371 -0.364 -0.526 463 HB ILE 54 HB ILE 54 8.143 -1.047 -2.150 464 1HG1 ILE 54 2HG1 ILE 54 9.366 -2.647 -0.674 465 2HG1 ILE 54 1HG1 ILE 54 8.645 -1.835 0.712 466 1HG2 ILE 54 1HG2 ILE 54 10.490 -0.832 -1.628 467 2HG2 ILE 54 2HG2 ILE 54 10.091 0.158 -0.224 468 3HG2 ILE 54 3HG2 ILE 54 9.723 0.742 -1.848 469 1HD1 ILE 54 1HD1 ILE 54 6.457 -2.402 -0.077 470 2HD1 ILE 54 2HD1 ILE 54 7.483 -3.813 0.181 471 3HD1 ILE 54 3HD1 ILE 54 7.174 -3.241 -1.464 472 H ILE 55 H ILE 55 6.142 -0.537 1.522 473 HA ILE 55 HA ILE 55 7.986 0.935 3.233 474 HB ILE 55 HB ILE 55 6.170 0.675 5.053 475 1HG1 ILE 55 2HG1 ILE 55 4.747 -0.865 3.544 476 2HG1 ILE 55 1HG1 ILE 55 3.885 0.342 4.472 477 1HG2 ILE 55 1HG2 ILE 55 5.746 2.588 2.786 478 2HG2 ILE 55 2HG2 ILE 55 6.800 2.800 4.185 479 3HG2 ILE 55 3HG2 ILE 55 5.050 2.749 4.399 480 1HD1 ILE 55 1HD1 ILE 55 3.009 0.177 2.216 481 2HD1 ILE 55 2HD1 ILE 55 4.605 0.505 1.544 482 3HD1 ILE 55 3HD1 ILE 55 3.759 1.755 2.456 483 H ARG 56 H ARG 56 6.230 -2.120 2.981 484 HA ARG 56 HA ARG 56 8.289 -3.162 4.743 485 1HB ARG 56 2HB ARG 56 5.379 -3.553 4.912 486 2HB ARG 56 1HB ARG 56 6.387 -4.952 5.240 487 1HG ARG 56 2HG ARG 56 6.914 -2.349 6.572 488 2HG ARG 56 1HG ARG 56 5.691 -3.470 7.226 489 1HD ARG 56 2HD ARG 56 7.576 -5.150 7.222 490 2HD ARG 56 1HD ARG 56 8.650 -3.805 6.832 491 HE ARG 56 HE ARG 56 7.233 -2.995 9.046 492 1HH1 ARG 56 1HH1 ARG 56 9.467 -5.593 8.293 493 2HH1 ARG 56 2HH1 ARG 56 9.961 -5.858 9.905 494 1HH2 ARG 56 1HH2 ARG 56 7.858 -3.286 11.188 495 2HH2 ARG 56 2HH2 ARG 56 9.003 -4.480 11.637 496 H ILE 57 H ILE 57 9.569 -4.086 3.656 497 HA ILE 57 HA ILE 57 8.864 -6.168 1.716 498 HB ILE 57 HB ILE 57 11.414 -6.233 1.362 499 1HG1 ILE 57 2HG1 ILE 57 12.045 -4.876 3.377 500 2HG1 ILE 57 1HG1 ILE 57 12.776 -4.304 1.883 501 1HG2 ILE 57 1HG2 ILE 57 11.448 -4.389 -0.223 502 2HG2 ILE 57 2HG2 ILE 57 9.937 -3.799 0.464 503 3HG2 ILE 57 3HG2 ILE 57 9.991 -5.378 -0.326 504 1HD1 ILE 57 1HD1 ILE 57 12.006 -2.420 3.269 505 2HD1 ILE 57 2HD1 ILE 57 10.390 -3.147 3.263 506 3HD1 ILE 57 3HD1 ILE 57 11.050 -2.541 1.765 507 H THR 58 H THR 58 10.214 -5.431 4.773 508 HA THR 58 HA THR 58 11.331 -7.989 5.276 509 HB THR 58 HB THR 58 11.705 -6.786 7.498 510 HG1 THR 58 1HG THR 58 11.421 -4.432 7.237 511 1HG2 THR 58 1HG2 THR 58 12.712 -5.487 4.969 512 2HG2 THR 58 2HG2 THR 58 13.428 -6.913 5.734 513 3HG2 THR 58 3HG2 THR 58 13.459 -5.344 6.560 514 H ASP 59 H ASP 59 10.381 -9.467 6.571 515 HA ASP 59 HA ASP 59 8.981 -10.535 7.983 516 1HB ASP 59 2HB ASP 59 9.217 -8.504 9.418 517 2HB ASP 59 1HB ASP 59 7.813 -7.794 8.632 518 H ASN 60 H ASN 60 8.429 -10.142 5.256 519 HA ASN 60 HA ASN 60 5.619 -9.798 4.895 520 1HB ASN 60 2HB ASN 60 5.990 -10.585 2.571 521 2HB ASN 60 1HB ASN 60 7.085 -9.292 3.025 522 1HD2 ASN 60 1HD2 ASN 60 9.283 -9.697 3.061 523 2HD2 ASN 60 2HD2 ASN 60 9.957 -11.170 2.507 524 HA PRO 61 HA PRO 61 4.554 -13.862 6.226 525 1HB PRO 61 2HB PRO 61 1.800 -13.367 5.609 526 2HB PRO 61 1HB PRO 61 2.592 -13.295 7.184 527 1HG PRO 61 2HG PRO 61 1.565 -11.115 5.808 528 2HG PRO 61 1HG PRO 61 2.756 -11.030 7.115 529 1HD PRO 61 2HD PRO 61 3.146 -10.855 4.166 530 2HD PRO 61 1HD PRO 61 4.018 -10.030 5.476 531 H GLU 62 H GLU 62 2.483 -12.853 3.502 532 HA GLU 62 HA GLU 62 2.377 -15.522 2.477 533 1HB GLU 62 2HB GLU 62 0.452 -13.973 2.418 534 2HB GLU 62 1HB GLU 62 1.338 -12.922 1.336 535 1HG GLU 62 2HG GLU 62 1.227 -14.529 -0.426 536 2HG GLU 62 1HG GLU 62 0.577 -15.754 0.655 537 H GLY 63 H GLY 63 4.748 -13.298 2.285 538 1HA GLY 63 2HA GLY 63 6.669 -13.366 0.948 539 2HA GLY 63 1HA GLY 63 5.826 -14.462 -0.147 540 H LYS 64 H LYS 64 4.227 -11.637 0.858 541 HA LYS 64 HA LYS 64 4.675 -10.408 -1.728 542 1HB LYS 64 2HB LYS 64 2.396 -9.758 -1.710 543 2HB LYS 64 1HB LYS 64 2.397 -11.464 -1.292 544 1HG LYS 64 2HG LYS 64 2.271 -10.542 1.162 545 2HG LYS 64 1HG LYS 64 1.768 -9.063 0.361 546 1HD LYS 64 2HD LYS 64 0.404 -11.744 0.265 547 2HD LYS 64 1HD LYS 64 -0.235 -10.220 0.875 548 1HE LYS 64 2HE LYS 64 -0.169 -9.317 -1.438 549 2HE LYS 64 1HE LYS 64 0.425 -10.892 -1.978 550 1HZ LYS 64 1HZ LYS 64 -1.597 -11.874 -1.122 551 2HZ LYS 64 2HZ LYS 64 -1.860 -10.775 -2.390 552 3HZ LYS 64 3HZ LYS 64 -2.242 -10.312 -0.812 553 H TRP 65 H TRP 65 4.425 -8.013 -1.524 554 HA TRP 65 HA TRP 65 5.854 -7.183 0.912 555 1HB TRP 65 2HB TRP 65 5.807 -6.149 -1.883 556 2HB TRP 65 1HB TRP 65 6.351 -5.101 -0.599 557 HD1 TRP 65 HD TRP 65 7.821 -7.872 0.802 558 HE1 TRP 65 1HE TRP 65 10.137 -8.488 -0.150 559 HE3 TRP 65 3HE TRP 65 7.632 -5.259 -3.611 560 HZ2 TRP 65 2HZ TRP 65 11.666 -7.950 -2.442 561 HZ3 TRP 65 3HZ TRP 65 9.572 -5.366 -5.109 562 HH2 TRP 65 HH TRP 65 11.544 -6.682 -4.539 563 H LEU 66 H LEU 66 5.453 -4.803 1.465 564 HA LEU 66 HA LEU 66 2.567 -4.340 1.262 565 1HB LEU 66 2HB LEU 66 3.326 -4.677 3.575 566 2HB LEU 66 1HB LEU 66 4.498 -3.388 3.370 567 HG LEU 66 HG LEU 66 2.652 -1.775 3.066 568 1HD1 LEU 66 1HD1 LEU 66 0.391 -2.401 3.651 569 2HD1 LEU 66 2HD1 LEU 66 0.890 -4.089 3.791 570 3HD1 LEU 66 3HD1 LEU 66 0.959 -3.272 2.224 571 1HD2 LEU 66 1HD2 LEU 66 2.516 -3.375 5.608 572 2HD2 LEU 66 2HD2 LEU 66 1.926 -1.726 5.390 573 3HD2 LEU 66 3HD2 LEU 66 3.652 -2.074 5.254 574 H GLY 67 H GLY 67 2.249 -3.000 -0.288 575 1HA GLY 67 2HA GLY 67 4.039 -0.700 -0.538 576 2HA GLY 67 1HA GLY 67 3.176 -1.436 -1.891 577 H ARG 68 H ARG 68 3.050 1.239 -1.152 578 HA ARG 68 HA ARG 68 0.164 1.515 -0.630 579 1HB ARG 68 2HB ARG 68 1.143 2.115 1.377 580 2HB ARG 68 1HB ARG 68 2.438 3.073 0.639 581 1HG ARG 68 2HG ARG 68 0.500 4.601 -0.115 582 2HG ARG 68 1HG ARG 68 -0.492 3.731 1.059 583 1HD ARG 68 2HD ARG 68 0.405 5.713 2.091 584 2HD ARG 68 1HD ARG 68 1.164 4.298 2.811 585 HE ARG 68 HE ARG 68 2.553 5.710 0.640 586 1HH1 ARG 68 1HH1 ARG 68 2.480 4.765 4.104 587 2HH1 ARG 68 2HH1 ARG 68 3.993 5.415 4.456 588 1HH2 ARG 68 1HH2 ARG 68 4.657 6.653 1.160 589 2HH2 ARG 68 2HH2 ARG 68 5.260 6.530 2.755 590 H THR 69 H THR 69 -0.789 3.028 -1.741 591 HA THR 69 HA THR 69 0.738 4.269 -3.952 592 HB THR 69 HB THR 69 -2.282 4.170 -3.767 593 HG1 THR 69 1HG THR 69 -0.429 2.130 -4.113 594 1HG2 THR 69 1HG2 THR 69 -2.086 4.073 -6.208 595 2HG2 THR 69 2HG2 THR 69 -0.324 4.028 -6.076 596 3HG2 THR 69 3HG2 THR 69 -1.209 5.469 -5.581 597 H ALA 70 H ALA 70 -0.092 6.589 -4.524 598 HA ALA 70 HA ALA 70 0.505 8.232 -2.357 599 1HB ALA 70 1HB ALA 70 0.893 8.850 -4.701 600 2HB ALA 70 2HB ALA 70 -0.003 10.098 -3.830 601 3HB ALA 70 3HB ALA 70 -0.848 9.015 -4.936 602 H ARG 71 H ARG 71 -2.551 7.180 -3.569 603 HA ARG 71 HA ARG 71 -4.123 8.986 -2.000 604 1HB ARG 71 2HB ARG 71 -6.041 7.499 -2.559 605 2HB ARG 71 1HB ARG 71 -5.130 8.082 -3.943 606 1HG ARG 71 2HG ARG 71 -4.086 5.948 -4.246 607 2HG ARG 71 1HG ARG 71 -4.778 5.346 -2.736 608 1HD ARG 71 2HD ARG 71 -6.924 5.372 -3.570 609 2HD ARG 71 1HD ARG 71 -6.500 6.349 -4.984 610 HE ARG 71 HE ARG 71 -5.198 3.774 -4.844 611 1HH1 ARG 71 1HH1 ARG 71 -8.163 5.420 -5.910 612 2HH1 ARG 71 2HH1 ARG 71 -8.486 4.312 -7.161 613 1HH2 ARG 71 1HH2 ARG 71 -5.643 2.281 -6.521 614 2HH2 ARG 71 2HH2 ARG 71 -6.989 2.484 -7.553 615 H GLY 72 H GLY 72 -2.295 6.379 -1.073 616 1HA GLY 72 2HA GLY 72 -2.029 5.415 0.942 617 2HA GLY 72 1HA GLY 72 -3.379 6.309 1.589 618 H SER 73 H SER 73 -2.274 3.426 0.154 619 HA SER 73 HA SER 73 -4.556 2.003 0.856 620 1HB SER 73 2HB SER 73 -3.516 1.922 -1.936 621 2HB SER 73 1HB SER 73 -4.884 1.028 -1.316 622 HG SER 73 HG SER 73 -5.496 3.495 -0.839 623 H TYR 74 H TYR 74 -3.580 0.572 1.731 624 HA TYR 74 HA TYR 74 -0.850 -0.324 1.042 625 1HB TYR 74 2HB TYR 74 -2.505 -0.085 3.344 626 2HB TYR 74 1HB TYR 74 -1.216 -1.332 3.501 627 HD1 TYR 74 1HD TYR 74 -2.338 2.105 3.628 628 HD2 TYR 74 2HD TYR 74 1.118 -0.338 3.703 629 HE1 TYR 74 1HE TYR 74 -1.064 3.951 4.606 630 HE2 TYR 74 2HE TYR 74 2.409 1.518 4.678 631 HH TYR 74 HH TYR 74 0.952 4.199 6.020 632 H GLY 75 H GLY 75 -1.461 -1.907 -0.420 633 1HA GLY 75 2HA GLY 75 -3.457 -3.749 0.635 634 2HA GLY 75 1HA GLY 75 -3.276 -3.430 -1.098 635 H TYR 76 H TYR 76 -0.504 -3.771 0.739 636 HA TYR 76 HA TYR 76 1.135 -5.338 0.530 637 1HB TYR 76 2HB TYR 76 -0.164 -7.785 1.239 638 2HB TYR 76 1HB TYR 76 0.708 -6.721 2.327 639 HD1 TYR 76 1HD TYR 76 -0.631 -4.933 3.623 640 HD2 TYR 76 2HD TYR 76 -2.509 -7.971 1.305 641 HE1 TYR 76 1HE TYR 76 -2.771 -4.416 4.673 642 HE2 TYR 76 2HE TYR 76 -4.666 -7.445 2.361 643 HH TYR 76 HH TYR 76 -5.268 -4.674 3.948 644 H ILE 77 H ILE 77 1.648 -5.246 -1.433 645 HA ILE 77 HA ILE 77 0.400 -6.262 -3.751 646 HB ILE 77 HB ILE 77 2.787 -5.983 -4.605 647 1HG1 ILE 77 2HG1 ILE 77 2.947 -4.432 -2.026 648 2HG1 ILE 77 1HG1 ILE 77 3.926 -5.807 -2.511 649 1HG2 ILE 77 1HG2 ILE 77 0.950 -4.574 -5.240 650 2HG2 ILE 77 2HG2 ILE 77 2.394 -3.600 -4.960 651 3HG2 ILE 77 3HG2 ILE 77 1.103 -3.636 -3.739 652 1HD1 ILE 77 1HD1 ILE 77 4.913 -4.483 -4.268 653 2HD1 ILE 77 2HD1 ILE 77 5.145 -3.733 -2.682 654 3HD1 ILE 77 3HD1 ILE 77 3.919 -3.104 -3.800 655 H LYS 78 H LYS 78 0.841 -8.071 -4.922 656 HA LYS 78 HA LYS 78 2.779 -9.849 -3.820 657 1HB LYS 78 2HB LYS 78 2.238 -11.336 -5.702 658 2HB LYS 78 1HB LYS 78 0.725 -10.789 -5.008 659 1HG LYS 78 2HG LYS 78 0.372 -9.269 -6.806 660 2HG LYS 78 1HG LYS 78 2.074 -9.543 -7.272 661 1HD LYS 78 2HD LYS 78 0.489 -10.748 -8.813 662 2HD LYS 78 1HD LYS 78 1.547 -11.842 -7.935 663 1HE LYS 78 2HE LYS 78 -0.613 -12.810 -7.917 664 2HE LYS 78 1HE LYS 78 -0.340 -12.170 -6.298 665 1HZ LYS 78 1HZ LYS 78 -1.665 -10.206 -6.944 666 2HZ LYS 78 2HZ LYS 78 -2.530 -11.644 -7.018 667 3HZ LYS 78 3HZ LYS 78 -1.991 -10.938 -8.440 668 H THR 79 H THR 79 4.471 -9.272 -4.073 669 HA THR 79 HA THR 79 5.995 -7.290 -5.008 670 HB THR 79 HB THR 79 8.002 -8.644 -4.909 671 HG1 THR 79 1HG THR 79 6.370 -10.959 -4.801 672 1HG2 THR 79 1HG2 THR 79 5.910 -9.740 -3.035 673 2HG2 THR 79 2HG2 THR 79 6.837 -8.259 -2.786 674 3HG2 THR 79 3HG2 THR 79 7.655 -9.822 -2.800 675 H THR 80 H THR 80 5.170 -10.041 -7.000 676 HA THR 80 HA THR 80 6.811 -9.424 -9.199 677 HB THR 80 HB THR 80 6.073 -11.683 -8.735 678 HG1 THR 80 1HG THR 80 6.430 -11.020 -10.933 679 1HG2 THR 80 1HG2 THR 80 3.284 -10.679 -9.322 680 2HG2 THR 80 2HG2 THR 80 3.911 -11.146 -7.759 681 3HG2 THR 80 3HG2 THR 80 3.716 -12.366 -9.013 682 H ALA 81 H ALA 81 3.907 -7.863 -8.142 683 HA ALA 81 HA ALA 81 3.134 -7.147 -10.842 684 1HB ALA 81 1HB ALA 81 1.380 -7.691 -9.218 685 2HB ALA 81 2HB ALA 81 1.258 -6.011 -9.748 686 3HB ALA 81 3HB ALA 81 1.946 -6.392 -8.168 687 H VAL 82 H VAL 82 5.376 -6.175 -8.601 688 HA VAL 82 HA VAL 82 5.393 -3.483 -9.748 689 HB VAL 82 HB VAL 82 6.226 -2.539 -7.634 690 1HG1 VAL 82 1HG1 VAL 82 3.920 -2.279 -8.224 691 2HG1 VAL 82 2HG1 VAL 82 4.083 -2.460 -6.482 692 3HG1 VAL 82 3HG1 VAL 82 3.510 -3.815 -7.464 693 1HG2 VAL 82 1HG2 VAL 82 5.437 -5.202 -6.441 694 2HG2 VAL 82 2HG2 VAL 82 5.881 -3.772 -5.528 695 3HG2 VAL 82 3HG2 VAL 82 7.076 -4.563 -6.554 696 H GLU 83 H GLU 83 7.334 -2.403 -9.625 697 HA GLU 83 HA GLU 83 9.746 -4.038 -9.224 698 1HB GLU 83 2HB GLU 83 9.196 -2.010 -11.376 699 2HB GLU 83 1HB GLU 83 10.780 -2.726 -11.101 700 1HG GLU 83 2HG GLU 83 9.800 -4.953 -11.619 701 2HG GLU 83 1HG GLU 83 8.285 -4.148 -12.022 702 H ILE 84 H ILE 84 10.637 -3.131 -7.449 703 HA ILE 84 HA ILE 84 9.939 -0.452 -6.742 704 HB ILE 84 HB ILE 84 11.294 -0.631 -4.772 705 1HG1 ILE 84 2HG1 ILE 84 12.227 -3.374 -5.576 706 2HG1 ILE 84 1HG1 ILE 84 13.141 -1.938 -6.034 707 1HG2 ILE 84 1HG2 ILE 84 9.803 -3.194 -5.286 708 2HG2 ILE 84 2HG2 ILE 84 9.128 -1.681 -4.675 709 3HG2 ILE 84 3HG2 ILE 84 10.284 -2.587 -3.702 710 1HD1 ILE 84 1HD1 ILE 84 12.436 -2.768 -3.232 711 2HD1 ILE 84 2HD1 ILE 84 13.300 -1.310 -3.711 712 3HD1 ILE 84 3HD1 ILE 84 14.033 -2.886 -4.004 713 H ASP 85 H ASP 85 11.604 1.110 -6.057 714 HA ASP 85 HA ASP 85 13.514 1.725 -8.041 715 1HB ASP 85 2HB ASP 85 12.529 3.410 -6.583 716 2HB ASP 85 1HB ASP 85 13.278 2.665 -5.171 717 H TYR 86 H TYR 86 15.049 0.277 -8.369 718 HA TYR 86 HA TYR 86 16.365 -1.086 -6.169 719 1HB TYR 86 2HB TYR 86 17.072 -1.163 -9.118 720 2HB TYR 86 1HB TYR 86 17.576 -2.302 -7.878 721 HD1 TYR 86 1HD TYR 86 15.676 -3.652 -6.731 722 HD2 TYR 86 2HD TYR 86 15.224 -1.605 -10.426 723 HE1 TYR 86 1HE TYR 86 13.739 -5.061 -7.274 724 HE2 TYR 86 2HE TYR 86 13.284 -3.009 -10.978 725 HH TYR 86 HH TYR 86 12.393 -5.170 -10.390 726 H ASP 87 H ASP 87 17.089 1.105 -8.791 727 HA ASP 87 HA ASP 87 18.680 2.861 -7.330 728 1HB ASP 87 2HB ASP 87 20.393 1.107 -7.331 729 2HB ASP 87 1HB ASP 87 20.249 0.943 -9.076 730 H SER 88 H SER 88 17.998 4.565 -8.295 731 HA SER 88 HA SER 88 17.702 4.535 -11.198 732 1HB SER 88 2HB SER 88 16.318 6.254 -9.138 733 2HB SER 88 1HB SER 88 15.968 6.183 -10.867 734 HG SER 88 HG SER 88 15.193 4.554 -8.841 735 H LEU 89 H LEU 89 17.786 6.866 -12.018 736 HA LEU 89 HA LEU 89 19.013 8.591 -12.638 737 1HB LEU 89 2HB LEU 89 19.396 8.938 -9.663 738 2HB LEU 89 1HB LEU 89 20.044 10.073 -10.824 739 HG LEU 89 HG LEU 89 17.683 10.483 -11.612 740 1HD1 LEU 89 1HD1 LEU 89 16.937 8.961 -9.130 741 2HD1 LEU 89 2HD1 LEU 89 16.625 8.461 -10.791 742 3HD1 LEU 89 3HD1 LEU 89 15.839 9.903 -10.138 743 1HD2 LEU 89 1HD2 LEU 89 17.114 11.927 -9.741 744 2HD2 LEU 89 2HD2 LEU 89 18.830 12.018 -10.142 745 3HD2 LEU 89 3HD2 LEU 89 18.300 11.093 -8.738 746 H LYS 90 H LYS 90 20.270 7.130 -13.689 747 HA LYS 90 HA LYS 90 23.054 7.197 -12.901 748 1HB LYS 90 2HB LYS 90 23.289 4.753 -13.199 749 2HB LYS 90 1HB LYS 90 22.281 5.175 -11.827 750 1HG LYS 90 2HG LYS 90 20.291 4.807 -13.404 751 2HG LYS 90 1HG LYS 90 21.453 4.017 -14.473 752 1HD LYS 90 2HD LYS 90 20.875 3.264 -11.611 753 2HD LYS 90 1HD LYS 90 20.314 2.403 -13.043 754 1HE LYS 90 2HE LYS 90 22.502 1.727 -13.605 755 2HE LYS 90 1HE LYS 90 23.224 2.856 -12.458 756 1HZ LYS 90 1HZ LYS 90 23.243 0.581 -11.596 757 2HZ LYS 90 2HZ LYS 90 21.544 0.520 -11.689 758 3HZ LYS 90 3HZ LYS 90 22.292 1.624 -10.676 759 H LEU 91 H LEU 91 24.413 6.290 -14.732 760 HA LEU 91 HA LEU 91 23.150 7.184 -17.210 761 1HB LEU 91 2HB LEU 91 26.068 6.881 -16.523 762 2HB LEU 91 1HB LEU 91 25.442 7.475 -18.048 763 HG LEU 91 HG LEU 91 25.129 8.821 -15.365 764 1HD1 LEU 91 1HD1 LEU 91 26.614 10.512 -16.300 765 2HD1 LEU 91 2HD1 LEU 91 26.797 9.538 -17.758 766 3HD1 LEU 91 3HD1 LEU 91 27.393 8.933 -16.213 767 1HD2 LEU 91 1HD2 LEU 91 24.190 10.692 -16.643 768 2HD2 LEU 91 2HD2 LEU 91 23.201 9.243 -16.808 769 3HD2 LEU 91 3HD2 LEU 91 24.280 9.730 -18.118 770 H LYS 92 H LYS 92 24.923 4.516 -15.793 771 HA LYS 92 HA LYS 92 24.670 3.066 -18.326 772 1HB LYS 92 2HB LYS 92 26.285 2.413 -15.861 773 2HB LYS 92 1HB LYS 92 26.235 1.452 -17.325 774 1HG LYS 92 2HG LYS 92 27.206 4.307 -17.287 775 2HG LYS 92 1HG LYS 92 28.263 2.940 -16.976 776 1HD LYS 92 2HD LYS 92 28.545 3.527 -19.263 777 2HD LYS 92 1HD LYS 92 27.593 2.049 -19.244 778 1HE LYS 92 2HE LYS 92 25.561 3.378 -19.626 779 2HE LYS 92 1HE LYS 92 26.532 4.851 -19.639 780 1HZ LYS 92 1HZ LYS 92 27.743 3.959 -21.556 781 2HZ LYS 92 2HZ LYS 92 26.120 4.134 -21.908 782 3HZ LYS 92 3HZ LYS 92 26.754 2.597 -21.570 783 H LYS 93 H LYS 93 23.334 1.460 -18.555 784 HA LYS 93 HA LYS 93 21.938 -0.258 -18.242 785 1HB LYS 93 2HB LYS 93 23.137 -0.401 -15.472 786 2HB LYS 93 1HB LYS 93 22.105 -1.636 -16.190 787 1HG LYS 93 2HG LYS 93 23.755 -1.921 -18.002 788 2HG LYS 93 1HG LYS 93 24.797 -0.744 -17.209 789 1HD LYS 93 2HD LYS 93 25.550 -2.975 -16.690 790 2HD LYS 93 1HD LYS 93 24.895 -2.225 -15.233 791 1HE LYS 93 2HE LYS 93 24.177 -4.551 -15.434 792 2HE LYS 93 1HE LYS 93 22.806 -3.449 -15.539 793 1HZ LYS 93 1HZ LYS 93 22.728 -5.247 -17.190 794 2HZ LYS 93 2HZ LYS 93 24.142 -4.667 -17.910 795 3HZ LYS 93 3HZ LYS 93 22.736 -3.729 -17.890 796 H ASP 94 H ASP 94 21.004 2.424 -17.724 797 HA ASP 94 HA ASP 94 18.968 1.961 -15.702 798 1HB ASP 94 2HB ASP 94 19.955 4.204 -15.719 799 2HB ASP 94 1HB ASP 94 19.469 4.422 -17.399 800 H LEU 95 H LEU 95 17.616 0.541 -16.400 801 HA LEU 95 HA LEU 95 15.953 -0.467 -17.467 802 1HB LEU 95 2HB LEU 95 14.773 1.644 -17.124 803 2HB LEU 95 1HB LEU 95 15.435 2.282 -18.611 804 HG LEU 95 HG LEU 95 14.144 0.593 -19.878 805 1HD1 LEU 95 1HD1 LEU 95 12.936 -0.058 -17.193 806 2HD1 LEU 95 2HD1 LEU 95 13.955 -1.121 -18.163 807 3HD1 LEU 95 3HD1 LEU 95 12.362 -0.650 -18.752 808 1HD2 LEU 95 1HD2 LEU 95 12.527 2.340 -18.026 809 2HD2 LEU 95 2HD2 LEU 95 11.960 1.654 -19.548 810 3HD2 LEU 95 3HD2 LEU 95 13.265 2.840 -19.547 811 H GLU 96 H GLU 96 17.519 -1.692 -18.532 812 HA GLU 96 HA GLU 96 17.045 -1.822 -21.307 813 1HB GLU 96 2HB GLU 96 19.520 -1.843 -21.931 814 2HB GLU 96 1HB GLU 96 18.817 -0.271 -21.604 815 1HG GLU 96 2HG GLU 96 19.842 -0.269 -19.387 816 2HG GLU 96 1HG GLU 96 20.518 -1.867 -19.695 Start of MODEL 18 1 1H GLU 1 1HT GLU 1 -4.608 20.729 20.306 2 2H GLU 1 2HT GLU 1 -5.803 20.622 19.134 3 3H GLU 1 3HT GLU 1 -4.200 21.083 18.695 4 HA GLU 1 HA GLU 1 -5.144 18.478 19.686 5 1HB GLU 1 2HB GLU 1 -5.541 19.020 17.280 6 2HB GLU 1 1HB GLU 1 -3.819 19.297 17.089 7 1HG GLU 1 2HG GLU 1 -3.389 16.954 17.639 8 2HG GLU 1 1HG GLU 1 -5.125 16.684 17.817 9 H LYS 2 H LYS 2 -3.774 17.756 21.119 10 HA LYS 2 HA LYS 2 -0.956 17.662 20.620 11 1HB LYS 2 2HB LYS 2 -1.331 19.990 21.542 12 2HB LYS 2 1HB LYS 2 -1.988 19.266 22.991 13 1HG LYS 2 2HG LYS 2 0.840 18.751 22.082 14 2HG LYS 2 1HG LYS 2 0.408 20.151 23.050 15 1HD LYS 2 2HD LYS 2 0.001 17.257 23.834 16 2HD LYS 2 1HD LYS 2 1.290 18.307 24.420 17 1HE LYS 2 2HE LYS 2 -1.672 18.706 24.855 18 2HE LYS 2 1HE LYS 2 -0.521 18.128 26.052 19 1HZ LYS 2 1HZ LYS 2 -0.973 20.434 26.404 20 2HZ LYS 2 2HZ LYS 2 -0.602 20.846 24.826 21 3HZ LYS 2 3HZ LYS 2 0.625 20.318 25.867 22 H LYS 3 H LYS 3 -0.277 15.827 21.453 23 HA LYS 3 HA LYS 3 -0.017 13.958 22.668 24 1HB LYS 3 2HB LYS 3 -0.236 15.248 24.732 25 2HB LYS 3 1HB LYS 3 -1.988 15.174 24.625 26 1HG LYS 3 2HG LYS 3 -1.878 12.735 24.897 27 2HG LYS 3 1HG LYS 3 -0.126 12.850 25.058 28 1HD LYS 3 2HD LYS 3 -0.386 14.227 27.044 29 2HD LYS 3 1HD LYS 3 -2.143 14.175 26.867 30 1HE LYS 3 2HE LYS 3 -0.320 11.823 27.366 31 2HE LYS 3 1HE LYS 3 -1.398 12.575 28.540 32 1HZ LYS 3 1HZ LYS 3 -3.272 11.960 27.107 33 2HZ LYS 3 2HZ LYS 3 -2.425 10.610 27.655 34 3HZ LYS 3 3HZ LYS 3 -2.228 11.121 26.072 35 H GLU 4 H GLU 4 -3.373 14.899 22.365 36 HA GLU 4 HA GLU 4 -4.204 12.127 22.125 37 1HB GLU 4 2HB GLU 4 -5.509 13.830 23.422 38 2HB GLU 4 1HB GLU 4 -5.809 14.682 21.917 39 1HG GLU 4 2HG GLU 4 -7.004 12.718 21.068 40 2HG GLU 4 1HG GLU 4 -6.725 11.899 22.606 41 H GLN 5 H GLN 5 -4.433 11.158 20.207 42 HA GLN 5 HA GLN 5 -4.811 10.733 18.052 43 1HB GLN 5 2HB GLN 5 -6.570 12.359 17.885 44 2HB GLN 5 1HB GLN 5 -5.428 13.688 17.837 45 1HG GLN 5 2HG GLN 5 -4.702 13.008 15.623 46 2HG GLN 5 1HG GLN 5 -5.769 11.608 15.685 47 1HE2 GLN 5 1HE2 GLN 5 -5.723 13.874 13.793 48 2HE2 GLN 5 2HE2 GLN 5 -7.288 14.571 13.908 49 H LYS 6 H LYS 6 -3.541 10.352 16.383 50 HA LYS 6 HA LYS 6 -1.066 11.928 16.131 51 1HB LYS 6 2HB LYS 6 -1.498 8.957 15.698 52 2HB LYS 6 1HB LYS 6 -0.017 9.811 15.313 53 1HG LYS 6 2HG LYS 6 0.304 10.331 17.671 54 2HG LYS 6 1HG LYS 6 -1.207 9.507 18.059 55 1HD LYS 6 2HD LYS 6 -0.285 7.412 17.205 56 2HD LYS 6 1HD LYS 6 1.218 8.237 16.790 57 1HE LYS 6 2HE LYS 6 1.612 8.755 19.127 58 2HE LYS 6 1HE LYS 6 0.072 8.020 19.566 59 1HZ LYS 6 1HZ LYS 6 0.905 5.900 18.774 60 2HZ LYS 6 2HZ LYS 6 1.870 6.521 19.993 61 3HZ LYS 6 3HZ LYS 6 2.405 6.591 18.382 62 H GLU 7 H GLU 7 -0.170 11.319 13.731 63 HA GLU 7 HA GLU 7 -2.532 11.475 12.033 64 1HB GLU 7 2HB GLU 7 -1.422 13.680 12.130 65 2HB GLU 7 1HB GLU 7 0.073 12.946 11.562 66 1HG GLU 7 2HG GLU 7 -1.027 12.320 9.469 67 2HG GLU 7 1HG GLU 7 -2.522 13.054 10.041 68 H LYS 8 H LYS 8 -2.541 9.344 11.689 69 HA LYS 8 HA LYS 8 -1.206 8.436 9.431 70 1HB LYS 8 2HB LYS 8 0.694 8.158 11.090 71 2HB LYS 8 1HB LYS 8 -0.324 7.023 11.967 72 1HG LYS 8 2HG LYS 8 1.174 5.780 10.590 73 2HG LYS 8 1HG LYS 8 -0.451 5.644 9.901 74 1HD LYS 8 2HD LYS 8 0.120 7.502 8.354 75 2HD LYS 8 1HD LYS 8 1.770 7.455 8.976 76 1HE LYS 8 2HE LYS 8 1.702 6.216 6.946 77 2HE LYS 8 1HE LYS 8 1.884 5.078 8.279 78 1HZ LYS 8 1HZ LYS 8 -0.508 4.548 8.102 79 2HZ LYS 8 2HZ LYS 8 0.281 4.343 6.635 80 3HZ LYS 8 3HZ LYS 8 -0.668 5.700 6.884 81 H GLU 9 H GLU 9 -2.213 6.919 12.499 82 HA GLU 9 HA GLU 9 -3.874 5.085 11.072 83 1HB GLU 9 2HB GLU 9 -2.631 4.372 13.066 84 2HB GLU 9 1HB GLU 9 -3.531 5.512 14.047 85 1HG GLU 9 2HG GLU 9 -4.326 3.240 14.370 86 2HG GLU 9 1HG GLU 9 -5.579 4.249 13.657 87 H LYS 10 H LYS 10 -5.189 6.586 10.058 88 HA LYS 10 HA LYS 10 -7.242 7.954 11.576 89 1HB LYS 10 2HB LYS 10 -6.313 8.824 9.370 90 2HB LYS 10 1HB LYS 10 -7.020 7.437 8.576 91 1HG LYS 10 2HG LYS 10 -8.624 9.558 10.017 92 2HG LYS 10 1HG LYS 10 -8.261 9.596 8.297 93 1HD LYS 10 2HD LYS 10 -9.467 7.456 8.027 94 2HD LYS 10 1HD LYS 10 -9.844 7.466 9.747 95 1HE LYS 10 2HE LYS 10 -10.727 9.501 7.697 96 2HE LYS 10 1HE LYS 10 -11.733 8.258 8.436 97 1HZ LYS 10 1HZ LYS 10 -11.283 9.346 10.609 98 2HZ LYS 10 2HZ LYS 10 -12.157 10.282 9.525 99 3HZ LYS 10 3HZ LYS 10 -10.523 10.624 9.781 100 H LYS 11 H LYS 11 -7.080 5.392 9.146 101 HA LYS 11 HA LYS 11 -8.345 3.492 10.717 102 1HB LYS 11 2HB LYS 11 -10.408 4.819 10.104 103 2HB LYS 11 1HB LYS 11 -10.078 4.450 8.411 104 1HG LYS 11 2HG LYS 11 -10.305 2.078 8.858 105 2HG LYS 11 1HG LYS 11 -10.568 2.407 10.568 106 1HD LYS 11 2HD LYS 11 -12.593 3.691 9.948 107 2HD LYS 11 1HD LYS 11 -12.343 3.206 8.268 108 1HE LYS 11 2HE LYS 11 -13.958 1.735 9.317 109 2HE LYS 11 1HE LYS 11 -12.481 0.849 8.947 110 1HZ LYS 11 1HZ LYS 11 -11.824 1.155 11.315 111 2HZ LYS 11 2HZ LYS 11 -13.230 0.262 11.153 112 3HZ LYS 11 3HZ LYS 11 -13.312 1.870 11.621 113 H GLU 12 H GLU 12 -6.465 2.591 10.129 114 HA GLU 12 HA GLU 12 -6.466 1.236 7.546 115 1HB GLU 12 2HB GLU 12 -4.007 1.796 7.341 116 2HB GLU 12 1HB GLU 12 -5.108 3.138 7.049 117 1HG GLU 12 2HG GLU 12 -4.672 4.068 9.198 118 2HG GLU 12 1HG GLU 12 -3.763 2.642 9.687 119 H GLN 13 H GLN 13 -7.043 0.454 10.197 120 HA GLN 13 HA GLN 13 -4.693 -0.775 11.326 121 1HB GLN 13 2HB GLN 13 -6.509 0.131 12.761 122 2HB GLN 13 1HB GLN 13 -7.592 -1.096 12.125 123 1HG GLN 13 2HG GLN 13 -6.798 -1.706 14.331 124 2HG GLN 13 1HG GLN 13 -6.217 -2.845 13.121 125 1HE2 GLN 13 1HE2 GLN 13 -4.806 0.320 13.548 126 2HE2 GLN 13 2HE2 GLN 13 -3.315 -0.215 14.204 127 H GLU 14 H GLU 14 -7.084 -1.544 9.130 128 HA GLU 14 HA GLU 14 -7.245 -4.356 9.289 129 1HB GLU 14 2HB GLU 14 -7.308 -2.950 6.624 130 2HB GLU 14 1HB GLU 14 -8.161 -4.396 7.110 131 1HG GLU 14 2HG GLU 14 -9.816 -2.794 6.951 132 2HG GLU 14 1HG GLU 14 -9.461 -2.831 8.681 133 H ILE 15 H ILE 15 -4.708 -2.284 8.100 134 HA ILE 15 HA ILE 15 -3.635 -4.413 6.446 135 HB ILE 15 HB ILE 15 -2.106 -2.791 5.542 136 1HG1 ILE 15 2HG1 ILE 15 -2.758 -0.301 6.658 137 2HG1 ILE 15 1HG1 ILE 15 -2.607 -1.379 8.024 138 1HG2 ILE 15 1HG2 ILE 15 -4.340 -2.693 4.643 139 2HG2 ILE 15 2HG2 ILE 15 -3.620 -1.081 4.657 140 3HG2 ILE 15 3HG2 ILE 15 -4.812 -1.527 5.878 141 1HD1 ILE 15 1HD1 ILE 15 -0.500 -0.275 7.553 142 2HD1 ILE 15 2HD1 ILE 15 -0.500 -0.958 5.925 143 3HD1 ILE 15 3HD1 ILE 15 -0.374 -2.020 7.329 144 H LYS 16 H LYS 16 -3.435 -3.068 9.489 145 HA LYS 16 HA LYS 16 -0.713 -3.462 10.000 146 1HB LYS 16 2HB LYS 16 -2.948 -3.286 12.022 147 2HB LYS 16 1HB LYS 16 -1.238 -3.115 12.369 148 1HG LYS 16 2HG LYS 16 -3.042 -1.223 10.886 149 2HG LYS 16 1HG LYS 16 -2.119 -0.936 12.363 150 1HD LYS 16 2HD LYS 16 -0.070 -1.428 10.843 151 2HD LYS 16 1HD LYS 16 -1.190 -1.161 9.550 152 1HE LYS 16 2HE LYS 16 -0.585 0.868 11.694 153 2HE LYS 16 1HE LYS 16 -0.011 0.915 10.030 154 1HZ LYS 16 1HZ LYS 16 -1.825 2.284 9.942 155 2HZ LYS 16 2HZ LYS 16 -2.704 1.447 11.085 156 3HZ LYS 16 3HZ LYS 16 -2.579 0.835 9.525 157 H LYS 17 H LYS 17 -3.517 -5.217 10.953 158 HA LYS 17 HA LYS 17 -2.001 -7.419 12.036 159 1HB LYS 17 2HB LYS 17 -4.959 -7.198 11.477 160 2HB LYS 17 1HB LYS 17 -4.186 -8.436 12.455 161 1HG LYS 17 2HG LYS 17 -3.497 -6.747 14.075 162 2HG LYS 17 1HG LYS 17 -4.236 -5.487 13.084 163 1HD LYS 17 2HD LYS 17 -5.724 -6.090 14.907 164 2HD LYS 17 1HD LYS 17 -6.426 -6.582 13.368 165 1HE LYS 17 2HE LYS 17 -6.740 -8.334 15.001 166 2HE LYS 17 1HE LYS 17 -5.612 -8.876 13.760 167 1HZ LYS 17 1HZ LYS 17 -4.890 -7.868 16.456 168 2HZ LYS 17 2HZ LYS 17 -3.777 -8.394 15.280 169 3HZ LYS 17 3HZ LYS 17 -4.853 -9.481 15.969 170 H LYS 18 H LYS 18 -2.475 -6.529 8.983 171 HA LYS 18 HA LYS 18 -3.118 -9.192 7.949 172 1HB LYS 18 2HB LYS 18 -4.172 -6.969 7.115 173 2HB LYS 18 1HB LYS 18 -2.661 -6.784 6.244 174 1HG LYS 18 2HG LYS 18 -4.077 -7.772 4.689 175 2HG LYS 18 1HG LYS 18 -3.116 -9.121 5.304 176 1HD LYS 18 2HD LYS 18 -5.440 -9.790 5.166 177 2HD LYS 18 1HD LYS 18 -4.973 -9.663 6.865 178 1HE LYS 18 2HE LYS 18 -6.004 -7.456 7.008 179 2HE LYS 18 1HE LYS 18 -6.420 -7.524 5.301 180 1HZ LYS 18 1HZ LYS 18 -7.888 -9.380 5.767 181 2HZ LYS 18 2HZ LYS 18 -8.298 -8.033 6.677 182 3HZ LYS 18 3HZ LYS 18 -7.518 -9.333 7.418 183 H PHE 19 H PHE 19 -0.695 -6.561 7.429 184 HA PHE 19 HA PHE 19 1.008 -8.539 6.146 185 1HB PHE 19 2HB PHE 19 0.715 -6.178 5.188 186 2HB PHE 19 1HB PHE 19 1.671 -5.601 6.550 187 HD1 PHE 19 1HD PHE 19 1.782 -7.482 3.413 188 HD2 PHE 19 2HD PHE 19 4.007 -5.988 6.699 189 HE1 PHE 19 1HE PHE 19 3.881 -7.839 2.166 190 HE2 PHE 19 2HE PHE 19 6.085 -6.340 5.464 191 HZ PHE 19 HZ PHE 19 6.066 -7.224 3.223 192 H LYS 20 H LYS 20 0.632 -6.851 9.137 193 HA LYS 20 HA LYS 20 1.632 -6.951 11.128 194 1HB LYS 20 2HB LYS 20 2.094 -9.348 10.921 195 2HB LYS 20 1HB LYS 20 3.455 -9.026 9.864 196 1HG LYS 20 2HG LYS 20 4.293 -7.674 11.986 197 2HG LYS 20 1HG LYS 20 3.246 -8.837 12.808 198 1HD LYS 20 2HD LYS 20 4.420 -10.677 11.757 199 2HD LYS 20 1HD LYS 20 5.427 -9.547 10.849 200 1HE LYS 20 2HE LYS 20 6.197 -8.641 13.063 201 2HE LYS 20 1HE LYS 20 5.370 -10.000 13.822 202 1HZ LYS 20 1HZ LYS 20 6.757 -11.477 12.413 203 2HZ LYS 20 2HZ LYS 20 7.608 -10.591 13.551 204 3HZ LYS 20 3HZ LYS 20 7.654 -10.112 11.929 205 H LEU 21 H LEU 21 2.168 -4.852 11.017 206 HA LEU 21 HA LEU 21 4.870 -4.358 10.060 207 1HB LEU 21 2HB LEU 21 2.881 -2.188 10.787 208 2HB LEU 21 1HB LEU 21 4.407 -2.047 10.013 209 HG LEU 21 HG LEU 21 2.949 -1.792 8.226 210 1HD1 LEU 21 1HD1 LEU 21 3.832 -4.628 8.260 211 2HD1 LEU 21 2HD1 LEU 21 4.777 -3.242 7.706 212 3HD1 LEU 21 3HD1 LEU 21 3.316 -3.756 6.826 213 1HD2 LEU 21 1HD2 LEU 21 1.136 -3.320 7.623 214 2HD2 LEU 21 2HD2 LEU 21 0.831 -2.636 9.212 215 3HD2 LEU 21 3HD2 LEU 21 1.438 -4.290 9.050 216 H THR 22 H THR 22 2.791 -3.975 12.771 217 HA THR 22 HA THR 22 3.013 -3.760 14.940 218 HB THR 22 HB THR 22 4.979 -4.656 16.145 219 HG1 THR 22 1HG THR 22 6.146 -4.306 13.685 220 1HG2 THR 22 1HG2 THR 22 4.130 -6.339 13.794 221 2HG2 THR 22 2HG2 THR 22 3.290 -6.206 15.338 222 3HG2 THR 22 3HG2 THR 22 4.892 -6.950 15.265 223 H GLY 23 H GLY 23 3.898 -1.589 13.072 224 1HA GLY 23 2HA GLY 23 4.204 0.432 14.869 225 2HA GLY 23 1HA GLY 23 5.834 -0.052 14.405 226 HA PRO 24 HA PRO 24 3.919 2.687 11.129 227 1HB PRO 24 2HB PRO 24 5.794 4.778 11.883 228 2HB PRO 24 1HB PRO 24 4.032 4.851 11.804 229 1HG PRO 24 2HG PRO 24 5.426 4.934 14.142 230 2HG PRO 24 1HG PRO 24 3.779 4.294 14.005 231 1HD PRO 24 2HD PRO 24 6.378 2.827 14.140 232 2HD PRO 24 1HD PRO 24 4.821 2.439 14.903 233 H ILE 25 H ILE 25 4.961 1.235 9.810 234 HA ILE 25 HA ILE 25 7.766 1.443 9.295 235 HB ILE 25 HB ILE 25 5.577 -0.037 7.787 236 1HG1 ILE 25 2HG1 ILE 25 5.931 -0.915 10.030 237 2HG1 ILE 25 1HG1 ILE 25 6.546 -2.048 8.832 238 1HG2 ILE 25 1HG2 ILE 25 7.438 0.470 6.300 239 2HG2 ILE 25 2HG2 ILE 25 7.374 -1.255 6.661 240 3HG2 ILE 25 3HG2 ILE 25 8.566 -0.227 7.462 241 1HD1 ILE 25 1HD1 ILE 25 8.051 -1.864 10.746 242 2HD1 ILE 25 2HD1 ILE 25 8.208 -0.127 10.451 243 3HD1 ILE 25 3HD1 ILE 25 8.819 -1.275 9.267 244 H GLN 26 H GLN 26 8.719 2.618 7.808 245 HA GLN 26 HA GLN 26 6.993 4.544 6.412 246 1HB GLN 26 2HB GLN 26 8.826 6.084 6.464 247 2HB GLN 26 1HB GLN 26 8.580 5.451 8.088 248 1HG GLN 26 2HG GLN 26 10.433 3.831 7.628 249 2HG GLN 26 1HG GLN 26 10.683 4.718 6.112 250 1HE2 GLN 26 1HE2 GLN 26 12.774 5.231 6.793 251 2HE2 GLN 26 2HE2 GLN 26 13.059 6.479 7.955 252 H VAL 27 H VAL 27 8.251 5.505 4.481 253 HA VAL 27 HA VAL 27 8.300 3.531 2.511 254 HB VAL 27 HB VAL 27 9.101 6.412 2.525 255 1HG1 VAL 27 1HG1 VAL 27 9.036 4.589 0.136 256 2HG1 VAL 27 2HG1 VAL 27 10.468 5.331 0.860 257 3HG1 VAL 27 3HG1 VAL 27 9.247 6.353 0.089 258 1HG2 VAL 27 1HG2 VAL 27 7.105 6.660 1.141 259 2HG2 VAL 27 2HG2 VAL 27 6.747 5.927 2.720 260 3HG2 VAL 27 3HG2 VAL 27 6.838 4.922 1.268 261 H ILE 28 H ILE 28 9.761 2.463 1.679 262 HA ILE 28 HA ILE 28 12.577 2.711 2.473 263 HB ILE 28 HB ILE 28 11.075 0.438 1.139 264 1HG1 ILE 28 2HG1 ILE 28 10.557 0.663 3.510 265 2HG1 ILE 28 1HG1 ILE 28 11.488 -0.799 3.212 266 1HG2 ILE 28 1HG2 ILE 28 13.982 0.523 1.935 267 2HG2 ILE 28 2HG2 ILE 28 13.345 0.474 0.292 268 3HG2 ILE 28 3HG2 ILE 28 13.114 -0.903 1.368 269 1HD1 ILE 28 1HD1 ILE 28 12.555 1.785 4.334 270 2HD1 ILE 28 2HD1 ILE 28 13.495 0.321 4.043 271 3HD1 ILE 28 3HD1 ILE 28 12.206 0.316 5.247 272 H HIS 29 H HIS 29 10.316 2.749 -0.256 273 HA HIS 29 HA HIS 29 12.088 4.090 -2.031 274 1HB HIS 29 2HB HIS 29 11.523 1.172 -2.546 275 2HB HIS 29 1HB HIS 29 11.882 2.268 -3.849 276 HD1 HIS 29 1HD HIS 29 13.335 -0.274 -1.985 277 HD2 HIS 29 2HD HIS 29 14.677 3.497 -3.077 278 HE1 HIS 29 1HE HIS 29 15.833 -0.359 -1.773 279 HE2 HIS 29 2HE HIS 29 16.582 1.784 -2.818 280 H LEU 30 H LEU 30 11.006 3.885 -4.292 281 HA LEU 30 HA LEU 30 8.124 3.761 -3.939 282 1HB LEU 30 2HB LEU 30 9.728 5.169 -6.119 283 2HB LEU 30 1HB LEU 30 7.987 5.062 -6.032 284 HG LEU 30 HG LEU 30 8.578 7.251 -5.448 285 1HD1 LEU 30 1HD1 LEU 30 7.744 7.509 -3.179 286 2HD1 LEU 30 2HD1 LEU 30 7.918 5.772 -2.929 287 3HD1 LEU 30 3HD1 LEU 30 6.788 6.380 -4.139 288 1HD2 LEU 30 1HD2 LEU 30 10.492 6.125 -3.410 289 2HD2 LEU 30 2HD2 LEU 30 10.113 7.837 -3.630 290 3HD2 LEU 30 3HD2 LEU 30 10.920 6.938 -4.917 291 H ALA 31 H ALA 31 7.198 2.378 -5.210 292 HA ALA 31 HA ALA 31 8.923 0.806 -7.021 293 1HB ALA 31 1HB ALA 31 6.391 -0.197 -5.703 294 2HB ALA 31 2HB ALA 31 8.054 -0.635 -5.241 295 3HB ALA 31 3HB ALA 31 7.422 -1.087 -6.816 296 H LYS 32 H LYS 32 7.923 -0.010 -8.932 297 HA LYS 32 HA LYS 32 5.908 1.873 -9.882 298 1HB LYS 32 2HB LYS 32 8.026 1.959 -11.128 299 2HB LYS 32 1HB LYS 32 7.927 0.229 -11.423 300 1HG LYS 32 2HG LYS 32 5.907 0.557 -12.751 301 2HG LYS 32 1HG LYS 32 5.974 2.289 -12.432 302 1HD LYS 32 2HD LYS 32 6.872 1.749 -14.640 303 2HD LYS 32 1HD LYS 32 8.113 2.430 -13.589 304 1HE LYS 32 2HE LYS 32 8.970 0.197 -13.134 305 2HE LYS 32 1HE LYS 32 7.709 -0.504 -14.148 306 1HZ LYS 32 1HZ LYS 32 8.629 0.601 -16.051 307 2HZ LYS 32 2HZ LYS 32 9.823 -0.317 -15.285 308 3HZ LYS 32 3HZ LYS 32 9.790 1.381 -15.072 309 H ALA 33 H ALA 33 3.945 1.014 -10.304 310 HA ALA 33 HA ALA 33 3.384 -1.689 -9.918 311 1HB ALA 33 1HB ALA 33 1.701 0.075 -9.764 312 2HB ALA 33 2HB ALA 33 1.253 -1.125 -10.971 313 3HB ALA 33 3HB ALA 33 1.911 0.422 -11.480 314 H CYS 34 H CYS 34 4.129 -3.181 -11.121 315 HA CYS 34 HA CYS 34 5.074 -2.740 -13.824 316 1HB CYS 34 2HB CYS 34 6.277 -4.160 -12.162 317 2HB CYS 34 1HB CYS 34 4.946 -5.304 -12.222 318 HG CYS 34 HG CYS 34 7.438 -4.757 -14.358 319 H CYS 35 H CYS 35 2.241 -3.835 -12.272 320 HA CYS 35 HA CYS 35 1.077 -4.505 -14.863 321 1HB CYS 35 2HB CYS 35 0.713 -6.134 -12.333 322 2HB CYS 35 1HB CYS 35 -0.059 -6.436 -13.885 323 HG CYS 35 HG CYS 35 3.113 -6.324 -14.415 324 H ASP 36 H ASP 36 -1.228 -4.162 -14.841 325 HA ASP 36 HA ASP 36 -2.028 -2.445 -12.632 326 1HB ASP 36 2HB ASP 36 -3.640 -1.413 -13.990 327 2HB ASP 36 1HB ASP 36 -2.387 -1.779 -15.153 328 H VAL 37 H VAL 37 -2.832 -3.416 -11.072 329 HA VAL 37 HA VAL 37 -4.454 -5.826 -11.534 330 HB VAL 37 HB VAL 37 -2.255 -6.177 -10.352 331 1HG1 VAL 37 1HG1 VAL 37 -2.039 -5.541 -8.031 332 2HG1 VAL 37 2HG1 VAL 37 -3.520 -4.589 -8.179 333 3HG1 VAL 37 3HG1 VAL 37 -2.100 -4.170 -9.132 334 1HG2 VAL 37 1HG2 VAL 37 -3.068 -7.571 -8.543 335 2HG2 VAL 37 2HG2 VAL 37 -3.997 -7.804 -10.027 336 3HG2 VAL 37 3HG2 VAL 37 -4.666 -6.839 -8.696 337 H LYS 38 H LYS 38 -6.429 -5.989 -10.348 338 HA LYS 38 HA LYS 38 -7.329 -3.376 -9.447 339 1HB LYS 38 2HB LYS 38 -9.652 -4.357 -9.441 340 2HB LYS 38 1HB LYS 38 -8.886 -4.242 -11.010 341 1HG LYS 38 2HG LYS 38 -8.803 -6.812 -9.478 342 2HG LYS 38 1HG LYS 38 -10.257 -6.348 -10.365 343 1HD LYS 38 2HD LYS 38 -7.485 -6.597 -11.552 344 2HD LYS 38 1HD LYS 38 -8.767 -7.801 -11.696 345 1HE LYS 38 2HE LYS 38 -10.178 -6.156 -12.854 346 2HE LYS 38 1HE LYS 38 -8.896 -4.954 -12.705 347 1HZ LYS 38 1HZ LYS 38 -8.858 -5.921 -14.879 348 2HZ LYS 38 2HZ LYS 38 -8.771 -7.488 -14.245 349 3HZ LYS 38 3HZ LYS 38 -7.475 -6.423 -14.052 350 H GLY 39 H GLY 39 -5.721 -5.458 -7.959 351 1HA GLY 39 2HA GLY 39 -5.376 -5.645 -5.676 352 2HA GLY 39 1HA GLY 39 -6.852 -4.722 -5.420 353 H GLY 40 H GLY 40 -6.211 -7.744 -7.077 354 1HA GLY 40 2HA GLY 40 -8.462 -8.894 -5.625 355 2HA GLY 40 1HA GLY 40 -7.742 -9.527 -7.109 356 H LYS 41 H LYS 41 -8.228 -10.867 -4.619 357 HA LYS 41 HA LYS 41 -7.272 -12.418 -3.294 358 1HB LYS 41 2HB LYS 41 -6.030 -12.960 -5.469 359 2HB LYS 41 1HB LYS 41 -4.710 -11.974 -4.877 360 1HG LYS 41 2HG LYS 41 -4.224 -13.508 -3.142 361 2HG LYS 41 1HG LYS 41 -5.741 -14.379 -3.395 362 1HD LYS 41 2HD LYS 41 -3.976 -15.672 -4.365 363 2HD LYS 41 1HD LYS 41 -4.938 -14.988 -5.668 364 1HE LYS 41 2HE LYS 41 -2.641 -14.795 -6.281 365 2HE LYS 41 1HE LYS 41 -3.210 -13.180 -5.863 366 1HZ LYS 41 1HZ LYS 41 -1.778 -14.951 -3.969 367 2HZ LYS 41 2HZ LYS 41 -2.111 -13.302 -3.777 368 3HZ LYS 41 3HZ LYS 41 -0.993 -13.812 -4.918 369 H ASN 42 H ASN 42 -7.387 -9.690 -2.706 370 HA ASN 42 HA ASN 42 -6.995 -8.264 -0.991 371 1HB ASN 42 2HB ASN 42 -6.644 -10.614 0.206 372 2HB ASN 42 1HB ASN 42 -4.964 -10.113 0.238 373 1HD2 ASN 42 1HD2 ASN 42 -6.081 -7.194 0.591 374 2HD2 ASN 42 2HD2 ASN 42 -6.468 -7.155 2.253 375 H GLU 43 H GLU 43 -5.681 -7.820 -3.278 376 HA GLU 43 HA GLU 43 -2.895 -7.122 -2.626 377 1HB GLU 43 2HB GLU 43 -4.168 -8.103 -4.969 378 2HB GLU 43 1HB GLU 43 -3.672 -6.456 -5.314 379 1HG GLU 43 2HG GLU 43 -1.882 -7.797 -6.028 380 2HG GLU 43 1HG GLU 43 -1.387 -7.120 -4.488 381 H LEU 44 H LEU 44 -2.371 -4.903 -3.969 382 HA LEU 44 HA LEU 44 -4.262 -2.856 -3.061 383 1HB LEU 44 2HB LEU 44 -1.557 -2.926 -3.081 384 2HB LEU 44 1HB LEU 44 -1.826 -2.289 -4.679 385 HG LEU 44 HG LEU 44 -2.773 -0.957 -2.129 386 1HD1 LEU 44 1HD1 LEU 44 -0.542 -0.368 -3.965 387 2HD1 LEU 44 2HD1 LEU 44 -0.461 -1.005 -2.290 388 3HD1 LEU 44 3HD1 LEU 44 -1.092 0.637 -2.605 389 1HD2 LEU 44 1HD2 LEU 44 -4.154 -0.318 -4.050 390 2HD2 LEU 44 2HD2 LEU 44 -2.676 0.140 -4.923 391 3HD2 LEU 44 3HD2 LEU 44 -3.145 1.005 -3.461 392 H SER 45 H SER 45 -5.281 -1.469 -4.573 393 HA SER 45 HA SER 45 -5.347 -2.607 -7.195 394 1HB SER 45 2HB SER 45 -7.173 -0.447 -6.116 395 2HB SER 45 1HB SER 45 -7.450 -1.476 -7.515 396 HG SER 45 HG SER 45 -8.078 -3.061 -6.290 397 H PHE 46 H PHE 46 -4.151 -1.724 -8.750 398 HA PHE 46 HA PHE 46 -3.740 1.117 -8.896 399 1HB PHE 46 2HB PHE 46 -1.175 0.788 -9.071 400 2HB PHE 46 1HB PHE 46 -1.891 0.710 -7.458 401 HD1 PHE 46 1HD PHE 46 -0.610 -1.312 -10.275 402 HD2 PHE 46 2HD PHE 46 -1.578 -1.179 -6.155 403 HE1 PHE 46 1HE PHE 46 0.525 -3.461 -9.947 404 HE2 PHE 46 2HE PHE 46 -0.453 -3.319 -5.817 405 HZ PHE 46 HZ PHE 46 0.594 -4.478 -7.718 406 H LYS 47 H LYS 47 -2.044 1.466 -10.764 407 HA LYS 47 HA LYS 47 -2.784 -0.291 -12.971 408 1HB LYS 47 2HB LYS 47 -2.725 2.735 -12.887 409 2HB LYS 47 1HB LYS 47 -2.759 1.810 -14.381 410 1HG LYS 47 2HG LYS 47 -4.825 1.564 -12.237 411 2HG LYS 47 1HG LYS 47 -4.980 2.682 -13.607 412 1HD LYS 47 2HD LYS 47 -4.890 0.823 -15.150 413 2HD LYS 47 1HD LYS 47 -4.569 -0.297 -13.829 414 1HE LYS 47 2HE LYS 47 -6.763 0.121 -12.909 415 2HE LYS 47 1HE LYS 47 -7.072 1.340 -14.147 416 1HZ LYS 47 1HZ LYS 47 -7.035 -0.283 -15.813 417 2HZ LYS 47 2HZ LYS 47 -8.077 -0.860 -14.626 418 3HZ LYS 47 3HZ LYS 47 -6.499 -1.505 -14.783 419 H GLN 48 H GLN 48 -1.202 -0.452 -14.505 420 HA GLN 48 HA GLN 48 1.435 -0.565 -13.601 421 1HB GLN 48 2HB GLN 48 0.357 -1.790 -15.584 422 2HB GLN 48 1HB GLN 48 0.602 -0.321 -16.508 423 1HG GLN 48 2HG GLN 48 2.937 -1.604 -15.169 424 2HG GLN 48 1HG GLN 48 2.274 -2.339 -16.612 425 1HE2 GLN 48 1HE2 GLN 48 4.145 -2.012 -17.694 426 2HE2 GLN 48 2HE2 GLN 48 4.672 -0.492 -18.288 427 H GLY 49 H GLY 49 2.885 0.904 -13.319 428 1HA GLY 49 2HA GLY 49 4.105 2.877 -13.548 429 2HA GLY 49 1HA GLY 49 3.021 3.347 -14.845 430 H GLU 50 H GLU 50 1.577 2.488 -11.772 431 HA GLU 50 HA GLU 50 0.601 5.172 -11.454 432 1HB GLU 50 2HB GLU 50 0.109 2.598 -10.139 433 2HB GLU 50 1HB GLU 50 -0.163 4.006 -9.134 434 1HG GLU 50 2HG GLU 50 -1.411 3.417 -11.803 435 2HG GLU 50 1HG GLU 50 -2.199 3.319 -10.228 436 H GLN 51 H GLN 51 3.128 3.403 -10.125 437 HA GLN 51 HA GLN 51 4.833 3.863 -8.800 438 1HB GLN 51 2HB GLN 51 5.066 6.110 -9.811 439 2HB GLN 51 1HB GLN 51 3.900 6.752 -8.661 440 1HG GLN 51 2HG GLN 51 5.380 6.324 -6.818 441 2HG GLN 51 1HG GLN 51 6.508 5.471 -7.867 442 1HE2 GLN 51 1HE2 GLN 51 5.299 8.565 -6.875 443 2HE2 GLN 51 2HE2 GLN 51 6.557 9.488 -7.621 444 H ILE 52 H ILE 52 4.809 2.884 -7.240 445 HA ILE 52 HA ILE 52 2.736 2.950 -5.178 446 HB ILE 52 HB ILE 52 4.867 0.921 -5.924 447 1HG1 ILE 52 2HG1 ILE 52 3.149 1.534 -7.703 448 2HG1 ILE 52 1HG1 ILE 52 3.340 -0.169 -7.452 449 1HG2 ILE 52 1HG2 ILE 52 3.486 -0.698 -4.696 450 2HG2 ILE 52 2HG2 ILE 52 2.372 0.596 -4.255 451 3HG2 ILE 52 3HG2 ILE 52 4.032 0.625 -3.663 452 1HD1 ILE 52 1HD1 ILE 52 1.169 1.642 -6.440 453 2HD1 ILE 52 2HD1 ILE 52 1.356 -0.062 -5.985 454 3HD1 ILE 52 3HD1 ILE 52 1.054 0.366 -7.670 455 H GLU 53 H GLU 53 3.654 2.928 -3.007 456 HA GLU 53 HA GLU 53 6.527 3.547 -2.895 457 1HB GLU 53 2HB GLU 53 4.818 3.851 -0.471 458 2HB GLU 53 1HB GLU 53 6.252 4.627 -1.063 459 1HG GLU 53 2HG GLU 53 5.241 6.168 -2.357 460 2HG GLU 53 1HG GLU 53 3.785 5.205 -2.594 461 H ILE 54 H ILE 54 7.746 2.071 -1.840 462 HA ILE 54 HA ILE 54 6.271 -0.218 -0.801 463 HB ILE 54 HB ILE 54 7.872 -0.876 -2.541 464 1HG1 ILE 54 2HG1 ILE 54 9.321 -2.466 -1.246 465 2HG1 ILE 54 1HG1 ILE 54 8.717 -1.709 0.222 466 1HG2 ILE 54 1HG2 ILE 54 9.407 0.932 -2.431 467 2HG2 ILE 54 2HG2 ILE 54 10.249 -0.616 -2.312 468 3HG2 ILE 54 3HG2 ILE 54 9.998 0.373 -0.869 469 1HD1 ILE 54 1HD1 ILE 54 7.063 -3.118 -1.827 470 2HD1 ILE 54 2HD1 ILE 54 6.475 -2.343 -0.345 471 3HD1 ILE 54 3HD1 ILE 54 7.557 -3.731 -0.248 472 H ILE 55 H ILE 55 6.103 -0.436 1.227 473 HA ILE 55 HA ILE 55 7.927 1.081 2.890 474 HB ILE 55 HB ILE 55 6.125 0.864 4.724 475 1HG1 ILE 55 2HG1 ILE 55 4.746 -0.757 3.210 476 2HG1 ILE 55 1HG1 ILE 55 3.861 0.429 4.153 477 1HG2 ILE 55 1HG2 ILE 55 4.990 2.890 3.939 478 2HG2 ILE 55 2HG2 ILE 55 5.697 2.640 2.341 479 3HG2 ILE 55 3HG2 ILE 55 6.741 2.954 3.729 480 1HD1 ILE 55 1HD1 ILE 55 4.567 0.571 1.228 481 2HD1 ILE 55 2HD1 ILE 55 3.723 1.833 2.122 482 3HD1 ILE 55 3HD1 ILE 55 2.972 0.245 1.912 483 H ARG 56 H ARG 56 6.201 -2.082 2.991 484 HA ARG 56 HA ARG 56 8.598 -2.885 4.427 485 1HB ARG 56 2HB ARG 56 6.483 -2.928 6.008 486 2HB ARG 56 1HB ARG 56 5.941 -4.213 4.967 487 1HG ARG 56 2HG ARG 56 7.533 -5.645 5.490 488 2HG ARG 56 1HG ARG 56 8.672 -4.452 6.139 489 1HD ARG 56 2HD ARG 56 6.957 -4.190 8.014 490 2HD ARG 56 1HD ARG 56 6.200 -5.669 7.390 491 HE ARG 56 HE ARG 56 8.885 -6.194 7.630 492 1HH1 ARG 56 1HH1 ARG 56 6.124 -5.919 9.792 493 2HH1 ARG 56 2HH1 ARG 56 7.006 -6.333 11.188 494 1HH2 ARG 56 1HH2 ARG 56 10.088 -6.718 9.549 495 2HH2 ARG 56 2HH2 ARG 56 9.296 -6.805 11.058 496 H ILE 57 H ILE 57 9.537 -4.744 3.882 497 HA ILE 57 HA ILE 57 8.460 -6.064 1.502 498 HB ILE 57 HB ILE 57 10.986 -6.483 0.946 499 1HG1 ILE 57 2HG1 ILE 57 11.839 -5.256 2.989 500 2HG1 ILE 57 1HG1 ILE 57 12.559 -4.753 1.464 501 1HG2 ILE 57 1HG2 ILE 57 9.516 -5.431 -0.573 502 2HG2 ILE 57 2HG2 ILE 57 11.051 -4.559 -0.545 503 3HG2 ILE 57 3HG2 ILE 57 9.645 -3.899 0.289 504 1HD1 ILE 57 1HD1 ILE 57 12.049 -2.813 2.889 505 2HD1 ILE 57 2HD1 ILE 57 10.362 -3.352 2.939 506 3HD1 ILE 57 3HD1 ILE 57 11.040 -2.816 1.420 507 H THR 58 H THR 58 10.508 -6.390 4.375 508 HA THR 58 HA THR 58 10.262 -9.246 3.952 509 HB THR 58 HB THR 58 12.466 -9.425 5.184 510 HG1 THR 58 1HG THR 58 13.069 -7.620 5.986 511 1HG2 THR 58 1HG2 THR 58 13.778 -8.937 3.166 512 2HG2 THR 58 2HG2 THR 58 12.428 -8.003 2.520 513 3HG2 THR 58 3HG2 THR 58 12.258 -9.741 2.765 514 H ASP 59 H ASP 59 10.391 -10.555 5.849 515 HA ASP 59 HA ASP 59 9.618 -11.321 7.686 516 1HB ASP 59 2HB ASP 59 11.050 -9.798 8.990 517 2HB ASP 59 1HB ASP 59 9.802 -8.555 8.929 518 H ASN 60 H ASN 60 7.979 -11.614 6.264 519 HA ASN 60 HA ASN 60 5.514 -10.989 7.629 520 1HB ASN 60 2HB ASN 60 4.289 -10.319 5.651 521 2HB ASN 60 1HB ASN 60 5.713 -9.295 5.721 522 1HD2 ASN 60 1HD2 ASN 60 7.345 -9.611 4.186 523 2HD2 ASN 60 2HD2 ASN 60 7.053 -10.454 2.711 524 HA PRO 61 HA PRO 61 5.292 -15.286 6.872 525 1HB PRO 61 2HB PRO 61 2.433 -15.297 7.327 526 2HB PRO 61 1HB PRO 61 3.731 -15.820 8.403 527 1HG PRO 61 2HG PRO 61 2.198 -13.619 8.887 528 2HG PRO 61 1HG PRO 61 3.879 -13.776 9.433 529 1HD PRO 61 2HD PRO 61 2.789 -12.336 7.040 530 2HD PRO 61 1HD PRO 61 4.022 -11.802 8.207 531 H GLU 62 H GLU 62 4.314 -13.327 4.519 532 HA GLU 62 HA GLU 62 2.750 -15.390 3.097 533 1HB GLU 62 2HB GLU 62 1.865 -12.967 3.503 534 2HB GLU 62 1HB GLU 62 2.988 -12.516 2.237 535 1HG GLU 62 2HG GLU 62 0.625 -14.366 2.004 536 2HG GLU 62 1HG GLU 62 0.777 -12.751 1.335 537 H GLY 63 H GLY 63 5.031 -12.753 2.365 538 1HA GLY 63 2HA GLY 63 7.156 -13.413 1.258 539 2HA GLY 63 1HA GLY 63 6.158 -14.421 0.207 540 H LYS 64 H LYS 64 4.223 -11.989 0.743 541 HA LYS 64 HA LYS 64 4.957 -10.566 -1.651 542 1HB LYS 64 2HB LYS 64 2.767 -9.617 -1.613 543 2HB LYS 64 1HB LYS 64 2.616 -11.334 -1.284 544 1HG LYS 64 2HG LYS 64 2.408 -10.788 1.128 545 2HG LYS 64 1HG LYS 64 2.559 -9.109 0.639 546 1HD LYS 64 2HD LYS 64 0.189 -9.813 1.064 547 2HD LYS 64 1HD LYS 64 0.503 -9.075 -0.495 548 1HE LYS 64 2HE LYS 64 0.463 -12.058 -0.166 549 2HE LYS 64 1HE LYS 64 -1.030 -11.150 -0.341 550 1HZ LYS 64 1HZ LYS 64 -0.252 -10.345 -2.490 551 2HZ LYS 64 2HZ LYS 64 -0.289 -12.021 -2.407 552 3HZ LYS 64 3HZ LYS 64 1.192 -11.247 -2.335 553 H TRP 65 H TRP 65 4.552 -8.201 -1.592 554 HA TRP 65 HA TRP 65 6.163 -7.018 0.569 555 1HB TRP 65 2HB TRP 65 5.602 -6.246 -2.260 556 2HB TRP 65 1HB TRP 65 6.297 -5.092 -1.150 557 HD1 TRP 65 HD TRP 65 7.998 -7.866 0.086 558 HE1 TRP 65 1HE TRP 65 10.183 -8.405 -1.146 559 HE3 TRP 65 3HE TRP 65 7.175 -5.224 -4.210 560 HZ2 TRP 65 2HZ TRP 65 11.404 -7.766 -3.602 561 HZ3 TRP 65 3HZ TRP 65 8.910 -5.235 -5.946 562 HH2 TRP 65 HH TRP 65 10.979 -6.486 -5.648 563 H LEU 66 H LEU 66 5.581 -4.697 1.037 564 HA LEU 66 HA LEU 66 2.660 -4.418 1.123 565 1HB LEU 66 2HB LEU 66 3.737 -4.639 3.335 566 2HB LEU 66 1HB LEU 66 4.750 -3.258 2.964 567 HG LEU 66 HG LEU 66 2.704 -1.860 2.795 568 1HD1 LEU 66 1HD1 LEU 66 0.653 -2.714 3.740 569 2HD1 LEU 66 2HD1 LEU 66 1.408 -4.306 3.891 570 3HD1 LEU 66 3HD1 LEU 66 1.140 -3.609 2.288 571 1HD2 LEU 66 1HD2 LEU 66 3.094 -3.285 5.406 572 2HD2 LEU 66 2HD2 LEU 66 2.299 -1.728 5.175 573 3HD2 LEU 66 3HD2 LEU 66 4.020 -1.902 4.826 574 H GLY 67 H GLY 67 2.061 -3.020 -0.404 575 1HA GLY 67 2HA GLY 67 3.837 -0.747 -0.851 576 2HA GLY 67 1HA GLY 67 2.868 -1.494 -2.125 577 H ARG 68 H ARG 68 2.859 1.209 -1.360 578 HA ARG 68 HA ARG 68 0.010 1.493 -0.743 579 1HB ARG 68 2HB ARG 68 1.179 1.969 1.320 580 2HB ARG 68 1HB ARG 68 2.251 3.131 0.531 581 1HG ARG 68 2HG ARG 68 0.150 4.480 0.066 582 2HG ARG 68 1HG ARG 68 -0.730 3.391 1.122 583 1HD ARG 68 2HD ARG 68 -0.128 5.286 2.362 584 2HD ARG 68 1HD ARG 68 0.856 3.941 2.919 585 HE ARG 68 HE ARG 68 2.175 5.452 0.901 586 1HH1 ARG 68 1HH1 ARG 68 1.199 5.707 4.282 587 2HH1 ARG 68 2HH1 ARG 68 2.606 6.585 4.746 588 1HH2 ARG 68 1HH2 ARG 68 4.053 6.652 1.537 589 2HH2 ARG 68 2HH2 ARG 68 4.280 7.062 3.185 590 H THR 69 H THR 69 -0.844 3.331 -1.548 591 HA THR 69 HA THR 69 0.663 4.648 -3.719 592 HB THR 69 HB THR 69 -2.362 4.529 -3.375 593 HG1 THR 69 1HG THR 69 -0.584 2.581 -4.010 594 1HG2 THR 69 1HG2 THR 69 -2.357 4.859 -5.803 595 2HG2 THR 69 2HG2 THR 69 -0.593 4.824 -5.816 596 3HG2 THR 69 3HG2 THR 69 -1.446 6.145 -5.014 597 H ALA 70 H ALA 70 0.210 7.091 -3.763 598 HA ALA 70 HA ALA 70 0.707 8.251 -1.302 599 1HB ALA 70 1HB ALA 70 -0.510 9.623 -3.693 600 2HB ALA 70 2HB ALA 70 1.209 9.310 -3.455 601 3HB ALA 70 3HB ALA 70 0.352 10.401 -2.367 602 H ARG 71 H ARG 71 -2.332 7.712 -2.797 603 HA ARG 71 HA ARG 71 -3.973 9.204 -1.026 604 1HB ARG 71 2HB ARG 71 -5.826 7.770 -1.957 605 2HB ARG 71 1HB ARG 71 -4.828 8.646 -3.119 606 1HG ARG 71 2HG ARG 71 -3.624 6.672 -3.700 607 2HG ARG 71 1HG ARG 71 -4.442 5.751 -2.438 608 1HD ARG 71 2HD ARG 71 -6.465 5.775 -3.564 609 2HD ARG 71 1HD ARG 71 -5.985 7.111 -4.618 610 HE ARG 71 HE ARG 71 -4.703 5.674 -5.869 611 1HH1 ARG 71 1HH1 ARG 71 -6.550 3.929 -3.410 612 2HH1 ARG 71 2HH1 ARG 71 -6.313 2.386 -4.078 613 1HH2 ARG 71 1HH2 ARG 71 -4.424 3.589 -6.859 614 2HH2 ARG 71 2HH2 ARG 71 -5.037 2.178 -6.143 615 H GLY 72 H GLY 72 -2.166 6.537 -0.286 616 1HA GLY 72 2HA GLY 72 -2.000 5.255 1.550 617 2HA GLY 72 1HA GLY 72 -3.296 6.120 2.315 618 H SER 73 H SER 73 -2.355 3.372 0.467 619 HA SER 73 HA SER 73 -4.738 1.993 0.927 620 1HB SER 73 2HB SER 73 -3.545 2.266 -1.790 621 2HB SER 73 1HB SER 73 -5.039 1.454 -1.396 622 HG SER 73 HG SER 73 -5.964 3.517 -0.856 623 H TYR 74 H TYR 74 -3.824 0.288 1.551 624 HA TYR 74 HA TYR 74 -1.012 -0.257 0.924 625 1HB TYR 74 2HB TYR 74 -2.699 -0.511 3.197 626 2HB TYR 74 1HB TYR 74 -1.284 -1.586 3.174 627 HD1 TYR 74 1HD TYR 74 0.954 -0.486 3.422 628 HD2 TYR 74 2HD TYR 74 -2.646 1.734 3.805 629 HE1 TYR 74 1HE TYR 74 2.187 1.289 4.580 630 HE2 TYR 74 2HE TYR 74 -1.422 3.524 4.958 631 HH TYR 74 HH TYR 74 2.065 3.539 5.189 632 H GLY 75 H GLY 75 -1.570 -1.508 -0.760 633 1HA GLY 75 2HA GLY 75 -3.089 -3.856 -0.054 634 2HA GLY 75 1HA GLY 75 -2.774 -3.278 -1.701 635 H TYR 76 H TYR 76 -1.736 -4.874 0.886 636 HA TYR 76 HA TYR 76 0.947 -5.380 0.494 637 1HB TYR 76 2HB TYR 76 -0.538 -7.857 1.063 638 2HB TYR 76 1HB TYR 76 0.611 -7.021 2.104 639 HD1 TYR 76 1HD TYR 76 -0.237 -5.229 3.709 640 HD2 TYR 76 2HD TYR 76 -2.857 -7.467 1.214 641 HE1 TYR 76 1HE TYR 76 -2.164 -4.385 4.951 642 HE2 TYR 76 2HE TYR 76 -4.775 -6.624 2.458 643 HH TYR 76 HH TYR 76 -4.625 -4.024 4.492 644 H ILE 77 H ILE 77 1.708 -5.529 -1.442 645 HA ILE 77 HA ILE 77 0.353 -6.626 -3.643 646 HB ILE 77 HB ILE 77 2.658 -6.154 -4.585 647 1HG1 ILE 77 2HG1 ILE 77 2.618 -4.419 -2.124 648 2HG1 ILE 77 1HG1 ILE 77 3.869 -5.530 -2.671 649 1HG2 ILE 77 1HG2 ILE 77 1.834 -3.853 -5.113 650 2HG2 ILE 77 2HG2 ILE 77 0.603 -4.059 -3.859 651 3HG2 ILE 77 3HG2 ILE 77 0.599 -5.102 -5.302 652 1HD1 ILE 77 1HD1 ILE 77 3.098 -2.940 -3.965 653 2HD1 ILE 77 2HD1 ILE 77 4.341 -4.040 -4.543 654 3HD1 ILE 77 3HD1 ILE 77 4.541 -3.218 -2.983 655 H LYS 78 H LYS 78 0.737 -8.281 -4.610 656 HA LYS 78 HA LYS 78 2.734 -10.065 -3.806 657 1HB LYS 78 2HB LYS 78 2.063 -11.341 -5.831 658 2HB LYS 78 1HB LYS 78 0.660 -10.876 -4.872 659 1HG LYS 78 2HG LYS 78 0.331 -8.962 -6.348 660 2HG LYS 78 1HG LYS 78 1.768 -9.565 -7.210 661 1HD LYS 78 2HD LYS 78 0.554 -11.557 -7.896 662 2HD LYS 78 1HD LYS 78 -0.797 -11.148 -6.832 663 1HE LYS 78 2HE LYS 78 -1.171 -9.107 -8.214 664 2HE LYS 78 1HE LYS 78 0.063 -9.694 -9.326 665 1HZ LYS 78 1HZ LYS 78 -2.108 -10.297 -10.127 666 2HZ LYS 78 2HZ LYS 78 -2.489 -11.011 -8.639 667 3HZ LYS 78 3HZ LYS 78 -1.302 -11.709 -9.632 668 H THR 79 H THR 79 4.409 -9.511 -4.147 669 HA THR 79 HA THR 79 6.069 -7.667 -5.126 670 HB THR 79 HB THR 79 7.926 -9.251 -5.245 671 HG1 THR 79 1HG THR 79 7.468 -11.319 -5.735 672 1HG2 THR 79 1HG2 THR 79 7.657 -10.222 -3.022 673 2HG2 THR 79 2HG2 THR 79 5.922 -9.906 -3.096 674 3HG2 THR 79 3HG2 THR 79 7.064 -8.561 -3.063 675 H THR 80 H THR 80 4.922 -10.297 -7.154 676 HA THR 80 HA THR 80 6.459 -9.734 -9.437 677 HB THR 80 HB THR 80 5.426 -11.888 -9.168 678 HG1 THR 80 1HG THR 80 5.657 -11.353 -11.328 679 1HG2 THR 80 1HG2 THR 80 3.465 -11.220 -7.897 680 2HG2 THR 80 2HG2 THR 80 2.978 -12.201 -9.279 681 3HG2 THR 80 3HG2 THR 80 2.775 -10.444 -9.315 682 H ALA 81 H ALA 81 3.629 -8.123 -8.177 683 HA ALA 81 HA ALA 81 2.783 -7.160 -10.757 684 1HB ALA 81 1HB ALA 81 1.129 -7.776 -9.074 685 2HB ALA 81 2HB ALA 81 0.992 -6.076 -9.533 686 3HB ALA 81 3HB ALA 81 1.754 -6.522 -8.003 687 H VAL 82 H VAL 82 5.143 -6.274 -8.567 688 HA VAL 82 HA VAL 82 5.206 -3.634 -9.775 689 HB VAL 82 HB VAL 82 6.011 -2.586 -7.676 690 1HG1 VAL 82 1HG1 VAL 82 3.242 -3.774 -7.470 691 2HG1 VAL 82 2HG1 VAL 82 3.682 -2.289 -8.312 692 3HG1 VAL 82 3HG1 VAL 82 3.831 -2.386 -6.558 693 1HG2 VAL 82 1HG2 VAL 82 6.781 -4.576 -6.508 694 2HG2 VAL 82 2HG2 VAL 82 5.122 -5.169 -6.395 695 3HG2 VAL 82 3HG2 VAL 82 5.592 -3.715 -5.529 696 H GLU 83 H GLU 83 7.251 -2.600 -9.523 697 HA GLU 83 HA GLU 83 9.555 -4.350 -9.067 698 1HB GLU 83 2HB GLU 83 9.124 -2.402 -11.323 699 2HB GLU 83 1HB GLU 83 10.630 -3.278 -11.034 700 1HG GLU 83 2HG GLU 83 9.462 -5.384 -11.457 701 2HG GLU 83 1HG GLU 83 7.974 -4.499 -11.757 702 H ILE 84 H ILE 84 10.724 -3.299 -7.492 703 HA ILE 84 HA ILE 84 9.910 -0.638 -6.842 704 HB ILE 84 HB ILE 84 11.450 -0.702 -4.965 705 1HG1 ILE 84 2HG1 ILE 84 12.595 -3.085 -4.584 706 2HG1 ILE 84 1HG1 ILE 84 12.548 -3.077 -6.349 707 1HG2 ILE 84 1HG2 ILE 84 10.552 -2.606 -3.728 708 2HG2 ILE 84 2HG2 ILE 84 9.924 -3.261 -5.243 709 3HG2 ILE 84 3HG2 ILE 84 9.327 -1.716 -4.636 710 1HD1 ILE 84 1HD1 ILE 84 13.842 -0.993 -4.644 711 2HD1 ILE 84 2HD1 ILE 84 13.798 -1.035 -6.409 712 3HD1 ILE 84 3HD1 ILE 84 14.685 -2.289 -5.517 713 H ASP 85 H ASP 85 11.081 1.191 -6.834 714 HA ASP 85 HA ASP 85 12.928 1.337 -9.049 715 1HB ASP 85 2HB ASP 85 11.114 2.968 -9.016 716 2HB ASP 85 1HB ASP 85 11.584 3.491 -7.403 717 H TYR 86 H TYR 86 14.959 1.768 -8.827 718 HA TYR 86 HA TYR 86 16.122 1.434 -6.197 719 1HB TYR 86 2HB TYR 86 17.552 1.780 -8.838 720 2HB TYR 86 1HB TYR 86 18.162 1.028 -7.372 721 HD1 TYR 86 1HD TYR 86 16.020 0.603 -10.305 722 HD2 TYR 86 2HD TYR 86 17.566 -1.290 -6.822 723 HE1 TYR 86 1HE TYR 86 15.285 -1.557 -11.171 724 HE2 TYR 86 2HE TYR 86 16.827 -3.474 -7.693 725 HH TYR 86 HH TYR 86 15.795 -3.825 -10.951 726 H ASP 87 H ASP 87 17.119 3.055 -5.120 727 HA ASP 87 HA ASP 87 16.692 5.749 -5.830 728 1HB ASP 87 2HB ASP 87 17.005 5.056 -3.493 729 2HB ASP 87 1HB ASP 87 18.647 4.536 -3.849 730 H SER 88 H SER 88 18.147 7.271 -6.644 731 HA SER 88 HA SER 88 19.525 6.049 -8.814 732 1HB SER 88 2HB SER 88 18.031 8.064 -9.030 733 2HB SER 88 1HB SER 88 19.326 9.017 -8.313 734 HG SER 88 HG SER 88 20.646 8.503 -10.061 735 H LEU 89 H LEU 89 21.126 5.027 -7.550 736 HA LEU 89 HA LEU 89 23.613 5.927 -8.286 737 1HB LEU 89 2HB LEU 89 24.801 6.338 -6.257 738 2HB LEU 89 1HB LEU 89 23.379 7.345 -6.133 739 HG LEU 89 HG LEU 89 23.732 4.687 -4.736 740 1HD1 LEU 89 1HD1 LEU 89 24.027 7.492 -3.683 741 2HD1 LEU 89 2HD1 LEU 89 25.324 6.318 -3.907 742 3HD1 LEU 89 3HD1 LEU 89 24.059 6.018 -2.713 743 1HD2 LEU 89 1HD2 LEU 89 21.814 5.400 -3.410 744 2HD2 LEU 89 2HD2 LEU 89 21.400 5.295 -5.123 745 3HD2 LEU 89 3HD2 LEU 89 21.692 6.868 -4.378 746 H LYS 90 H LYS 90 25.240 4.244 -7.453 747 HA LYS 90 HA LYS 90 23.771 1.752 -6.935 748 1HB LYS 90 2HB LYS 90 26.100 2.010 -8.847 749 2HB LYS 90 1HB LYS 90 25.214 0.540 -8.478 750 1HG LYS 90 2HG LYS 90 23.183 1.580 -9.445 751 2HG LYS 90 1HG LYS 90 24.162 2.972 -9.905 752 1HD LYS 90 2HD LYS 90 25.602 1.455 -11.227 753 2HD LYS 90 1HD LYS 90 24.508 0.130 -10.829 754 1HE LYS 90 2HE LYS 90 23.843 2.627 -12.376 755 2HE LYS 90 1HE LYS 90 23.975 0.993 -13.019 756 1HZ LYS 90 1HZ LYS 90 22.095 0.407 -11.480 757 2HZ LYS 90 2HZ LYS 90 21.695 1.436 -12.755 758 3HZ LYS 90 3HZ LYS 90 21.886 2.076 -11.219 759 H LEU 91 H LEU 91 27.134 2.871 -7.245 760 HA LEU 91 HA LEU 91 27.792 1.368 -4.868 761 1HB LEU 91 2HB LEU 91 29.474 2.978 -6.780 762 2HB LEU 91 1HB LEU 91 30.109 2.149 -5.373 763 HG LEU 91 HG LEU 91 28.780 0.808 -7.731 764 1HD1 LEU 91 1HD1 LEU 91 31.031 0.000 -8.252 765 2HD1 LEU 91 2HD1 LEU 91 31.683 0.967 -6.927 766 3HD1 LEU 91 3HD1 LEU 91 30.943 1.761 -8.318 767 1HD2 LEU 91 1HD2 LEU 91 30.201 -0.344 -5.326 768 2HD2 LEU 91 2HD2 LEU 91 29.590 -1.266 -6.700 769 3HD2 LEU 91 3HD2 LEU 91 28.466 -0.419 -5.637 770 H LYS 92 H LYS 92 28.608 2.295 -3.046 771 HA LYS 92 HA LYS 92 27.777 5.070 -2.593 772 1HB LYS 92 2HB LYS 92 26.915 3.223 -1.133 773 2HB LYS 92 1HB LYS 92 28.562 2.884 -0.641 774 1HG LYS 92 2HG LYS 92 28.705 5.089 0.405 775 2HG LYS 92 1HG LYS 92 27.050 5.436 -0.101 776 1HD LYS 92 2HD LYS 92 27.137 4.700 2.231 777 2HD LYS 92 1HD LYS 92 26.238 3.562 1.227 778 1HE LYS 92 2HE LYS 92 28.227 2.126 1.092 779 2HE LYS 92 1HE LYS 92 29.111 3.259 2.110 780 1HZ LYS 92 1HZ LYS 92 26.669 1.779 2.894 781 2HZ LYS 92 2HZ LYS 92 27.560 2.850 3.878 782 3HZ LYS 92 3HZ LYS 92 28.241 1.398 3.390 783 H LYS 93 H LYS 93 30.236 3.739 -3.818 784 HA LYS 93 HA LYS 93 32.556 4.533 -2.348 785 1HB LYS 93 2HB LYS 93 32.299 4.242 -5.353 786 2HB LYS 93 1HB LYS 93 33.756 4.073 -4.391 787 1HG LYS 93 2HG LYS 93 31.390 2.202 -4.323 788 2HG LYS 93 1HG LYS 93 32.896 1.923 -5.197 789 1HD LYS 93 2HD LYS 93 34.129 1.863 -3.131 790 2HD LYS 93 1HD LYS 93 32.685 2.313 -2.221 791 1HE LYS 93 2HE LYS 93 31.602 0.234 -2.899 792 2HE LYS 93 1HE LYS 93 33.030 -0.211 -3.833 793 1HZ LYS 93 1HZ LYS 93 33.157 0.310 -0.919 794 2HZ LYS 93 2HZ LYS 93 34.275 -0.536 -1.887 795 3HZ LYS 93 3HZ LYS 93 32.762 -1.199 -1.544 796 H ASP 94 H ASP 94 30.691 5.827 -5.053 797 HA ASP 94 HA ASP 94 30.950 8.531 -4.361 798 1HB ASP 94 2HB ASP 94 33.186 8.201 -5.429 799 2HB ASP 94 1HB ASP 94 32.399 7.503 -6.837 800 H LEU 95 H LEU 95 29.538 9.719 -5.932 801 HA LEU 95 HA LEU 95 27.503 7.857 -6.752 802 1HB LEU 95 2HB LEU 95 25.964 9.767 -7.014 803 2HB LEU 95 1HB LEU 95 26.635 9.638 -5.410 804 HG LEU 95 HG LEU 95 27.590 11.652 -7.469 805 1HD1 LEU 95 1HD1 LEU 95 26.273 13.291 -6.219 806 2HD1 LEU 95 2HD1 LEU 95 25.631 11.997 -5.205 807 3HD1 LEU 95 3HD1 LEU 95 25.250 12.041 -6.928 808 1HD2 LEU 95 1HD2 LEU 95 29.217 11.174 -5.683 809 2HD2 LEU 95 2HD2 LEU 95 27.982 11.514 -4.470 810 3HD2 LEU 95 3HD2 LEU 95 28.556 12.801 -5.530 811 H GLU 96 H GLU 96 28.727 7.031 -8.449 812 HA GLU 96 HA GLU 96 27.888 8.218 -10.941 813 1HB GLU 96 2HB GLU 96 30.752 7.612 -10.273 814 2HB GLU 96 1HB GLU 96 30.179 7.389 -11.916 815 1HG GLU 96 2HG GLU 96 30.125 9.952 -10.346 816 2HG GLU 96 1HG GLU 96 31.253 9.539 -11.637 Start of MODEL 19 1 1H GLU 1 1HT GLU 1 -24.748 24.519 1.571 2 2H GLU 1 2HT GLU 1 -24.202 25.888 2.401 3 3H GLU 1 3HT GLU 1 -25.598 25.079 2.916 4 HA GLU 1 HA GLU 1 -22.858 23.997 2.930 5 1HB GLU 1 2HB GLU 1 -23.400 25.687 4.708 6 2HB GLU 1 1HB GLU 1 -24.730 24.660 5.220 7 1HG GLU 1 2HG GLU 1 -23.118 22.870 5.727 8 2HG GLU 1 1HG GLU 1 -21.806 23.957 5.280 9 H LYS 2 H LYS 2 -22.714 21.845 3.269 10 HA LYS 2 HA LYS 2 -25.166 20.268 3.678 11 1HB LYS 2 2HB LYS 2 -22.994 19.786 1.628 12 2HB LYS 2 1HB LYS 2 -24.240 18.629 2.048 13 1HG LYS 2 2HG LYS 2 -24.729 21.335 0.830 14 2HG LYS 2 1HG LYS 2 -24.676 19.808 -0.057 15 1HD LYS 2 2HD LYS 2 -26.522 18.990 1.389 16 2HD LYS 2 1HD LYS 2 -26.623 20.611 2.089 17 1HE LYS 2 2HE LYS 2 -27.098 21.536 -0.104 18 2HE LYS 2 1HE LYS 2 -26.946 19.935 -0.824 19 1HZ LYS 2 1HZ LYS 2 -29.038 20.851 1.075 20 2HZ LYS 2 2HZ LYS 2 -28.779 19.249 0.682 21 3HZ LYS 2 3HZ LYS 2 -29.233 20.330 -0.537 22 H LYS 3 H LYS 3 -24.701 18.209 4.645 23 HA LYS 3 HA LYS 3 -22.378 18.080 6.283 24 1HB LYS 3 2HB LYS 3 -24.309 15.883 5.493 25 2HB LYS 3 1HB LYS 3 -23.045 15.721 6.698 26 1HG LYS 3 2HG LYS 3 -24.159 17.514 8.005 27 2HG LYS 3 1HG LYS 3 -25.477 17.476 6.830 28 1HD LYS 3 2HD LYS 3 -24.536 15.112 8.456 29 2HD LYS 3 1HD LYS 3 -25.933 16.113 8.844 30 1HE LYS 3 2HE LYS 3 -27.012 15.438 6.770 31 2HE LYS 3 1HE LYS 3 -25.585 14.505 6.313 32 1HZ LYS 3 1HZ LYS 3 -27.204 13.992 8.743 33 2HZ LYS 3 2HZ LYS 3 -25.969 13.009 8.155 34 3HZ LYS 3 3HZ LYS 3 -27.419 13.167 7.304 35 H GLU 4 H GLU 4 -20.651 16.585 6.059 36 HA GLU 4 HA GLU 4 -19.915 16.366 3.279 37 1HB GLU 4 2HB GLU 4 -18.321 15.873 5.781 38 2HB GLU 4 1HB GLU 4 -17.688 15.876 4.141 39 1HG GLU 4 2HG GLU 4 -18.297 18.222 3.914 40 2HG GLU 4 1HG GLU 4 -18.919 18.214 5.566 41 H GLN 5 H GLN 5 -20.114 14.338 6.177 42 HA GLN 5 HA GLN 5 -19.485 12.175 6.407 43 1HB GLN 5 2HB GLN 5 -21.292 10.572 5.876 44 2HB GLN 5 1HB GLN 5 -21.927 12.040 6.559 45 1HG GLN 5 2HG GLN 5 -21.984 11.513 3.591 46 2HG GLN 5 1HG GLN 5 -23.208 10.868 4.669 47 1HE2 GLN 5 1HE2 GLN 5 -22.057 13.612 3.002 48 2HE2 GLN 5 2HE2 GLN 5 -23.320 14.701 3.415 49 H LYS 6 H LYS 6 -17.598 12.207 5.471 50 HA LYS 6 HA LYS 6 -17.400 11.658 2.637 51 1HB LYS 6 2HB LYS 6 -15.272 12.367 4.650 52 2HB LYS 6 1HB LYS 6 -15.054 12.279 2.902 53 1HG LYS 6 2HG LYS 6 -16.580 14.096 2.562 54 2HG LYS 6 1HG LYS 6 -16.997 14.121 4.271 55 1HD LYS 6 2HD LYS 6 -15.499 15.928 3.822 56 2HD LYS 6 1HD LYS 6 -14.640 14.714 4.768 57 1HE LYS 6 2HE LYS 6 -13.589 13.875 2.741 58 2HE LYS 6 1HE LYS 6 -14.469 15.072 1.785 59 1HZ LYS 6 1HZ LYS 6 -12.502 15.638 3.918 60 2HZ LYS 6 2HZ LYS 6 -13.372 16.805 3.072 61 3HZ LYS 6 3HZ LYS 6 -12.233 15.850 2.255 62 H GLU 7 H GLU 7 -17.474 9.659 2.061 63 HA GLU 7 HA GLU 7 -15.984 7.698 3.627 64 1HB GLU 7 2HB GLU 7 -18.460 7.400 3.532 65 2HB GLU 7 1HB GLU 7 -18.325 7.252 1.788 66 1HG GLU 7 2HG GLU 7 -16.907 5.272 2.098 67 2HG GLU 7 1HG GLU 7 -17.154 5.409 3.845 68 H LYS 8 H LYS 8 -14.123 7.959 2.624 69 HA LYS 8 HA LYS 8 -13.942 7.197 -0.230 70 1HB LYS 8 2HB LYS 8 -12.118 9.081 1.287 71 2HB LYS 8 1HB LYS 8 -11.950 8.613 -0.397 72 1HG LYS 8 2HG LYS 8 -13.992 9.786 -0.957 73 2HG LYS 8 1HG LYS 8 -14.251 10.180 0.746 74 1HD LYS 8 2HD LYS 8 -12.128 11.413 0.760 75 2HD LYS 8 1HD LYS 8 -11.923 11.058 -0.954 76 1HE LYS 8 2HE LYS 8 -13.931 12.304 -1.477 77 2HE LYS 8 1HE LYS 8 -14.225 12.589 0.240 78 1HZ LYS 8 1HZ LYS 8 -12.103 13.768 0.328 79 2HZ LYS 8 2HZ LYS 8 -13.207 14.522 -0.697 80 3HZ LYS 8 3HZ LYS 8 -11.922 13.597 -1.343 81 H GLU 9 H GLU 9 -13.491 6.346 2.880 82 HA GLU 9 HA GLU 9 -11.369 4.483 2.246 83 1HB GLU 9 2HB GLU 9 -10.347 6.414 3.429 84 2HB GLU 9 1HB GLU 9 -11.513 6.232 4.726 85 1HG GLU 9 2HG GLU 9 -9.311 5.339 5.306 86 2HG GLU 9 1HG GLU 9 -10.559 4.095 5.326 87 H LYS 10 H LYS 10 -11.513 2.630 3.599 88 HA LYS 10 HA LYS 10 -14.106 2.302 4.984 89 1HB LYS 10 2HB LYS 10 -12.560 0.263 3.358 90 2HB LYS 10 1HB LYS 10 -13.990 -0.100 4.313 91 1HG LYS 10 2HG LYS 10 -15.304 1.401 2.897 92 2HG LYS 10 1HG LYS 10 -13.867 1.738 1.931 93 1HD LYS 10 2HD LYS 10 -15.236 0.074 0.823 94 2HD LYS 10 1HD LYS 10 -13.724 -0.657 1.356 95 1HE LYS 10 2HE LYS 10 -14.856 -1.615 3.295 96 2HE LYS 10 1HE LYS 10 -16.369 -0.848 2.807 97 1HZ LYS 10 1HZ LYS 10 -16.326 -2.142 0.780 98 2HZ LYS 10 2HZ LYS 10 -16.313 -3.178 2.111 99 3HZ LYS 10 3HZ LYS 10 -14.888 -2.895 1.241 100 H LYS 11 H LYS 11 -11.458 3.155 5.794 101 HA LYS 11 HA LYS 11 -10.023 3.014 7.461 102 1HB LYS 11 2HB LYS 11 -11.743 0.725 8.448 103 2HB LYS 11 1HB LYS 11 -10.362 1.361 9.335 104 1HG LYS 11 2HG LYS 11 -11.427 3.516 9.526 105 2HG LYS 11 1HG LYS 11 -12.784 2.960 8.543 106 1HD LYS 11 2HD LYS 11 -13.339 1.306 10.249 107 2HD LYS 11 1HD LYS 11 -11.967 1.844 11.222 108 1HE LYS 11 2HE LYS 11 -14.096 2.797 12.004 109 2HE LYS 11 1HE LYS 11 -12.962 4.035 11.473 110 1HZ LYS 11 1HZ LYS 11 -15.309 4.357 10.692 111 2HZ LYS 11 2HZ LYS 11 -15.139 2.981 9.732 112 3HZ LYS 11 3HZ LYS 11 -14.173 4.320 9.453 113 H GLU 12 H GLU 12 -8.072 2.355 7.523 114 HA GLU 12 HA GLU 12 -7.489 -0.005 5.920 115 1HB GLU 12 2HB GLU 12 -5.193 1.088 5.642 116 2HB GLU 12 1HB GLU 12 -6.548 1.823 4.807 117 1HG GLU 12 2HG GLU 12 -5.109 3.523 5.739 118 2HG GLU 12 1HG GLU 12 -6.673 3.549 6.545 119 H GLN 13 H GLN 13 -8.065 0.196 8.827 120 HA GLN 13 HA GLN 13 -5.686 -0.305 10.261 121 1HB GLN 13 2HB GLN 13 -8.535 -1.100 10.858 122 2HB GLN 13 1HB GLN 13 -7.201 -1.293 11.990 123 1HG GLN 13 2HG GLN 13 -8.119 1.317 10.829 124 2HG GLN 13 1HG GLN 13 -8.541 0.704 12.426 125 1HE2 GLN 13 1HE2 GLN 13 -5.986 2.071 10.446 126 2HE2 GLN 13 2HE2 GLN 13 -4.918 2.319 11.780 127 H GLU 14 H GLU 14 -7.797 -2.194 8.485 128 HA GLU 14 HA GLU 14 -7.056 -4.796 8.949 129 1HB GLU 14 2HB GLU 14 -7.941 -3.358 6.505 130 2HB GLU 14 1HB GLU 14 -7.397 -5.024 6.369 131 1HG GLU 14 2HG GLU 14 -9.550 -4.097 8.242 132 2HG GLU 14 1HG GLU 14 -9.838 -4.764 6.630 133 H ILE 15 H ILE 15 -5.188 -2.328 7.265 134 HA ILE 15 HA ILE 15 -3.574 -4.260 5.953 135 HB ILE 15 HB ILE 15 -2.324 -2.484 4.994 136 1HG1 ILE 15 2HG1 ILE 15 -2.992 0.013 5.855 137 2HG1 ILE 15 1HG1 ILE 15 -3.226 -0.871 7.336 138 1HG2 ILE 15 1HG2 ILE 15 -4.522 -2.689 4.096 139 2HG2 ILE 15 2HG2 ILE 15 -4.038 -0.992 4.073 140 3HG2 ILE 15 3HG2 ILE 15 -5.164 -1.576 5.301 141 1HD1 ILE 15 1HD1 ILE 15 -1.010 0.129 7.242 142 2HD1 ILE 15 2HD1 ILE 15 -0.644 -0.803 5.791 143 3HD1 ILE 15 3HD1 ILE 15 -0.926 -1.632 7.322 144 H LYS 16 H LYS 16 -3.482 -2.502 8.897 145 HA LYS 16 HA LYS 16 -0.804 -3.075 9.205 146 1HB LYS 16 2HB LYS 16 -2.710 -1.761 11.076 147 2HB LYS 16 1HB LYS 16 -1.157 -2.297 11.685 148 1HG LYS 16 2HG LYS 16 -0.303 -0.378 11.004 149 2HG LYS 16 1HG LYS 16 -0.586 -0.894 9.345 150 1HD LYS 16 2HD LYS 16 -2.729 0.167 9.322 151 2HD LYS 16 1HD LYS 16 -2.628 0.545 11.042 152 1HE LYS 16 2HE LYS 16 -0.564 1.891 10.516 153 2HE LYS 16 1HE LYS 16 -0.924 1.648 8.808 154 1HZ LYS 16 1HZ LYS 16 -3.026 2.781 9.116 155 2HZ LYS 16 2HZ LYS 16 -1.753 3.763 9.607 156 3HZ LYS 16 3HZ LYS 16 -2.701 2.978 10.774 157 H LYS 17 H LYS 17 -3.641 -4.648 10.153 158 HA LYS 17 HA LYS 17 -2.173 -6.391 11.943 159 1HB LYS 17 2HB LYS 17 -4.461 -5.596 12.523 160 2HB LYS 17 1HB LYS 17 -5.091 -6.485 11.145 161 1HG LYS 17 2HG LYS 17 -4.465 -8.577 12.138 162 2HG LYS 17 1HG LYS 17 -3.628 -7.748 13.449 163 1HD LYS 17 2HD LYS 17 -6.593 -7.598 12.896 164 2HD LYS 17 1HD LYS 17 -5.841 -8.607 14.128 165 1HE LYS 17 2HE LYS 17 -5.781 -5.588 13.998 166 2HE LYS 17 1HE LYS 17 -6.741 -6.563 15.109 167 1HZ LYS 17 1HZ LYS 17 -4.829 -5.788 16.253 168 2HZ LYS 17 2HZ LYS 17 -3.780 -6.305 15.048 169 3HZ LYS 17 3HZ LYS 17 -4.578 -7.436 16.008 170 H LYS 18 H LYS 18 -3.106 -6.221 8.677 171 HA LYS 18 HA LYS 18 -3.258 -9.030 8.156 172 1HB LYS 18 2HB LYS 18 -4.272 -7.051 6.835 173 2HB LYS 18 1HB LYS 18 -2.692 -6.961 6.079 174 1HG LYS 18 2HG LYS 18 -3.967 -8.252 4.625 175 2HG LYS 18 1HG LYS 18 -3.010 -9.434 5.527 176 1HD LYS 18 2HD LYS 18 -5.348 -10.160 5.318 177 2HD LYS 18 1HD LYS 18 -4.930 -9.852 7.009 178 1HE LYS 18 2HE LYS 18 -6.000 -7.661 6.898 179 2HE LYS 18 1HE LYS 18 -6.329 -7.895 5.190 180 1HZ LYS 18 1HZ LYS 18 -7.463 -9.736 7.238 181 2HZ LYS 18 2HZ LYS 18 -7.996 -9.452 5.643 182 3HZ LYS 18 3HZ LYS 18 -8.178 -8.285 6.817 183 H PHE 19 H PHE 19 -0.828 -6.495 7.153 184 HA PHE 19 HA PHE 19 0.988 -8.600 6.372 185 1HB PHE 19 2HB PHE 19 0.705 -6.249 5.249 186 2HB PHE 19 1HB PHE 19 1.653 -5.644 6.597 187 HD1 PHE 19 1HD PHE 19 1.751 -7.460 3.428 188 HD2 PHE 19 2HD PHE 19 4.014 -6.252 6.825 189 HE1 PHE 19 1HE PHE 19 3.837 -7.865 2.198 190 HE2 PHE 19 2HE PHE 19 6.093 -6.666 5.571 191 HZ PHE 19 HZ PHE 19 6.033 -7.430 3.300 192 H LYS 20 H LYS 20 0.196 -6.685 9.028 193 HA LYS 20 HA LYS 20 0.792 -6.502 11.124 194 1HB LYS 20 2HB LYS 20 0.893 -9.014 11.081 195 2HB LYS 20 1HB LYS 20 2.589 -8.915 10.679 196 1HG LYS 20 2HG LYS 20 1.479 -7.805 13.259 197 2HG LYS 20 1HG LYS 20 1.957 -9.488 13.086 198 1HD LYS 20 2HD LYS 20 3.739 -7.062 12.764 199 2HD LYS 20 1HD LYS 20 3.739 -8.187 14.126 200 1HE LYS 20 2HE LYS 20 4.356 -10.007 12.552 201 2HE LYS 20 1HE LYS 20 4.457 -8.813 11.263 202 1HZ LYS 20 1HZ LYS 20 6.213 -7.681 12.669 203 2HZ LYS 20 2HZ LYS 20 6.605 -9.195 12.036 204 3HZ LYS 20 3HZ LYS 20 6.181 -9.063 13.657 205 H LEU 21 H LEU 21 1.537 -4.631 11.058 206 HA LEU 21 HA LEU 21 4.386 -4.296 10.474 207 1HB LEU 21 2HB LEU 21 2.434 -2.073 10.919 208 2HB LEU 21 1HB LEU 21 4.040 -2.012 10.462 209 HG LEU 21 HG LEU 21 2.988 -1.656 8.338 210 1HD1 LEU 21 1HD1 LEU 21 3.396 -3.618 6.983 211 2HD1 LEU 21 2HD1 LEU 21 3.478 -4.586 8.442 212 3HD1 LEU 21 3HD1 LEU 21 4.707 -3.344 8.149 213 1HD2 LEU 21 1HD2 LEU 21 1.152 -2.993 7.398 214 2HD2 LEU 21 2HD2 LEU 21 0.637 -2.250 8.890 215 3HD2 LEU 21 3HD2 LEU 21 1.066 -3.957 8.849 216 H THR 22 H THR 22 2.032 -2.744 12.470 217 HA THR 22 HA THR 22 1.826 -2.414 14.629 218 HB THR 22 HB THR 22 3.809 -4.609 15.116 219 HG1 THR 22 1HG THR 22 1.045 -5.069 14.522 220 1HG2 THR 22 1HG2 THR 22 2.229 -5.082 16.830 221 2HG2 THR 22 2HG2 THR 22 1.201 -3.756 16.169 222 3HG2 THR 22 3HG2 THR 22 2.795 -3.378 16.876 223 H GLY 23 H GLY 23 3.338 -0.532 13.667 224 1HA GLY 23 2HA GLY 23 4.771 0.597 15.590 225 2HA GLY 23 1HA GLY 23 5.954 -0.511 14.902 226 HA PRO 24 HA PRO 24 5.752 3.453 12.453 227 1HB PRO 24 2HB PRO 24 8.455 4.020 13.378 228 2HB PRO 24 1HB PRO 24 7.003 5.011 13.537 229 1HG PRO 24 2HG PRO 24 8.202 3.816 15.658 230 2HG PRO 24 1HG PRO 24 6.454 4.112 15.579 231 1HD PRO 24 2HD PRO 24 7.975 1.588 15.032 232 2HD PRO 24 1HD PRO 24 6.464 1.817 15.941 233 H ILE 25 H ILE 25 5.958 2.560 10.528 234 HA ILE 25 HA ILE 25 8.562 1.448 9.726 235 HB ILE 25 HB ILE 25 7.433 0.555 7.734 236 1HG1 ILE 25 2HG1 ILE 25 4.850 1.599 8.928 237 2HG1 ILE 25 1HG1 ILE 25 5.685 2.321 7.558 238 1HG2 ILE 25 1HG2 ILE 25 6.041 -1.168 8.793 239 2HG2 ILE 25 2HG2 ILE 25 6.017 -0.218 10.278 240 3HG2 ILE 25 3HG2 ILE 25 7.540 -0.878 9.681 241 1HD1 ILE 25 1HD1 ILE 25 4.525 -0.448 7.661 242 2HD1 ILE 25 2HD1 ILE 25 5.374 0.279 6.295 243 3HD1 ILE 25 3HD1 ILE 25 3.831 0.955 6.831 244 H GLN 26 H GLN 26 8.647 1.986 7.112 245 HA GLN 26 HA GLN 26 8.150 4.815 6.822 246 1HB GLN 26 2HB GLN 26 10.439 5.446 6.466 247 2HB GLN 26 1HB GLN 26 10.372 4.602 8.005 248 1HG GLN 26 2HG GLN 26 11.187 2.557 6.880 249 2HG GLN 26 1HG GLN 26 11.288 3.473 5.376 250 1HE2 GLN 26 1HE2 GLN 26 12.263 5.887 6.857 251 2HE2 GLN 26 2HE2 GLN 26 13.913 5.527 7.195 252 H VAL 27 H VAL 27 8.941 5.469 4.536 253 HA VAL 27 HA VAL 27 8.341 3.341 2.703 254 HB VAL 27 HB VAL 27 9.121 6.225 2.261 255 1HG1 VAL 27 1HG1 VAL 27 8.491 4.132 0.175 256 2HG1 VAL 27 2HG1 VAL 27 10.071 4.860 0.455 257 3HG1 VAL 27 3HG1 VAL 27 8.738 5.855 -0.140 258 1HG2 VAL 27 1HG2 VAL 27 6.912 6.374 1.297 259 2HG2 VAL 27 2HG2 VAL 27 6.860 5.788 2.986 260 3HG2 VAL 27 3HG2 VAL 27 6.681 4.658 1.630 261 H ILE 28 H ILE 28 9.678 2.201 1.845 262 HA ILE 28 HA ILE 28 12.493 2.466 2.499 263 HB ILE 28 HB ILE 28 11.075 0.218 1.046 264 1HG1 ILE 28 2HG1 ILE 28 10.176 0.464 3.315 265 2HG1 ILE 28 1HG1 ILE 28 11.137 -1.002 3.175 266 1HG2 ILE 28 1HG2 ILE 28 13.452 0.302 0.611 267 2HG2 ILE 28 2HG2 ILE 28 13.046 -1.091 1.614 268 3HG2 ILE 28 3HG2 ILE 28 13.787 0.337 2.343 269 1HD1 ILE 28 1HD1 ILE 28 11.528 0.114 5.291 270 2HD1 ILE 28 2HD1 ILE 28 12.003 1.587 4.446 271 3HD1 ILE 28 3HD1 ILE 28 12.993 0.131 4.307 272 H HIS 29 H HIS 29 10.265 2.599 -0.228 273 HA HIS 29 HA HIS 29 12.144 3.735 -2.051 274 1HB HIS 29 2HB HIS 29 11.441 0.816 -2.434 275 2HB HIS 29 1HB HIS 29 11.971 1.816 -3.763 276 HD1 HIS 29 1HD HIS 29 13.191 -0.736 -1.571 277 HD2 HIS 29 2HD HIS 29 14.775 2.898 -2.860 278 HE1 HIS 29 1HE HIS 29 15.636 -0.885 -1.176 279 HE2 HIS 29 2HE HIS 29 16.522 1.406 -1.715 280 H LEU 30 H LEU 30 11.072 3.837 -4.254 281 HA LEU 30 HA LEU 30 8.199 3.531 -3.938 282 1HB LEU 30 2HB LEU 30 9.722 5.509 -5.642 283 2HB LEU 30 1HB LEU 30 8.044 5.119 -5.936 284 HG LEU 30 HG LEU 30 7.557 5.909 -3.592 285 1HD1 LEU 30 1HD1 LEU 30 10.336 7.035 -3.780 286 2HD1 LEU 30 2HD1 LEU 30 9.772 5.801 -2.651 287 3HD1 LEU 30 3HD1 LEU 30 9.131 7.440 -2.556 288 1HD2 LEU 30 1HD2 LEU 30 7.561 8.268 -4.233 289 2HD2 LEU 30 2HD2 LEU 30 7.015 7.223 -5.546 290 3HD2 LEU 30 3HD2 LEU 30 8.644 7.896 -5.575 291 H ALA 31 H ALA 31 7.299 2.224 -5.112 292 HA ALA 31 HA ALA 31 8.819 0.836 -7.200 293 1HB ALA 31 1HB ALA 31 6.294 -0.073 -5.814 294 2HB ALA 31 2HB ALA 31 7.933 -0.606 -5.417 295 3HB ALA 31 3HB ALA 31 7.235 -0.992 -6.987 296 H LYS 32 H LYS 32 7.748 0.199 -9.079 297 HA LYS 32 HA LYS 32 5.741 2.142 -10.046 298 1HB LYS 32 2HB LYS 32 7.914 2.037 -11.262 299 2HB LYS 32 1HB LYS 32 7.650 0.321 -11.531 300 1HG LYS 32 2HG LYS 32 5.545 0.943 -12.762 301 2HG LYS 32 1HG LYS 32 6.073 2.624 -12.653 302 1HD LYS 32 2HD LYS 32 7.563 0.357 -13.983 303 2HD LYS 32 1HD LYS 32 6.710 1.668 -14.798 304 1HE LYS 32 2HE LYS 32 8.260 3.282 -13.829 305 2HE LYS 32 1HE LYS 32 9.083 1.986 -12.966 306 1HZ LYS 32 1HZ LYS 32 8.928 2.324 -15.908 307 2HZ LYS 32 2HZ LYS 32 9.632 0.998 -15.117 308 3HZ LYS 32 3HZ LYS 32 10.298 2.533 -14.928 309 H ALA 33 H ALA 33 3.772 1.336 -10.343 310 HA ALA 33 HA ALA 33 3.132 -1.370 -10.078 311 1HB ALA 33 1HB ALA 33 1.426 0.404 -9.878 312 2HB ALA 33 2HB ALA 33 0.984 -0.732 -11.139 313 3HB ALA 33 3HB ALA 33 1.659 0.826 -11.573 314 H CYS 34 H CYS 34 4.034 -2.810 -11.361 315 HA CYS 34 HA CYS 34 4.773 -2.212 -14.117 316 1HB CYS 34 2HB CYS 34 6.356 -3.305 -12.512 317 2HB CYS 34 1HB CYS 34 5.250 -4.661 -12.390 318 HG CYS 34 HG CYS 34 7.642 -4.053 -14.525 319 H CYS 35 H CYS 35 2.187 -3.275 -12.443 320 HA CYS 35 HA CYS 35 0.996 -4.603 -14.707 321 1HB CYS 35 2HB CYS 35 1.109 -5.848 -11.945 322 2HB CYS 35 1HB CYS 35 0.177 -6.457 -13.304 323 HG CYS 35 HG CYS 35 3.187 -6.192 -14.368 324 H ASP 36 H ASP 36 -1.141 -4.311 -14.705 325 HA ASP 36 HA ASP 36 -2.317 -2.547 -12.712 326 1HB ASP 36 2HB ASP 36 -4.228 -2.311 -14.254 327 2HB ASP 36 1HB ASP 36 -2.721 -1.975 -15.082 328 H VAL 37 H VAL 37 -2.948 -3.569 -10.982 329 HA VAL 37 HA VAL 37 -4.449 -6.080 -11.308 330 HB VAL 37 HB VAL 37 -2.240 -6.312 -10.138 331 1HG1 VAL 37 1HG1 VAL 37 -2.041 -5.548 -7.850 332 2HG1 VAL 37 2HG1 VAL 37 -3.573 -4.682 -8.030 333 3HG1 VAL 37 3HG1 VAL 37 -2.180 -4.225 -9.007 334 1HG2 VAL 37 1HG2 VAL 37 -4.642 -6.965 -8.458 335 2HG2 VAL 37 2HG2 VAL 37 -3.031 -7.662 -8.281 336 3HG2 VAL 37 3HG2 VAL 37 -3.963 -7.961 -9.752 337 H LYS 38 H LYS 38 -6.235 -6.415 -9.760 338 HA LYS 38 HA LYS 38 -7.191 -3.895 -8.620 339 1HB LYS 38 2HB LYS 38 -9.531 -4.585 -9.085 340 2HB LYS 38 1HB LYS 38 -8.600 -4.339 -10.545 341 1HG LYS 38 2HG LYS 38 -8.868 -7.109 -9.456 342 2HG LYS 38 1HG LYS 38 -10.239 -6.373 -10.277 343 1HD LYS 38 2HD LYS 38 -7.469 -6.663 -11.452 344 2HD LYS 38 1HD LYS 38 -8.818 -7.754 -11.773 345 1HE LYS 38 2HE LYS 38 -10.106 -5.855 -12.676 346 2HE LYS 38 1HE LYS 38 -8.722 -4.803 -12.395 347 1HZ LYS 38 1HZ LYS 38 -7.444 -6.165 -13.961 348 2HZ LYS 38 2HZ LYS 38 -8.814 -5.510 -14.685 349 3HZ LYS 38 3HZ LYS 38 -8.790 -7.133 -14.251 350 H GLY 39 H GLY 39 -5.633 -5.801 -7.270 351 1HA GLY 39 2HA GLY 39 -5.840 -6.434 -4.992 352 2HA GLY 39 1HA GLY 39 -7.570 -6.581 -5.203 353 H GLY 40 H GLY 40 -4.607 -8.045 -6.502 354 1HA GLY 40 2HA GLY 40 -5.916 -10.578 -6.954 355 2HA GLY 40 1HA GLY 40 -4.205 -10.225 -7.178 356 H LYS 41 H LYS 41 -6.596 -11.416 -5.081 357 HA LYS 41 HA LYS 41 -6.704 -12.267 -3.033 358 1HB LYS 41 2HB LYS 41 -5.153 -13.977 -3.939 359 2HB LYS 41 1HB LYS 41 -3.784 -12.998 -3.411 360 1HG LYS 41 2HG LYS 41 -4.647 -13.176 -1.076 361 2HG LYS 41 1HG LYS 41 -5.857 -14.308 -1.668 362 1HD LYS 41 2HD LYS 41 -4.045 -15.783 -2.444 363 2HD LYS 41 1HD LYS 41 -2.867 -14.652 -1.764 364 1HE LYS 41 2HE LYS 41 -3.854 -14.954 0.448 365 2HE LYS 41 1HE LYS 41 -5.033 -16.074 -0.231 366 1HZ LYS 41 1HZ LYS 41 -3.115 -17.466 -0.924 367 2HZ LYS 41 2HZ LYS 41 -3.348 -17.343 0.732 368 3HZ LYS 41 3HZ LYS 41 -2.100 -16.468 0.011 369 H ASN 42 H ASN 42 -7.067 -10.196 -2.257 370 HA ASN 42 HA ASN 42 -6.849 -8.470 -0.820 371 1HB ASN 42 2HB ASN 42 -6.787 -10.410 0.748 372 2HB ASN 42 1HB ASN 42 -5.036 -10.404 0.658 373 1HD2 ASN 42 1HD2 ASN 42 -7.111 -7.515 0.887 374 2HD2 ASN 42 2HD2 ASN 42 -6.535 -7.051 2.435 375 H GLU 43 H GLU 43 -5.775 -7.362 -2.515 376 HA GLU 43 HA GLU 43 -2.962 -6.790 -1.962 377 1HB GLU 43 2HB GLU 43 -3.402 -8.488 -3.845 378 2HB GLU 43 1HB GLU 43 -4.155 -7.175 -4.702 379 1HG GLU 43 2HG GLU 43 -2.169 -6.087 -5.104 380 2HG GLU 43 1HG GLU 43 -1.342 -6.881 -3.762 381 H LEU 44 H LEU 44 -2.527 -4.824 -3.743 382 HA LEU 44 HA LEU 44 -4.383 -2.714 -2.915 383 1HB LEU 44 2HB LEU 44 -1.615 -2.909 -3.111 384 2HB LEU 44 1HB LEU 44 -2.058 -2.103 -4.597 385 HG LEU 44 HG LEU 44 -2.595 -1.128 -1.798 386 1HD1 LEU 44 1HD1 LEU 44 -0.866 -0.104 -3.967 387 2HD1 LEU 44 2HD1 LEU 44 -0.375 -0.896 -2.438 388 3HD1 LEU 44 3HD1 LEU 44 -1.192 0.684 -2.413 389 1HD2 LEU 44 1HD2 LEU 44 -3.409 0.909 -2.759 390 2HD2 LEU 44 2HD2 LEU 44 -4.442 -0.454 -3.205 391 3HD2 LEU 44 3HD2 LEU 44 -3.288 0.226 -4.378 392 H SER 45 H SER 45 -5.403 -1.443 -4.540 393 HA SER 45 HA SER 45 -5.304 -2.639 -7.149 394 1HB SER 45 2HB SER 45 -7.213 -0.608 -6.007 395 2HB SER 45 1HB SER 45 -7.315 -1.238 -7.653 396 HG SER 45 HG SER 45 -7.338 -2.921 -5.353 397 H PHE 46 H PHE 46 -4.270 -1.759 -8.795 398 HA PHE 46 HA PHE 46 -3.808 1.026 -9.036 399 1HB PHE 46 2HB PHE 46 -1.273 0.717 -9.153 400 2HB PHE 46 1HB PHE 46 -1.984 0.719 -7.539 401 HD1 PHE 46 1HD PHE 46 -1.860 -1.236 -6.177 402 HD2 PHE 46 2HD PHE 46 -0.456 -1.320 -10.178 403 HE1 PHE 46 1HE PHE 46 -0.731 -3.360 -5.736 404 HE2 PHE 46 2HE PHE 46 0.680 -3.447 -9.745 405 HZ PHE 46 HZ PHE 46 0.538 -4.477 -7.528 406 H LYS 47 H LYS 47 -2.644 1.476 -10.992 407 HA LYS 47 HA LYS 47 -2.934 -0.719 -12.893 408 1HB LYS 47 2HB LYS 47 -3.585 2.204 -13.298 409 2HB LYS 47 1HB LYS 47 -3.407 1.071 -14.630 410 1HG LYS 47 2HG LYS 47 -5.236 -0.284 -13.719 411 2HG LYS 47 1HG LYS 47 -5.414 0.862 -12.394 412 1HD LYS 47 2HD LYS 47 -5.763 1.532 -15.318 413 2HD LYS 47 1HD LYS 47 -7.081 1.164 -14.208 414 1HE LYS 47 2HE LYS 47 -6.406 3.096 -12.822 415 2HE LYS 47 1HE LYS 47 -5.147 3.474 -13.998 416 1HZ LYS 47 1HZ LYS 47 -6.834 3.808 -15.668 417 2HZ LYS 47 2HZ LYS 47 -7.140 4.813 -14.347 418 3HZ LYS 47 3HZ LYS 47 -8.064 3.401 -14.572 419 H GLN 48 H GLN 48 -1.494 -0.749 -14.583 420 HA GLN 48 HA GLN 48 1.148 -0.501 -13.832 421 1HB GLN 48 2HB GLN 48 0.215 -1.917 -15.686 422 2HB GLN 48 1HB GLN 48 0.144 -0.466 -16.675 423 1HG GLN 48 2HG GLN 48 2.640 -0.230 -16.238 424 2HG GLN 48 1HG GLN 48 2.550 -1.830 -15.556 425 1HE2 GLN 48 1HE2 GLN 48 2.183 -0.031 -18.511 426 2HE2 GLN 48 2HE2 GLN 48 2.322 -1.367 -19.578 427 H GLY 49 H GLY 49 2.462 1.122 -13.673 428 1HA GLY 49 2HA GLY 49 3.566 3.100 -14.289 429 2HA GLY 49 1HA GLY 49 2.262 3.438 -15.412 430 H GLU 50 H GLU 50 1.208 2.684 -12.238 431 HA GLU 50 HA GLU 50 0.497 5.478 -11.873 432 1HB GLU 50 2HB GLU 50 -0.290 2.989 -10.481 433 2HB GLU 50 1HB GLU 50 -0.588 4.502 -9.671 434 1HG GLU 50 2HG GLU 50 -1.717 5.116 -11.968 435 2HG GLU 50 1HG GLU 50 -1.770 3.362 -12.153 436 H GLN 51 H GLN 51 2.634 3.270 -10.524 437 HA GLN 51 HA GLN 51 4.393 3.411 -9.113 438 1HB GLN 51 2HB GLN 51 4.006 6.388 -9.380 439 2HB GLN 51 1HB GLN 51 5.117 5.763 -8.174 440 1HG GLN 51 2HG GLN 51 6.427 6.289 -10.056 441 2HG GLN 51 1HG GLN 51 6.281 4.541 -10.050 442 1HE2 GLN 51 1HE2 GLN 51 3.857 6.852 -11.192 443 2HE2 GLN 51 2HE2 GLN 51 3.947 6.354 -12.845 444 H ILE 52 H ILE 52 4.771 2.988 -7.144 445 HA ILE 52 HA ILE 52 2.613 3.363 -5.172 446 HB ILE 52 HB ILE 52 4.140 0.793 -5.711 447 1HG1 ILE 52 2HG1 ILE 52 1.473 1.666 -6.859 448 2HG1 ILE 52 1HG1 ILE 52 2.958 1.256 -7.697 449 1HG2 ILE 52 1HG2 ILE 52 3.148 0.959 -3.486 450 2HG2 ILE 52 2HG2 ILE 52 2.332 -0.272 -4.451 451 3HG2 ILE 52 3HG2 ILE 52 1.574 1.300 -4.201 452 1HD1 ILE 52 1HD1 ILE 52 2.775 -1.019 -7.029 453 2HD1 ILE 52 2HD1 ILE 52 1.306 -0.495 -7.856 454 3HD1 ILE 52 3HD1 ILE 52 1.324 -0.659 -6.098 455 H GLU 53 H GLU 53 3.593 2.933 -2.942 456 HA GLU 53 HA GLU 53 6.525 3.315 -2.959 457 1HB GLU 53 2HB GLU 53 4.847 3.825 -0.523 458 2HB GLU 53 1HB GLU 53 6.385 4.476 -1.032 459 1HG GLU 53 2HG GLU 53 5.448 5.931 -2.609 460 2HG GLU 53 1HG GLU 53 3.864 5.173 -2.483 461 H ILE 54 H ILE 54 7.725 1.867 -1.722 462 HA ILE 54 HA ILE 54 6.179 -0.371 -0.653 463 HB ILE 54 HB ILE 54 7.834 -1.145 -2.293 464 1HG1 ILE 54 2HG1 ILE 54 9.244 -2.670 -0.882 465 2HG1 ILE 54 1HG1 ILE 54 8.636 -1.814 0.527 466 1HG2 ILE 54 1HG2 ILE 54 9.923 0.169 -0.611 467 2HG2 ILE 54 2HG2 ILE 54 9.405 0.659 -2.224 468 3HG2 ILE 54 3HG2 ILE 54 10.222 -0.887 -1.988 469 1HD1 ILE 54 1HD1 ILE 54 6.988 -3.326 -1.456 470 2HD1 ILE 54 2HD1 ILE 54 6.399 -2.480 -0.010 471 3HD1 ILE 54 3HD1 ILE 54 7.479 -3.865 0.151 472 H ILE 55 H ILE 55 6.012 -0.607 1.390 473 HA ILE 55 HA ILE 55 7.741 1.016 3.079 474 HB ILE 55 HB ILE 55 5.829 0.760 4.828 475 1HG1 ILE 55 2HG1 ILE 55 4.543 -0.768 3.174 476 2HG1 ILE 55 1HG1 ILE 55 3.620 0.424 4.072 477 1HG2 ILE 55 1HG2 ILE 55 6.578 2.874 3.991 478 2HG2 ILE 55 2HG2 ILE 55 4.816 2.855 4.073 479 3HG2 ILE 55 3HG2 ILE 55 5.627 2.668 2.518 480 1HD1 ILE 55 1HD1 ILE 55 3.659 1.871 2.082 481 2HD1 ILE 55 2HD1 ILE 55 2.924 0.300 1.746 482 3HD1 ILE 55 3HD1 ILE 55 4.579 0.638 1.225 483 H ARG 56 H ARG 56 6.218 -2.200 2.930 484 HA ARG 56 HA ARG 56 8.459 -2.953 4.599 485 1HB ARG 56 2HB ARG 56 6.370 -2.853 6.113 486 2HB ARG 56 1HB ARG 56 5.736 -4.151 5.127 487 1HG ARG 56 2HG ARG 56 7.297 -5.642 5.726 488 2HG ARG 56 1HG ARG 56 8.421 -4.452 6.397 489 1HD ARG 56 2HD ARG 56 6.645 -4.084 8.186 490 2HD ARG 56 1HD ARG 56 5.839 -5.520 7.532 491 HE ARG 56 HE ARG 56 8.364 -6.337 7.862 492 1HH1 ARG 56 1HH1 ARG 56 5.830 -5.319 10.062 493 2HH1 ARG 56 2HH1 ARG 56 6.696 -5.712 11.483 494 1HH2 ARG 56 1HH2 ARG 56 9.564 -6.858 9.773 495 2HH2 ARG 56 2HH2 ARG 56 8.896 -6.655 11.322 496 H ILE 57 H ILE 57 9.426 -4.801 4.177 497 HA ILE 57 HA ILE 57 8.433 -6.429 1.953 498 HB ILE 57 HB ILE 57 10.887 -6.706 1.245 499 1HG1 ILE 57 2HG1 ILE 57 11.855 -5.473 3.236 500 2HG1 ILE 57 1HG1 ILE 57 12.483 -4.979 1.668 501 1HG2 ILE 57 1HG2 ILE 57 9.318 -5.653 -0.172 502 2HG2 ILE 57 2HG2 ILE 57 10.851 -4.784 -0.239 503 3HG2 ILE 57 3HG2 ILE 57 9.501 -4.124 0.685 504 1HD1 ILE 57 1HD1 ILE 57 12.065 -3.033 3.113 505 2HD1 ILE 57 2HD1 ILE 57 10.376 -3.562 3.260 506 3HD1 ILE 57 3HD1 ILE 57 10.974 -3.041 1.706 507 H THR 58 H THR 58 10.438 -6.244 4.841 508 HA THR 58 HA THR 58 10.874 -9.101 4.676 509 HB THR 58 HB THR 58 12.378 -8.626 6.699 510 HG1 THR 58 1HG THR 58 13.039 -6.140 6.185 511 1HG2 THR 58 1HG2 THR 58 14.207 -7.877 5.235 512 2HG2 THR 58 2HG2 THR 58 13.014 -7.419 4.005 513 3HG2 THR 58 3HG2 THR 58 13.204 -9.111 4.467 514 H ASP 59 H ASP 59 10.607 -10.397 6.523 515 HA ASP 59 HA ASP 59 9.244 -11.470 7.932 516 1HB ASP 59 2HB ASP 59 10.014 -9.612 9.536 517 2HB ASP 59 1HB ASP 59 8.518 -8.772 9.161 518 H ASN 60 H ASN 60 8.180 -11.799 5.954 519 HA ASN 60 HA ASN 60 5.423 -10.836 6.010 520 1HB ASN 60 2HB ASN 60 5.430 -10.515 3.561 521 2HB ASN 60 1HB ASN 60 6.565 -9.454 4.371 522 1HD2 ASN 60 1HD2 ASN 60 6.548 -10.126 1.630 523 2HD2 ASN 60 2HD2 ASN 60 8.036 -10.929 1.270 524 HA PRO 61 HA PRO 61 4.880 -15.228 6.051 525 1HB PRO 61 2HB PRO 61 2.172 -15.236 6.191 526 2HB PRO 61 1HB PRO 61 3.218 -14.848 7.562 527 1HG PRO 61 2HG PRO 61 1.773 -13.001 5.700 528 2HG PRO 61 1HG PRO 61 1.923 -12.918 7.465 529 1HD PRO 61 2HD PRO 61 3.429 -11.404 5.815 530 2HD PRO 61 1HD PRO 61 4.040 -12.013 7.366 531 H GLU 62 H GLU 62 3.266 -13.250 3.590 532 HA GLU 62 HA GLU 62 2.554 -15.687 2.121 533 1HB GLU 62 2HB GLU 62 0.852 -13.895 2.371 534 2HB GLU 62 1HB GLU 62 1.907 -12.789 1.509 535 1HG GLU 62 2HG GLU 62 0.170 -13.574 0.043 536 2HG GLU 62 1HG GLU 62 1.723 -14.210 -0.491 537 H GLY 63 H GLY 63 4.990 -13.391 2.293 538 1HA GLY 63 2HA GLY 63 6.987 -13.387 1.068 539 2HA GLY 63 1HA GLY 63 6.225 -14.425 -0.130 540 H LYS 64 H LYS 64 4.081 -12.080 0.481 541 HA LYS 64 HA LYS 64 4.945 -10.563 -1.834 542 1HB LYS 64 2HB LYS 64 2.685 -9.743 -1.996 543 2HB LYS 64 1HB LYS 64 2.643 -11.502 -1.918 544 1HG LYS 64 2HG LYS 64 2.064 -11.030 0.582 545 2HG LYS 64 1HG LYS 64 1.731 -9.410 0.000 546 1HD LYS 64 2HD LYS 64 0.400 -11.929 -1.060 547 2HD LYS 64 1HD LYS 64 -0.365 -10.677 -0.078 548 1HE LYS 64 2HE LYS 64 -0.041 -9.051 -1.862 549 2HE LYS 64 1HE LYS 64 0.827 -10.235 -2.820 550 1HZ LYS 64 1HZ LYS 64 -1.229 -11.508 -3.037 551 2HZ LYS 64 2HZ LYS 64 -1.362 -9.957 -3.626 552 3HZ LYS 64 3HZ LYS 64 -2.097 -10.340 -2.150 553 H TRP 65 H TRP 65 4.428 -8.205 -1.685 554 HA TRP 65 HA TRP 65 5.900 -7.207 0.671 555 1HB TRP 65 2HB TRP 65 5.644 -6.196 -2.143 556 2HB TRP 65 1HB TRP 65 6.320 -5.197 -0.874 557 HD1 TRP 65 HD TRP 65 7.736 -8.115 0.286 558 HE1 TRP 65 1HE TRP 65 9.971 -8.736 -0.776 559 HE3 TRP 65 3HE TRP 65 7.494 -5.176 -3.964 560 HZ2 TRP 65 2HZ TRP 65 11.444 -8.090 -3.099 561 HZ3 TRP 65 3HZ TRP 65 9.358 -5.268 -5.512 562 HH2 TRP 65 HH TRP 65 11.295 -6.684 -5.102 563 H LEU 66 H LEU 66 5.431 -4.764 1.047 564 HA LEU 66 HA LEU 66 2.505 -4.426 1.122 565 1HB LEU 66 2HB LEU 66 3.595 -4.683 3.340 566 2HB LEU 66 1HB LEU 66 4.599 -3.289 2.979 567 HG LEU 66 HG LEU 66 2.562 -1.891 2.864 568 1HD1 LEU 66 1HD1 LEU 66 0.976 -3.615 2.307 569 2HD1 LEU 66 2HD1 LEU 66 0.499 -2.778 3.798 570 3HD1 LEU 66 3HD1 LEU 66 1.244 -4.379 3.873 571 1HD2 LEU 66 1HD2 LEU 66 3.890 -2.008 4.893 572 2HD2 LEU 66 2HD2 LEU 66 2.960 -3.409 5.429 573 3HD2 LEU 66 3HD2 LEU 66 2.175 -1.835 5.264 574 H GLY 67 H GLY 67 1.955 -3.009 -0.461 575 1HA GLY 67 2HA GLY 67 3.783 -0.772 -0.916 576 2HA GLY 67 1HA GLY 67 2.740 -1.466 -2.163 577 H ARG 68 H ARG 68 2.843 1.257 -1.409 578 HA ARG 68 HA ARG 68 0.046 1.629 -0.546 579 1HB ARG 68 2HB ARG 68 1.367 2.119 1.372 580 2HB ARG 68 1HB ARG 68 2.445 3.186 0.474 581 1HG ARG 68 2HG ARG 68 0.345 4.618 0.112 582 2HG ARG 68 1HG ARG 68 -0.412 3.636 1.375 583 1HD ARG 68 2HD ARG 68 1.345 4.215 2.905 584 2HD ARG 68 1HD ARG 68 2.192 5.145 1.669 585 HE ARG 68 HE ARG 68 -0.212 5.909 3.153 586 1HH1 ARG 68 1HH1 ARG 68 2.123 6.757 0.583 587 2HH1 ARG 68 2HH1 ARG 68 1.702 8.385 0.548 588 1HH2 ARG 68 1HH2 ARG 68 -0.776 8.229 3.095 589 2HH2 ARG 68 2HH2 ARG 68 0.033 9.224 1.982 590 H THR 69 H THR 69 -0.974 3.269 -1.309 591 HA THR 69 HA THR 69 0.058 4.496 -3.793 592 HB THR 69 HB THR 69 -2.814 4.352 -2.779 593 HG1 THR 69 1HG THR 69 -1.215 2.475 -3.830 594 1HG2 THR 69 1HG2 THR 69 -3.416 4.792 -5.127 595 2HG2 THR 69 2HG2 THR 69 -1.708 4.896 -5.551 596 3HG2 THR 69 3HG2 THR 69 -2.427 6.101 -4.482 597 H ALA 70 H ALA 70 -0.577 6.852 -4.081 598 HA ALA 70 HA ALA 70 0.411 8.483 -2.107 599 1HB ALA 70 1HB ALA 70 0.205 9.079 -4.475 600 2HB ALA 70 2HB ALA 70 -0.404 10.340 -3.404 601 3HB ALA 70 3HB ALA 70 -1.533 9.286 -4.256 602 H ARG 71 H ARG 71 -2.874 7.377 -2.411 603 HA ARG 71 HA ARG 71 -3.866 9.366 -0.528 604 1HB ARG 71 2HB ARG 71 -6.072 8.385 -0.874 605 2HB ARG 71 1HB ARG 71 -5.255 8.728 -2.397 606 1HG ARG 71 2HG ARG 71 -5.008 6.530 -2.948 607 2HG ARG 71 1HG ARG 71 -5.060 5.989 -1.265 608 1HD ARG 71 2HD ARG 71 -7.377 6.404 -1.131 609 2HD ARG 71 1HD ARG 71 -7.425 7.148 -2.737 610 HE ARG 71 HE ARG 71 -6.918 4.943 -3.629 611 1HH1 ARG 71 1HH1 ARG 71 -7.974 4.988 -0.229 612 2HH1 ARG 71 2HH1 ARG 71 -8.753 3.477 -0.290 613 1HH2 ARG 71 1HH2 ARG 71 -8.010 2.818 -3.710 614 2HH2 ARG 71 2HH2 ARG 71 -8.791 2.207 -2.349 615 H GLY 72 H GLY 72 -2.115 6.682 -0.070 616 1HA GLY 72 2HA GLY 72 -1.703 5.444 1.779 617 2HA GLY 72 1HA GLY 72 -2.961 6.287 2.650 618 H SER 73 H SER 73 -2.124 3.555 0.741 619 HA SER 73 HA SER 73 -4.470 2.164 1.341 620 1HB SER 73 2HB SER 73 -3.557 2.434 -1.496 621 2HB SER 73 1HB SER 73 -5.036 1.684 -0.915 622 HG SER 73 HG SER 73 -5.620 3.818 -0.146 623 H TYR 74 H TYR 74 -3.551 0.452 1.813 624 HA TYR 74 HA TYR 74 -0.791 -0.090 0.973 625 1HB TYR 74 2HB TYR 74 -2.280 -0.411 3.382 626 2HB TYR 74 1HB TYR 74 -0.796 -1.386 3.219 627 HD1 TYR 74 1HD TYR 74 -2.361 1.860 3.926 628 HD2 TYR 74 2HD TYR 74 1.361 -0.131 3.474 629 HE1 TYR 74 1HE TYR 74 -1.234 3.708 5.084 630 HE2 TYR 74 2HE TYR 74 2.501 1.714 4.615 631 HH TYR 74 HH TYR 74 2.081 4.203 5.079 632 H GLY 75 H GLY 75 -1.472 -1.391 -0.650 633 1HA GLY 75 2HA GLY 75 -2.935 -3.726 0.206 634 2HA GLY 75 1HA GLY 75 -2.803 -3.142 -1.458 635 H TYR 76 H TYR 76 -1.469 -4.734 0.992 636 HA TYR 76 HA TYR 76 1.071 -5.475 0.403 637 1HB TYR 76 2HB TYR 76 -0.540 -7.898 0.784 638 2HB TYR 76 1HB TYR 76 0.642 -7.199 1.883 639 HD1 TYR 76 1HD TYR 76 -0.133 -5.647 3.734 640 HD2 TYR 76 2HD TYR 76 -2.849 -7.291 0.900 641 HE1 TYR 76 1HE TYR 76 -2.023 -4.860 5.054 642 HE2 TYR 76 2HE TYR 76 -4.723 -6.512 2.226 643 HH TYR 76 HH TYR 76 -4.396 -4.274 4.664 644 H ILE 77 H ILE 77 1.776 -5.514 -1.591 645 HA ILE 77 HA ILE 77 0.420 -6.456 -3.894 646 HB ILE 77 HB ILE 77 2.756 -6.033 -4.762 647 1HG1 ILE 77 2HG1 ILE 77 2.856 -4.482 -2.176 648 2HG1 ILE 77 1HG1 ILE 77 3.908 -5.791 -2.683 649 1HG2 ILE 77 1HG2 ILE 77 0.929 -3.829 -3.765 650 2HG2 ILE 77 2HG2 ILE 77 0.792 -4.691 -5.314 651 3HG2 ILE 77 3HG2 ILE 77 2.165 -3.608 -5.010 652 1HD1 ILE 77 1HD1 ILE 77 4.780 -4.398 -4.449 653 2HD1 ILE 77 2HD1 ILE 77 5.001 -3.657 -2.855 654 3HD1 ILE 77 3HD1 ILE 77 3.719 -3.083 -3.942 655 H LYS 78 H LYS 78 0.950 -8.269 -5.049 656 HA LYS 78 HA LYS 78 3.030 -9.824 -4.019 657 1HB LYS 78 2HB LYS 78 2.608 -11.244 -5.983 658 2HB LYS 78 1HB LYS 78 1.107 -10.918 -5.128 659 1HG LYS 78 2HG LYS 78 0.525 -9.237 -6.747 660 2HG LYS 78 1HG LYS 78 2.141 -9.494 -7.455 661 1HD LYS 78 2HD LYS 78 1.553 -11.653 -8.226 662 2HD LYS 78 1HD LYS 78 0.091 -11.692 -7.238 663 1HE LYS 78 2HE LYS 78 0.553 -9.788 -9.522 664 2HE LYS 78 1HE LYS 78 -0.322 -11.313 -9.663 665 1HZ LYS 78 1HZ LYS 78 -1.853 -10.546 -8.008 666 2HZ LYS 78 2HZ LYS 78 -1.864 -9.536 -9.352 667 3HZ LYS 78 3HZ LYS 78 -1.144 -9.022 -7.895 668 H THR 79 H THR 79 4.695 -9.310 -4.408 669 HA THR 79 HA THR 79 6.286 -7.407 -5.416 670 HB THR 79 HB THR 79 8.169 -8.958 -5.579 671 HG1 THR 79 1HG THR 79 7.486 -10.668 -6.750 672 1HG2 THR 79 1HG2 THR 79 7.267 -8.567 -3.321 673 2HG2 THR 79 2HG2 THR 79 7.888 -10.208 -3.461 674 3HG2 THR 79 3HG2 THR 79 6.154 -9.911 -3.523 675 H THR 80 H THR 80 4.851 -9.864 -7.342 676 HA THR 80 HA THR 80 6.269 -9.672 -9.766 677 HB THR 80 HB THR 80 4.787 -11.299 -10.525 678 HG1 THR 80 1HG THR 80 2.851 -10.401 -10.893 679 1HG2 THR 80 1HG2 THR 80 3.903 -11.084 -7.664 680 2HG2 THR 80 2HG2 THR 80 5.330 -11.959 -8.182 681 3HG2 THR 80 3HG2 THR 80 3.707 -12.507 -8.667 682 H ALA 81 H ALA 81 3.608 -7.788 -8.415 683 HA ALA 81 HA ALA 81 2.827 -6.756 -10.985 684 1HB ALA 81 1HB ALA 81 1.141 -7.397 -9.346 685 2HB ALA 81 2HB ALA 81 1.034 -5.685 -9.761 686 3HB ALA 81 3HB ALA 81 1.764 -6.181 -8.232 687 H VAL 82 H VAL 82 5.202 -6.008 -8.814 688 HA VAL 82 HA VAL 82 5.221 -3.261 -9.807 689 HB VAL 82 HB VAL 82 6.122 -2.438 -7.668 690 1HG1 VAL 82 1HG1 VAL 82 3.780 -2.124 -8.148 691 2HG1 VAL 82 2HG1 VAL 82 4.032 -2.387 -6.430 692 3HG1 VAL 82 3HG1 VAL 82 3.394 -3.689 -7.434 693 1HG2 VAL 82 1HG2 VAL 82 5.849 -3.768 -5.629 694 2HG2 VAL 82 2HG2 VAL 82 6.973 -4.542 -6.753 695 3HG2 VAL 82 3HG2 VAL 82 5.316 -5.137 -6.599 696 H GLU 83 H GLU 83 7.206 -2.285 -9.830 697 HA GLU 83 HA GLU 83 9.550 -4.009 -9.467 698 1HB GLU 83 2HB GLU 83 9.030 -1.906 -11.558 699 2HB GLU 83 1HB GLU 83 10.608 -2.645 -11.293 700 1HG GLU 83 2HG GLU 83 9.565 -4.835 -11.873 701 2HG GLU 83 1HG GLU 83 8.097 -3.956 -12.301 702 H ILE 84 H ILE 84 10.655 -3.134 -7.785 703 HA ILE 84 HA ILE 84 9.879 -0.502 -6.974 704 HB ILE 84 HB ILE 84 11.338 -0.673 -5.094 705 1HG1 ILE 84 2HG1 ILE 84 12.384 -3.324 -6.043 706 2HG1 ILE 84 1HG1 ILE 84 13.184 -1.821 -6.496 707 1HG2 ILE 84 1HG2 ILE 84 9.994 -3.301 -5.643 708 2HG2 ILE 84 2HG2 ILE 84 9.252 -1.871 -4.919 709 3HG2 ILE 84 3HG2 ILE 84 10.529 -2.744 -4.057 710 1HD1 ILE 84 1HD1 ILE 84 14.206 -2.813 -4.542 711 2HD1 ILE 84 2HD1 ILE 84 12.634 -2.714 -3.693 712 3HD1 ILE 84 3HD1 ILE 84 13.464 -1.247 -4.205 713 H ASP 85 H ASP 85 11.337 1.192 -6.577 714 HA ASP 85 HA ASP 85 13.353 1.485 -8.640 715 1HB ASP 85 2HB ASP 85 11.868 3.412 -7.972 716 2HB ASP 85 1HB ASP 85 12.589 3.360 -6.370 717 H TYR 86 H TYR 86 15.408 1.049 -8.270 718 HA TYR 86 HA TYR 86 15.887 -0.679 -6.148 719 1HB TYR 86 2HB TYR 86 17.850 0.459 -8.119 720 2HB TYR 86 1HB TYR 86 18.188 -0.884 -7.020 721 HD1 TYR 86 1HD TYR 86 16.829 0.028 -10.192 722 HD2 TYR 86 2HD TYR 86 16.615 -2.922 -7.136 723 HE1 TYR 86 1HE TYR 86 15.763 -1.523 -11.771 724 HE2 TYR 86 2HE TYR 86 15.562 -4.489 -8.705 725 HH TYR 86 HH TYR 86 15.565 -3.951 -12.039 726 H ASP 87 H ASP 87 16.891 2.662 -6.428 727 HA ASP 87 HA ASP 87 17.356 2.512 -3.561 728 1HB ASP 87 2HB ASP 87 19.608 2.452 -4.592 729 2HB ASP 87 1HB ASP 87 19.244 3.945 -5.450 730 H SER 88 H SER 88 18.017 5.214 -5.657 731 HA SER 88 HA SER 88 15.671 6.487 -5.999 732 1HB SER 88 2HB SER 88 15.485 6.498 -3.445 733 2HB SER 88 1HB SER 88 16.930 7.509 -3.415 734 HG SER 88 HG SER 88 15.848 9.152 -4.187 735 H LEU 89 H LEU 89 16.249 7.972 -7.427 736 HA LEU 89 HA LEU 89 18.887 9.227 -7.130 737 1HB LEU 89 2HB LEU 89 17.623 8.270 -9.704 738 2HB LEU 89 1HB LEU 89 18.993 9.342 -9.638 739 HG LEU 89 HG LEU 89 19.854 7.275 -10.174 740 1HD1 LEU 89 1HD1 LEU 89 20.280 7.598 -7.238 741 2HD1 LEU 89 2HD1 LEU 89 21.194 8.346 -8.549 742 3HD1 LEU 89 3HD1 LEU 89 21.257 6.598 -8.312 743 1HD2 LEU 89 1HD2 LEU 89 17.954 5.872 -9.690 744 2HD2 LEU 89 2HD2 LEU 89 18.237 6.042 -7.959 745 3HD2 LEU 89 3HD2 LEU 89 19.408 5.188 -8.964 746 H LYS 90 H LYS 90 19.034 11.150 -8.571 747 HA LYS 90 HA LYS 90 16.567 12.724 -8.505 748 1HB LYS 90 2HB LYS 90 18.531 13.690 -7.341 749 2HB LYS 90 1HB LYS 90 19.478 13.540 -8.809 750 1HG LYS 90 2HG LYS 90 18.071 15.180 -9.913 751 2HG LYS 90 1HG LYS 90 17.057 15.294 -8.471 752 1HD LYS 90 2HD LYS 90 18.936 16.131 -7.186 753 2HD LYS 90 1HD LYS 90 20.000 15.948 -8.582 754 1HE LYS 90 2HE LYS 90 18.699 17.595 -9.807 755 2HE LYS 90 1HE LYS 90 17.586 17.747 -8.449 756 1HZ LYS 90 1HZ LYS 90 20.479 18.464 -8.397 757 2HZ LYS 90 2HZ LYS 90 19.404 18.572 -7.103 758 3HZ LYS 90 3HZ LYS 90 19.166 19.530 -8.480 759 H LEU 91 H LEU 91 19.217 11.500 -10.410 760 HA LEU 91 HA LEU 91 17.962 12.299 -12.900 761 1HB LEU 91 2HB LEU 91 20.449 12.339 -12.647 762 2HB LEU 91 1HB LEU 91 20.426 10.613 -12.360 763 HG LEU 91 HG LEU 91 19.471 10.332 -14.663 764 1HD1 LEU 91 1HD1 LEU 91 18.575 12.556 -14.969 765 2HD1 LEU 91 2HD1 LEU 91 19.727 12.164 -16.245 766 3HD1 LEU 91 3HD1 LEU 91 20.202 13.237 -14.926 767 1HD2 LEU 91 1HD2 LEU 91 21.826 9.935 -14.193 768 2HD2 LEU 91 2HD2 LEU 91 22.179 11.644 -14.448 769 3HD2 LEU 91 3HD2 LEU 91 21.617 10.646 -15.793 770 H LYS 92 H LYS 92 16.268 11.108 -13.415 771 HA LYS 92 HA LYS 92 15.841 8.478 -12.275 772 1HB LYS 92 2HB LYS 92 14.092 10.311 -12.461 773 2HB LYS 92 1HB LYS 92 14.061 10.003 -14.189 774 1HG LYS 92 2HG LYS 92 13.293 7.750 -13.802 775 2HG LYS 92 1HG LYS 92 13.423 7.982 -12.060 776 1HD LYS 92 2HD LYS 92 11.749 9.805 -12.232 777 2HD LYS 92 1HD LYS 92 11.562 9.417 -13.947 778 1HE LYS 92 2HE LYS 92 9.819 8.348 -12.623 779 2HE LYS 92 1HE LYS 92 10.882 7.146 -13.356 780 1HZ LYS 92 1HZ LYS 92 12.051 6.960 -11.203 781 2HZ LYS 92 2HZ LYS 92 10.423 6.592 -11.050 782 3HZ LYS 92 3HZ LYS 92 11.000 8.080 -10.530 783 H LYS 93 H LYS 93 17.566 9.454 -14.678 784 HA LYS 93 HA LYS 93 16.956 7.618 -16.782 785 1HB LYS 93 2HB LYS 93 18.013 9.756 -17.250 786 2HB LYS 93 1HB LYS 93 19.331 9.394 -16.169 787 1HG LYS 93 2HG LYS 93 18.907 7.713 -18.608 788 2HG LYS 93 1HG LYS 93 19.651 9.306 -18.747 789 1HD LYS 93 2HD LYS 93 21.324 8.600 -17.044 790 2HD LYS 93 1HD LYS 93 20.609 6.988 -17.073 791 1HE LYS 93 2HE LYS 93 22.603 7.117 -18.478 792 2HE LYS 93 1HE LYS 93 21.161 6.764 -19.428 793 1HZ LYS 93 1HZ LYS 93 21.111 8.992 -20.234 794 2HZ LYS 93 2HZ LYS 93 22.712 8.475 -20.383 795 3HZ LYS 93 3HZ LYS 93 22.266 9.497 -19.124 796 H ASP 94 H ASP 94 18.573 7.489 -13.795 797 HA ASP 94 HA ASP 94 19.735 5.974 -12.638 798 1HB ASP 94 2HB ASP 94 18.637 4.026 -14.686 799 2HB ASP 94 1HB ASP 94 19.657 3.517 -13.354 800 H LEU 95 H LEU 95 21.596 6.949 -12.961 801 HA LEU 95 HA LEU 95 23.625 5.324 -14.167 802 1HB LEU 95 2HB LEU 95 22.874 6.689 -16.112 803 2HB LEU 95 1HB LEU 95 23.209 8.143 -15.197 804 HG LEU 95 HG LEU 95 25.611 7.488 -15.126 805 1HD1 LEU 95 1HD1 LEU 95 24.751 5.337 -17.051 806 2HD1 LEU 95 2HD1 LEU 95 25.350 5.090 -15.410 807 3HD1 LEU 95 3HD1 LEU 95 26.416 5.761 -16.645 808 1HD2 LEU 95 1HD2 LEU 95 24.791 9.074 -16.788 809 2HD2 LEU 95 2HD2 LEU 95 24.393 7.744 -17.875 810 3HD2 LEU 95 3HD2 LEU 95 26.076 8.072 -17.461 811 H GLU 96 H GLU 96 23.120 8.720 -13.235 812 HA GLU 96 HA GLU 96 24.886 8.355 -10.971 813 1HB GLU 96 2HB GLU 96 25.190 10.541 -13.041 814 2HB GLU 96 1HB GLU 96 26.067 10.448 -11.525 815 1HG GLU 96 2HG GLU 96 27.115 8.368 -12.278 816 2HG GLU 96 1HG GLU 96 26.248 8.504 -13.811 Start of MODEL 20 1 1H GLU 1 1HT GLU 1 -33.997 9.187 3.732 2 2H GLU 1 2HT GLU 1 -33.162 9.054 2.269 3 3H GLU 1 3HT GLU 1 -34.172 10.391 2.521 4 HA GLU 1 HA GLU 1 -31.905 10.997 2.737 5 1HB GLU 1 2HB GLU 1 -33.425 12.128 4.284 6 2HB GLU 1 1HB GLU 1 -33.286 10.803 5.431 7 1HG GLU 1 2HG GLU 1 -30.884 11.319 5.692 8 2HG GLU 1 1HG GLU 1 -31.081 12.688 4.604 9 H LYS 2 H LYS 2 -29.921 10.377 3.056 10 HA LYS 2 HA LYS 2 -29.300 8.369 5.060 11 1HB LYS 2 2HB LYS 2 -27.781 7.191 3.551 12 2HB LYS 2 1HB LYS 2 -29.393 7.174 2.865 13 1HG LYS 2 2HG LYS 2 -28.780 8.908 1.294 14 2HG LYS 2 1HG LYS 2 -27.186 9.050 2.042 15 1HD LYS 2 2HD LYS 2 -26.777 6.663 1.474 16 2HD LYS 2 1HD LYS 2 -28.306 6.658 0.590 17 1HE LYS 2 2HE LYS 2 -27.471 8.403 -0.886 18 2HE LYS 2 1HE LYS 2 -25.963 8.470 0.026 19 1HZ LYS 2 1HZ LYS 2 -25.621 6.114 -0.576 20 2HZ LYS 2 2HZ LYS 2 -25.579 7.140 -1.884 21 3HZ LYS 2 3HZ LYS 2 -26.962 6.198 -1.605 22 H LYS 3 H LYS 3 -26.907 8.535 5.559 23 HA LYS 3 HA LYS 3 -26.174 11.341 5.133 24 1HB LYS 3 2HB LYS 3 -25.491 9.618 7.523 25 2HB LYS 3 1HB LYS 3 -24.935 11.267 7.280 26 1HG LYS 3 2HG LYS 3 -27.782 10.344 7.712 27 2HG LYS 3 1HG LYS 3 -26.791 11.312 8.804 28 1HD LYS 3 2HD LYS 3 -27.717 12.175 6.054 29 2HD LYS 3 1HD LYS 3 -28.458 12.666 7.576 30 1HE LYS 3 2HE LYS 3 -26.536 13.901 8.211 31 2HE LYS 3 1HE LYS 3 -25.561 13.173 6.940 32 1HZ LYS 3 1HZ LYS 3 -27.876 14.992 6.456 33 2HZ LYS 3 2HZ LYS 3 -26.865 14.312 5.297 34 3HZ LYS 3 3HZ LYS 3 -26.246 15.435 6.386 35 H GLU 4 H GLU 4 -24.230 11.911 4.444 36 HA GLU 4 HA GLU 4 -22.633 9.839 3.242 37 1HB GLU 4 2HB GLU 4 -22.491 12.856 3.200 38 2HB GLU 4 1HB GLU 4 -21.234 11.856 2.504 39 1HG GLU 4 2HG GLU 4 -22.771 12.686 0.812 40 2HG GLU 4 1HG GLU 4 -22.819 10.932 0.913 41 H GLN 5 H GLN 5 -20.631 9.315 3.758 42 HA GLN 5 HA GLN 5 -18.713 8.986 4.916 43 1HB GLN 5 2HB GLN 5 -18.715 11.618 4.790 44 2HB GLN 5 1HB GLN 5 -19.205 11.550 6.461 45 1HG GLN 5 2HG GLN 5 -16.598 10.595 5.281 46 2HG GLN 5 1HG GLN 5 -16.853 12.010 6.293 47 1HE2 GLN 5 1HE2 GLN 5 -16.344 8.654 6.170 48 2HE2 GLN 5 2HE2 GLN 5 -16.327 8.363 7.869 49 H LYS 6 H LYS 6 -20.566 10.701 7.358 50 HA LYS 6 HA LYS 6 -21.158 10.296 9.460 51 1HB LYS 6 2HB LYS 6 -22.942 9.118 8.148 52 2HB LYS 6 1HB LYS 6 -22.092 7.607 8.453 53 1HG LYS 6 2HG LYS 6 -23.897 7.851 10.025 54 2HG LYS 6 1HG LYS 6 -22.357 7.982 10.877 55 1HD LYS 6 2HD LYS 6 -22.567 10.471 10.702 56 2HD LYS 6 1HD LYS 6 -24.193 10.231 10.064 57 1HE LYS 6 2HE LYS 6 -23.199 9.318 12.763 58 2HE LYS 6 1HE LYS 6 -24.199 10.736 12.466 59 1HZ LYS 6 1HZ LYS 6 -25.962 9.283 11.679 60 2HZ LYS 6 2HZ LYS 6 -25.484 8.814 13.228 61 3HZ LYS 6 3HZ LYS 6 -24.986 7.923 11.910 62 H GLU 7 H GLU 7 -20.317 6.871 8.939 63 HA GLU 7 HA GLU 7 -18.896 6.830 11.425 64 1HB GLU 7 2HB GLU 7 -19.089 4.787 9.211 65 2HB GLU 7 1HB GLU 7 -18.057 4.555 10.605 66 1HG GLU 7 2HG GLU 7 -20.005 3.322 11.009 67 2HG GLU 7 1HG GLU 7 -20.125 4.751 12.024 68 H LYS 8 H LYS 8 -16.878 7.318 11.784 69 HA LYS 8 HA LYS 8 -15.300 8.608 9.893 70 1HB LYS 8 2HB LYS 8 -14.506 7.378 12.528 71 2HB LYS 8 1HB LYS 8 -13.437 8.379 11.559 72 1HG LYS 8 2HG LYS 8 -14.956 10.246 11.753 73 2HG LYS 8 1HG LYS 8 -16.099 9.248 12.647 74 1HD LYS 8 2HD LYS 8 -14.494 8.999 14.454 75 2HD LYS 8 1HD LYS 8 -13.301 9.928 13.541 76 1HE LYS 8 2HE LYS 8 -14.403 11.316 15.236 77 2HE LYS 8 1HE LYS 8 -14.748 11.889 13.608 78 1HZ LYS 8 1HZ LYS 8 -16.724 11.900 15.014 79 2HZ LYS 8 2HZ LYS 8 -16.587 10.234 15.272 80 3HZ LYS 8 3HZ LYS 8 -16.922 10.835 13.727 81 H GLU 9 H GLU 9 -15.062 5.263 11.069 82 HA GLU 9 HA GLU 9 -13.844 3.479 10.404 83 1HB GLU 9 2HB GLU 9 -14.117 4.796 7.670 84 2HB GLU 9 1HB GLU 9 -13.653 3.126 7.944 85 1HG GLU 9 2HG GLU 9 -16.314 4.355 8.648 86 2HG GLU 9 1HG GLU 9 -15.988 3.324 7.260 87 H LYS 10 H LYS 10 -12.411 5.360 11.567 88 HA LYS 10 HA LYS 10 -10.215 6.304 9.954 89 1HB LYS 10 2HB LYS 10 -11.223 7.648 11.807 90 2HB LYS 10 1HB LYS 10 -10.601 6.473 12.953 91 1HG LYS 10 2HG LYS 10 -8.300 7.009 12.166 92 2HG LYS 10 1HG LYS 10 -8.991 8.282 11.163 93 1HD LYS 10 2HD LYS 10 -9.891 9.363 13.177 94 2HD LYS 10 1HD LYS 10 -9.178 8.089 14.169 95 1HE LYS 10 2HE LYS 10 -7.675 10.030 12.406 96 2HE LYS 10 1HE LYS 10 -7.778 10.093 14.162 97 1HZ LYS 10 1HZ LYS 10 -6.521 7.885 12.597 98 2HZ LYS 10 2HZ LYS 10 -6.543 8.005 14.288 99 3HZ LYS 10 3HZ LYS 10 -5.701 9.119 13.370 100 H LYS 11 H LYS 11 -10.890 3.391 11.489 101 HA LYS 11 HA LYS 11 -8.040 3.002 11.923 102 1HB LYS 11 2HB LYS 11 -9.529 2.685 13.925 103 2HB LYS 11 1HB LYS 11 -10.225 1.292 13.102 104 1HG LYS 11 2HG LYS 11 -8.495 0.607 14.678 105 2HG LYS 11 1HG LYS 11 -8.018 0.239 13.014 106 1HD LYS 11 2HD LYS 11 -6.744 2.360 12.956 107 2HD LYS 11 1HD LYS 11 -7.139 2.609 14.652 108 1HE LYS 11 2HE LYS 11 -5.952 0.556 15.224 109 2HE LYS 11 1HE LYS 11 -5.576 0.301 13.517 110 1HZ LYS 11 1HZ LYS 11 -4.684 2.569 15.204 111 2HZ LYS 11 2HZ LYS 11 -4.421 2.440 13.536 112 3HZ LYS 11 3HZ LYS 11 -3.705 1.326 14.587 113 H GLU 12 H GLU 12 -7.280 2.324 10.090 114 HA GLU 12 HA GLU 12 -8.475 -0.030 8.878 115 1HB GLU 12 2HB GLU 12 -6.288 0.634 7.285 116 2HB GLU 12 1HB GLU 12 -7.959 1.028 6.942 117 1HG GLU 12 2HG GLU 12 -6.523 2.969 6.653 118 2HG GLU 12 1HG GLU 12 -7.667 3.229 7.964 119 H GLN 13 H GLN 13 -7.961 -1.314 10.539 120 HA GLN 13 HA GLN 13 -5.213 -1.542 11.460 121 1HB GLN 13 2HB GLN 13 -7.099 -1.230 13.002 122 2HB GLN 13 1HB GLN 13 -7.783 -2.740 12.453 123 1HG GLN 13 2HG GLN 13 -5.881 -3.938 13.412 124 2HG GLN 13 1HG GLN 13 -5.199 -2.399 13.959 125 1HE2 GLN 13 1HE2 GLN 13 -5.360 -2.947 16.164 126 2HE2 GLN 13 2HE2 GLN 13 -6.892 -2.997 16.953 127 H GLU 14 H GLU 14 -7.186 -3.003 9.221 128 HA GLU 14 HA GLU 14 -6.673 -5.742 9.690 129 1HB GLU 14 2HB GLU 14 -7.471 -4.400 7.113 130 2HB GLU 14 1HB GLU 14 -7.443 -6.138 7.370 131 1HG GLU 14 2HG GLU 14 -9.081 -5.844 9.196 132 2HG GLU 14 1HG GLU 14 -9.174 -4.134 8.784 133 H ILE 15 H ILE 15 -4.992 -3.388 7.731 134 HA ILE 15 HA ILE 15 -3.187 -5.266 6.606 135 HB ILE 15 HB ILE 15 -1.730 -3.388 5.986 136 1HG1 ILE 15 2HG1 ILE 15 -3.527 -1.432 7.313 137 2HG1 ILE 15 1HG1 ILE 15 -2.324 -2.257 8.301 138 1HG2 ILE 15 1HG2 ILE 15 -4.642 -2.693 5.667 139 2HG2 ILE 15 2HG2 ILE 15 -3.713 -3.773 4.635 140 3HG2 ILE 15 3HG2 ILE 15 -3.312 -2.057 4.696 141 1HD1 ILE 15 1HD1 ILE 15 -1.492 -0.155 7.477 142 2HD1 ILE 15 2HD1 ILE 15 -1.762 -0.722 5.801 143 3HD1 ILE 15 3HD1 ILE 15 -0.597 -1.537 6.843 144 H LYS 16 H LYS 16 -3.254 -3.646 9.692 145 HA LYS 16 HA LYS 16 -0.545 -4.313 10.405 146 1HB LYS 16 2HB LYS 16 -2.821 -2.988 11.834 147 2HB LYS 16 1HB LYS 16 -1.540 -3.692 12.799 148 1HG LYS 16 2HG LYS 16 -1.215 -1.290 12.461 149 2HG LYS 16 1HG LYS 16 0.094 -2.221 11.745 150 1HD LYS 16 2HD LYS 16 -0.930 -1.935 9.538 151 2HD LYS 16 1HD LYS 16 -2.248 -1.022 10.272 152 1HE LYS 16 2HE LYS 16 0.652 -0.198 10.466 153 2HE LYS 16 1HE LYS 16 -0.418 0.348 9.182 154 1HZ LYS 16 1HZ LYS 16 -0.188 1.908 11.055 155 2HZ LYS 16 2HZ LYS 16 -1.001 0.809 12.070 156 3HZ LYS 16 3HZ LYS 16 -1.774 1.456 10.715 157 H LYS 17 H LYS 17 -3.334 -5.962 10.174 158 HA LYS 17 HA LYS 17 -2.592 -8.000 12.143 159 1HB LYS 17 2HB LYS 17 -4.941 -7.785 10.260 160 2HB LYS 17 1HB LYS 17 -4.704 -9.058 11.444 161 1HG LYS 17 2HG LYS 17 -4.936 -7.503 13.242 162 2HG LYS 17 1HG LYS 17 -4.994 -6.148 12.108 163 1HD LYS 17 2HD LYS 17 -7.046 -6.995 11.155 164 2HD LYS 17 1HD LYS 17 -6.968 -8.416 12.200 165 1HE LYS 17 2HE LYS 17 -7.224 -7.036 14.155 166 2HE LYS 17 1HE LYS 17 -7.165 -5.577 13.168 167 1HZ LYS 17 1HZ LYS 17 -9.255 -7.674 12.895 168 2HZ LYS 17 2HZ LYS 17 -9.211 -6.123 12.164 169 3HZ LYS 17 3HZ LYS 17 -9.401 -6.257 13.814 170 H LYS 18 H LYS 18 -2.657 -7.279 8.757 171 HA LYS 18 HA LYS 18 -2.322 -10.007 7.924 172 1HB LYS 18 2HB LYS 18 -3.480 -7.932 6.751 173 2HB LYS 18 1HB LYS 18 -1.874 -7.757 6.061 174 1HG LYS 18 2HG LYS 18 -3.180 -9.048 4.550 175 2HG LYS 18 1HG LYS 18 -2.024 -10.142 5.318 176 1HD LYS 18 2HD LYS 18 -4.270 -11.136 5.226 177 2HD LYS 18 1HD LYS 18 -3.741 -10.874 6.891 178 1HE LYS 18 2HE LYS 18 -5.030 -8.751 6.916 179 2HE LYS 18 1HE LYS 18 -5.625 -9.122 5.300 180 1HZ LYS 18 1HZ LYS 18 -6.076 -10.744 7.740 181 2HZ LYS 18 2HZ LYS 18 -6.660 -11.114 6.192 182 3HZ LYS 18 3HZ LYS 18 -7.218 -9.738 6.998 183 H PHE 19 H PHE 19 -0.343 -7.015 7.272 184 HA PHE 19 HA PHE 19 1.900 -8.805 6.862 185 1HB PHE 19 2HB PHE 19 1.235 -6.546 5.532 186 2HB PHE 19 1HB PHE 19 2.198 -5.801 6.807 187 HD1 PHE 19 1HD PHE 19 2.261 -7.123 3.591 188 HD2 PHE 19 2HD PHE 19 4.561 -6.962 7.157 189 HE1 PHE 19 1HE PHE 19 4.300 -7.555 2.296 190 HE2 PHE 19 2HE PHE 19 6.594 -7.387 5.859 191 HZ PHE 19 HZ PHE 19 6.491 -7.659 3.440 192 H LYS 20 H LYS 20 0.504 -6.641 9.102 193 HA LYS 20 HA LYS 20 0.820 -6.071 11.216 194 1HB LYS 20 2HB LYS 20 0.782 -8.484 11.670 195 2HB LYS 20 1HB LYS 20 2.516 -8.579 11.407 196 1HG LYS 20 2HG LYS 20 2.943 -7.250 13.365 197 2HG LYS 20 1HG LYS 20 1.221 -6.951 13.585 198 1HD LYS 20 2HD LYS 20 2.502 -9.684 13.695 199 2HD LYS 20 1HD LYS 20 2.176 -8.685 15.110 200 1HE LYS 20 2HE LYS 20 -0.226 -8.700 14.533 201 2HE LYS 20 1HE LYS 20 0.127 -9.743 13.158 202 1HZ LYS 20 1HZ LYS 20 0.699 -10.444 15.985 203 2HZ LYS 20 2HZ LYS 20 0.837 -11.480 14.650 204 3HZ LYS 20 3HZ LYS 20 -0.677 -10.930 15.156 205 H LEU 21 H LEU 21 1.683 -4.225 10.884 206 HA LEU 21 HA LEU 21 4.561 -4.013 10.569 207 1HB LEU 21 2HB LEU 21 2.519 -1.789 10.380 208 2HB LEU 21 1HB LEU 21 4.199 -1.714 9.946 209 HG LEU 21 HG LEU 21 3.155 -1.851 7.893 210 1HD1 LEU 21 1HD1 LEU 21 4.938 -3.436 7.970 211 2HD1 LEU 21 2HD1 LEU 21 3.633 -4.032 6.936 212 3HD1 LEU 21 3HD1 LEU 21 3.832 -4.678 8.559 213 1HD2 LEU 21 1HD2 LEU 21 1.350 -3.399 7.265 214 2HD2 LEU 21 2HD2 LEU 21 0.848 -2.364 8.597 215 3HD2 LEU 21 3HD2 LEU 21 1.315 -4.041 8.899 216 H THR 22 H THR 22 2.092 -2.403 12.458 217 HA THR 22 HA THR 22 2.072 -1.320 14.350 218 HB THR 22 HB THR 22 3.127 -2.451 16.366 219 HG1 THR 22 1HG THR 22 4.604 -3.595 14.567 220 1HG2 THR 22 1HG2 THR 22 1.442 -4.092 14.493 221 2HG2 THR 22 2HG2 THR 22 0.855 -2.875 15.628 222 3HG2 THR 22 3HG2 THR 22 1.601 -4.362 16.230 223 H GLY 23 H GLY 23 2.881 0.518 13.701 224 1HA GLY 23 2HA GLY 23 4.440 2.038 15.095 225 2HA GLY 23 1HA GLY 23 5.688 1.095 14.282 226 HA PRO 24 HA PRO 24 4.041 4.651 11.530 227 1HB PRO 24 2HB PRO 24 6.642 5.922 12.176 228 2HB PRO 24 1HB PRO 24 5.036 6.656 12.097 229 1HG PRO 24 2HG PRO 24 6.256 6.266 14.437 230 2HG PRO 24 1HG PRO 24 4.503 6.052 14.266 231 1HD PRO 24 2HD PRO 24 6.665 3.978 14.366 232 2HD PRO 24 1HD PRO 24 5.067 3.978 15.142 233 H ILE 25 H ILE 25 4.370 3.612 9.693 234 HA ILE 25 HA ILE 25 7.018 2.526 9.155 235 HB ILE 25 HB ILE 25 5.239 0.889 9.019 236 1HG1 ILE 25 2HG1 ILE 25 5.556 0.033 6.699 237 2HG1 ILE 25 1HG1 ILE 25 6.318 1.561 6.279 238 1HG2 ILE 25 1HG2 ILE 25 3.337 2.256 8.549 239 2HG2 ILE 25 2HG2 ILE 25 3.448 0.966 7.351 240 3HG2 ILE 25 3HG2 ILE 25 3.942 2.606 6.927 241 1HD1 ILE 25 1HD1 ILE 25 7.309 -0.397 8.337 242 2HD1 ILE 25 2HD1 ILE 25 8.071 1.137 7.918 243 3HD1 ILE 25 3HD1 ILE 25 7.970 -0.153 6.720 244 H GLN 26 H GLN 26 8.352 3.539 7.894 245 HA GLN 26 HA GLN 26 7.456 5.776 6.276 246 1HB GLN 26 2HB GLN 26 9.772 6.264 5.950 247 2HB GLN 26 1HB GLN 26 9.552 5.863 7.645 248 1HG GLN 26 2HG GLN 26 10.513 3.680 7.311 249 2HG GLN 26 1HG GLN 26 10.572 3.938 5.567 250 1HE2 GLN 26 1HE2 GLN 26 12.138 5.295 4.713 251 2HE2 GLN 26 2HE2 GLN 26 13.486 5.844 5.637 252 H VAL 27 H VAL 27 8.269 5.961 4.055 253 HA VAL 27 HA VAL 27 7.937 3.493 2.622 254 HB VAL 27 HB VAL 27 7.038 5.563 1.624 255 1HG1 VAL 27 1HG1 VAL 27 8.695 7.178 2.379 256 2HG1 VAL 27 2HG1 VAL 27 8.515 7.221 0.609 257 3HG1 VAL 27 3HG1 VAL 27 9.903 6.411 1.332 258 1HG2 VAL 27 1HG2 VAL 27 9.262 4.368 0.005 259 2HG2 VAL 27 2HG2 VAL 27 7.921 5.316 -0.639 260 3HG2 VAL 27 3HG2 VAL 27 7.612 3.763 0.142 261 H ILE 28 H ILE 28 9.476 2.380 1.633 262 HA ILE 28 HA ILE 28 12.209 2.915 2.494 263 HB ILE 28 HB ILE 28 10.989 0.435 1.247 264 1HG1 ILE 28 2HG1 ILE 28 10.111 0.811 3.483 265 2HG1 ILE 28 1HG1 ILE 28 11.208 -0.561 3.496 266 1HG2 ILE 28 1HG2 ILE 28 13.052 -0.712 1.885 267 2HG2 ILE 28 2HG2 ILE 28 13.732 0.820 2.434 268 3HG2 ILE 28 3HG2 ILE 28 13.351 0.585 0.727 269 1HD1 ILE 28 1HD1 ILE 28 11.852 2.225 4.450 270 2HD1 ILE 28 2HD1 ILE 28 12.953 0.848 4.477 271 3HD1 ILE 28 3HD1 ILE 28 11.496 0.831 5.469 272 H HIS 29 H HIS 29 10.234 2.478 -0.410 273 HA HIS 29 HA HIS 29 12.175 3.737 -2.113 274 1HB HIS 29 2HB HIS 29 11.630 0.780 -2.424 275 2HB HIS 29 1HB HIS 29 12.171 1.767 -3.765 276 HD1 HIS 29 1HD HIS 29 13.444 -0.633 -1.484 277 HD2 HIS 29 2HD HIS 29 14.843 3.098 -2.725 278 HE1 HIS 29 1HE HIS 29 15.886 -0.641 -1.039 279 HE2 HIS 29 2HE HIS 29 16.565 1.726 -1.365 280 H LEU 30 H LEU 30 11.283 3.804 -4.363 281 HA LEU 30 HA LEU 30 8.361 3.696 -4.187 282 1HB LEU 30 2HB LEU 30 10.049 5.390 -6.063 283 2HB LEU 30 1HB LEU 30 8.298 5.305 -6.034 284 HG LEU 30 HG LEU 30 8.937 7.344 -5.043 285 1HD1 LEU 30 1HD1 LEU 30 8.084 5.436 -2.903 286 2HD1 LEU 30 2HD1 LEU 30 7.047 6.308 -4.034 287 3HD1 LEU 30 3HD1 LEU 30 7.967 7.193 -2.818 288 1HD2 LEU 30 1HD2 LEU 30 10.362 7.519 -3.047 289 2HD2 LEU 30 2HD2 LEU 30 11.239 6.856 -4.428 290 3HD2 LEU 30 3HD2 LEU 30 10.687 5.788 -3.138 291 H ALA 31 H ALA 31 7.530 2.157 -5.148 292 HA ALA 31 HA ALA 31 8.922 0.709 -7.288 293 1HB ALA 31 1HB ALA 31 7.278 -1.016 -7.140 294 2HB ALA 31 2HB ALA 31 6.280 -0.076 -6.057 295 3HB ALA 31 3HB ALA 31 7.865 -0.679 -5.517 296 H LYS 32 H LYS 32 7.950 0.063 -9.138 297 HA LYS 32 HA LYS 32 6.062 2.007 -10.233 298 1HB LYS 32 2HB LYS 32 8.192 1.976 -11.378 299 2HB LYS 32 1HB LYS 32 8.126 0.227 -11.492 300 1HG LYS 32 2HG LYS 32 6.205 0.407 -13.022 301 2HG LYS 32 1HG LYS 32 6.294 2.166 -12.904 302 1HD LYS 32 2HD LYS 32 7.388 1.414 -14.935 303 2HD LYS 32 1HD LYS 32 8.582 2.085 -13.821 304 1HE LYS 32 2HE LYS 32 9.078 -0.242 -13.073 305 2HE LYS 32 1HE LYS 32 8.005 -0.830 -14.342 306 1HZ LYS 32 1HZ LYS 32 10.284 -0.873 -15.099 307 2HZ LYS 32 2HZ LYS 32 10.478 0.745 -14.687 308 3HZ LYS 32 3HZ LYS 32 9.473 0.345 -15.968 309 H ALA 33 H ALA 33 4.081 1.210 -10.500 310 HA ALA 33 HA ALA 33 3.430 -1.493 -10.310 311 1HB ALA 33 1HB ALA 33 1.955 0.757 -11.654 312 2HB ALA 33 2HB ALA 33 1.772 0.234 -9.971 313 3HB ALA 33 3HB ALA 33 1.294 -0.827 -11.290 314 H CYS 34 H CYS 34 4.255 -2.883 -11.739 315 HA CYS 34 HA CYS 34 4.803 -2.100 -14.458 316 1HB CYS 34 2HB CYS 34 5.125 -4.783 -13.116 317 2HB CYS 34 1HB CYS 34 5.758 -4.340 -14.701 318 HG CYS 34 HG CYS 34 8.044 -3.964 -13.470 319 H CYS 35 H CYS 35 2.061 -3.137 -12.941 320 HA CYS 35 HA CYS 35 0.781 -3.646 -15.454 321 1HB CYS 35 2HB CYS 35 -0.228 -5.788 -14.653 322 2HB CYS 35 1HB CYS 35 1.502 -5.893 -14.950 323 HG CYS 35 HG CYS 35 1.894 -5.344 -12.057 324 H ASP 36 H ASP 36 -1.489 -3.446 -15.272 325 HA ASP 36 HA ASP 36 -2.357 -2.008 -12.923 326 1HB ASP 36 2HB ASP 36 -4.478 -1.585 -14.067 327 2HB ASP 36 1HB ASP 36 -3.166 -1.233 -15.174 328 H VAL 37 H VAL 37 -2.920 -3.002 -11.268 329 HA VAL 37 HA VAL 37 -4.054 -5.682 -11.547 330 HB VAL 37 HB VAL 37 -1.710 -5.250 -10.530 331 1HG1 VAL 37 1HG1 VAL 37 -1.677 -4.905 -8.147 332 2HG1 VAL 37 2HG1 VAL 37 -3.406 -4.500 -8.222 333 3HG1 VAL 37 3HG1 VAL 37 -2.224 -3.528 -9.092 334 1HG2 VAL 37 1HG2 VAL 37 -3.683 -7.014 -9.130 335 2HG2 VAL 37 2HG2 VAL 37 -1.927 -7.133 -8.999 336 3HG2 VAL 37 3HG2 VAL 37 -2.720 -7.419 -10.551 337 H LYS 38 H LYS 38 -5.593 -6.222 -9.599 338 HA LYS 38 HA LYS 38 -7.266 -3.788 -9.299 339 1HB LYS 38 2HB LYS 38 -8.243 -6.627 -9.341 340 2HB LYS 38 1HB LYS 38 -9.161 -5.142 -9.587 341 1HG LYS 38 2HG LYS 38 -6.966 -6.083 -11.232 342 2HG LYS 38 1HG LYS 38 -8.659 -6.453 -11.683 343 1HD LYS 38 2HD LYS 38 -7.400 -3.686 -11.406 344 2HD LYS 38 1HD LYS 38 -7.741 -4.475 -12.946 345 1HE LYS 38 2HE LYS 38 -10.083 -4.343 -12.582 346 2HE LYS 38 1HE LYS 38 -9.859 -3.889 -10.893 347 1HZ LYS 38 1HZ LYS 38 -9.014 -1.829 -11.512 348 2HZ LYS 38 2HZ LYS 38 -10.443 -2.006 -12.364 349 3HZ LYS 38 3HZ LYS 38 -8.936 -2.199 -13.154 350 H GLY 39 H GLY 39 -5.336 -5.729 -7.588 351 1HA GLY 39 2HA GLY 39 -5.078 -6.025 -5.546 352 2HA GLY 39 1HA GLY 39 -6.420 -4.975 -5.045 353 H GLY 40 H GLY 40 -5.519 -8.088 -6.274 354 1HA GLY 40 2HA GLY 40 -8.103 -9.211 -5.440 355 2HA GLY 40 1HA GLY 40 -7.114 -9.854 -6.748 356 H LYS 41 H LYS 41 -8.102 -10.423 -3.793 357 HA LYS 41 HA LYS 41 -7.547 -11.729 -2.092 358 1HB LYS 41 2HB LYS 41 -7.150 -13.371 -3.894 359 2HB LYS 41 1HB LYS 41 -5.480 -12.852 -3.997 360 1HG LYS 41 2HG LYS 41 -5.027 -13.743 -1.801 361 2HG LYS 41 1HG LYS 41 -6.734 -14.144 -1.577 362 1HD LYS 41 2HD LYS 41 -5.460 -16.119 -2.237 363 2HD LYS 41 1HD LYS 41 -6.622 -15.673 -3.486 364 1HE LYS 41 2HE LYS 41 -4.774 -14.481 -4.670 365 2HE LYS 41 1HE LYS 41 -3.656 -15.141 -3.479 366 1HZ LYS 41 1HZ LYS 41 -5.315 -16.636 -5.419 367 2HZ LYS 41 2HZ LYS 41 -4.500 -17.365 -4.142 368 3HZ LYS 41 3HZ LYS 41 -3.609 -16.586 -5.345 369 H ASN 42 H ASN 42 -6.982 -9.784 -1.146 370 HA ASN 42 HA ASN 42 -5.765 -8.296 -0.006 371 1HB ASN 42 2HB ASN 42 -4.104 -10.751 0.597 372 2HB ASN 42 1HB ASN 42 -3.820 -9.193 1.351 373 1HD2 ASN 42 1HD2 ASN 42 -4.392 -11.535 2.719 374 2HD2 ASN 42 2HD2 ASN 42 -5.933 -11.365 3.510 375 H GLU 43 H GLU 43 -5.327 -7.260 -2.058 376 HA GLU 43 HA GLU 43 -2.446 -6.985 -2.457 377 1HB GLU 43 2HB GLU 43 -3.518 -8.652 -4.016 378 2HB GLU 43 1HB GLU 43 -4.568 -7.375 -4.509 379 1HG GLU 43 2HG GLU 43 -2.812 -6.179 -5.532 380 2HG GLU 43 1HG GLU 43 -1.612 -7.322 -4.894 381 H LEU 44 H LEU 44 -2.184 -4.936 -3.888 382 HA LEU 44 HA LEU 44 -4.102 -2.874 -3.030 383 1HB LEU 44 2HB LEU 44 -1.360 -2.927 -3.065 384 2HB LEU 44 1HB LEU 44 -1.710 -2.160 -4.597 385 HG LEU 44 HG LEU 44 -2.492 -1.155 -1.858 386 1HD1 LEU 44 1HD1 LEU 44 -1.101 0.681 -2.398 387 2HD1 LEU 44 2HD1 LEU 44 -0.663 -0.111 -3.929 388 3HD1 LEU 44 3HD1 LEU 44 -0.234 -0.864 -2.367 389 1HD2 LEU 44 1HD2 LEU 44 -4.250 -0.572 -3.442 390 2HD2 LEU 44 2HD2 LEU 44 -3.028 0.146 -4.508 391 3HD2 LEU 44 3HD2 LEU 44 -3.326 0.835 -2.913 392 H SER 45 H SER 45 -5.008 -1.484 -4.671 393 HA SER 45 HA SER 45 -4.960 -2.700 -7.279 394 1HB SER 45 2HB SER 45 -6.810 -0.512 -6.336 395 2HB SER 45 1HB SER 45 -7.052 -1.636 -7.668 396 HG SER 45 HG SER 45 -7.523 -3.236 -6.295 397 H PHE 46 H PHE 46 -3.949 -1.647 -8.934 398 HA PHE 46 HA PHE 46 -3.531 1.158 -8.894 399 1HB PHE 46 2HB PHE 46 -0.961 0.893 -9.101 400 2HB PHE 46 1HB PHE 46 -1.675 0.779 -7.498 401 HD1 PHE 46 1HD PHE 46 -0.335 -1.209 -10.319 402 HD2 PHE 46 2HD PHE 46 -1.332 -1.096 -6.193 403 HE1 PHE 46 1HE PHE 46 0.885 -3.313 -9.976 404 HE2 PHE 46 2HE PHE 46 -0.128 -3.192 -5.840 405 HZ PHE 46 HZ PHE 46 0.995 -4.307 -7.729 406 H LYS 47 H LYS 47 -2.065 1.744 -10.827 407 HA LYS 47 HA LYS 47 -2.804 -0.057 -13.019 408 1HB LYS 47 2HB LYS 47 -2.753 2.940 -12.884 409 2HB LYS 47 1HB LYS 47 -2.936 2.042 -14.394 410 1HG LYS 47 2HG LYS 47 -5.009 1.040 -13.452 411 2HG LYS 47 1HG LYS 47 -4.826 2.100 -12.051 412 1HD LYS 47 2HD LYS 47 -4.941 4.050 -13.514 413 2HD LYS 47 1HD LYS 47 -5.116 2.989 -14.917 414 1HE LYS 47 2HE LYS 47 -7.192 2.095 -13.953 415 2HE LYS 47 1HE LYS 47 -7.016 3.198 -12.590 416 1HZ LYS 47 1HZ LYS 47 -8.541 4.084 -14.254 417 2HZ LYS 47 2HZ LYS 47 -7.323 4.001 -15.426 418 3HZ LYS 47 3HZ LYS 47 -7.157 5.060 -14.146 419 H GLN 48 H GLN 48 -1.316 -0.072 -14.720 420 HA GLN 48 HA GLN 48 1.388 -0.079 -13.994 421 1HB GLN 48 2HB GLN 48 0.315 -1.232 -16.013 422 2HB GLN 48 1HB GLN 48 0.363 0.315 -16.829 423 1HG GLN 48 2HG GLN 48 2.824 -1.090 -15.798 424 2HG GLN 48 1HG GLN 48 2.181 -1.331 -17.412 425 1HE2 GLN 48 1HE2 GLN 48 4.773 -0.283 -16.529 426 2HE2 GLN 48 2HE2 GLN 48 4.899 1.283 -17.246 427 H GLY 49 H GLY 49 2.816 1.464 -13.683 428 1HA GLY 49 2HA GLY 49 3.938 3.512 -13.940 429 2HA GLY 49 1HA GLY 49 2.652 4.052 -15.013 430 H GLU 50 H GLU 50 1.490 2.744 -12.141 431 HA GLU 50 HA GLU 50 0.188 5.063 -11.240 432 1HB GLU 50 2HB GLU 50 -0.384 2.662 -10.751 433 2HB GLU 50 1HB GLU 50 0.915 2.658 -9.580 434 1HG GLU 50 2HG GLU 50 -1.129 2.963 -8.408 435 2HG GLU 50 1HG GLU 50 -0.235 4.483 -8.380 436 H GLN 51 H GLN 51 3.165 3.645 -10.394 437 HA GLN 51 HA GLN 51 4.928 4.082 -9.044 438 1HB GLN 51 2HB GLN 51 4.923 6.440 -9.863 439 2HB GLN 51 1HB GLN 51 3.748 6.866 -8.624 440 1HG GLN 51 2HG GLN 51 5.389 6.250 -6.887 441 2HG GLN 51 1HG GLN 51 6.564 5.897 -8.145 442 1HE2 GLN 51 1HE2 GLN 51 4.933 8.332 -6.365 443 2HE2 GLN 51 2HE2 GLN 51 5.820 9.684 -6.944 444 H ILE 52 H ILE 52 4.932 2.951 -7.343 445 HA ILE 52 HA ILE 52 2.842 3.292 -5.308 446 HB ILE 52 HB ILE 52 4.451 0.821 -5.982 447 1HG1 ILE 52 2HG1 ILE 52 1.754 1.721 -7.034 448 2HG1 ILE 52 1HG1 ILE 52 3.245 1.501 -7.922 449 1HG2 ILE 52 1HG2 ILE 52 1.857 1.190 -4.452 450 2HG2 ILE 52 2HG2 ILE 52 3.425 0.824 -3.737 451 3HG2 ILE 52 3HG2 ILE 52 2.641 -0.353 -4.790 452 1HD1 ILE 52 1HD1 ILE 52 3.204 -0.831 -7.505 453 2HD1 ILE 52 2HD1 ILE 52 1.710 -0.289 -8.274 454 3HD1 ILE 52 3HD1 ILE 52 1.736 -0.654 -6.548 455 H GLU 53 H GLU 53 3.689 2.911 -3.100 456 HA GLU 53 HA GLU 53 6.603 3.375 -2.919 457 1HB GLU 53 2HB GLU 53 4.769 3.716 -0.594 458 2HB GLU 53 1HB GLU 53 6.320 4.358 -1.045 459 1HG GLU 53 2HG GLU 53 5.563 5.978 -2.427 460 2HG GLU 53 1HG GLU 53 3.999 5.218 -2.688 461 H ILE 54 H ILE 54 7.770 1.785 -1.982 462 HA ILE 54 HA ILE 54 6.261 -0.451 -0.875 463 HB ILE 54 HB ILE 54 8.033 -1.115 -2.518 464 1HG1 ILE 54 2HG1 ILE 54 9.319 -2.701 -1.118 465 2HG1 ILE 54 1HG1 ILE 54 8.655 -1.915 0.308 466 1HG2 ILE 54 1HG2 ILE 54 9.988 0.091 -0.613 467 2HG2 ILE 54 2HG2 ILE 54 9.579 0.692 -2.218 468 3HG2 ILE 54 3HG2 ILE 54 10.377 -0.871 -2.037 469 1HD1 ILE 54 1HD1 ILE 54 7.490 -3.931 -0.216 470 2HD1 ILE 54 2HD1 ILE 54 7.099 -3.323 -1.827 471 3HD1 ILE 54 3HD1 ILE 54 6.431 -2.535 -0.382 472 H ILE 55 H ILE 55 6.029 -0.621 1.206 473 HA ILE 55 HA ILE 55 7.793 1.014 2.852 474 HB ILE 55 HB ILE 55 5.993 0.922 4.646 475 1HG1 ILE 55 2HG1 ILE 55 4.727 -0.909 3.247 476 2HG1 ILE 55 1HG1 ILE 55 3.779 0.246 4.168 477 1HG2 ILE 55 1HG2 ILE 55 4.761 2.809 3.679 478 2HG2 ILE 55 2HG2 ILE 55 5.462 2.437 2.104 479 3HG2 ILE 55 3HG2 ILE 55 6.505 2.931 3.437 480 1HD1 ILE 55 1HD1 ILE 55 2.852 -0.103 1.969 481 2HD1 ILE 55 2HD1 ILE 55 4.405 0.310 1.227 482 3HD1 ILE 55 3HD1 ILE 55 3.487 1.542 2.084 483 H ARG 56 H ARG 56 6.394 -2.214 2.658 484 HA ARG 56 HA ARG 56 8.675 -2.949 4.240 485 1HB ARG 56 2HB ARG 56 6.765 -2.846 5.926 486 2HB ARG 56 1HB ARG 56 5.945 -4.027 4.940 487 1HG ARG 56 2HG ARG 56 7.363 -5.709 5.404 488 2HG ARG 56 1HG ARG 56 8.679 -4.651 5.916 489 1HD ARG 56 2HD ARG 56 6.088 -4.972 7.392 490 2HD ARG 56 1HD ARG 56 7.501 -5.971 7.701 491 HE ARG 56 HE ARG 56 8.169 -3.231 7.848 492 1HH1 ARG 56 1HH1 ARG 56 6.524 -5.829 9.614 493 2HH1 ARG 56 2HH1 ARG 56 6.842 -5.214 11.155 494 1HH2 ARG 56 1HH2 ARG 56 8.671 -2.362 10.016 495 2HH2 ARG 56 2HH2 ARG 56 8.094 -3.198 11.394 496 H ILE 57 H ILE 57 9.570 -4.815 3.783 497 HA ILE 57 HA ILE 57 8.475 -6.310 1.508 498 HB ILE 57 HB ILE 57 10.963 -6.694 0.892 499 1HG1 ILE 57 2HG1 ILE 57 11.868 -5.436 2.907 500 2HG1 ILE 57 1HG1 ILE 57 12.568 -4.991 1.355 501 1HG2 ILE 57 1HG2 ILE 57 9.616 -4.114 0.247 502 2HG2 ILE 57 2HG2 ILE 57 9.451 -5.656 -0.590 503 3HG2 ILE 57 3HG2 ILE 57 10.990 -4.795 -0.618 504 1HD1 ILE 57 1HD1 ILE 57 11.152 -3.009 1.287 505 2HD1 ILE 57 2HD1 ILE 57 12.115 -3.020 2.789 506 3HD1 ILE 57 3HD1 ILE 57 10.411 -3.492 2.801 507 H THR 58 H THR 58 10.201 -6.388 4.529 508 HA THR 58 HA THR 58 10.549 -9.243 4.175 509 HB THR 58 HB THR 58 12.134 -8.956 6.155 510 HG1 THR 58 1HG THR 58 11.847 -7.006 6.919 511 1HG2 THR 58 1HG2 THR 58 12.732 -7.652 3.507 512 2HG2 THR 58 2HG2 THR 58 12.801 -9.377 3.864 513 3HG2 THR 58 3HG2 THR 58 13.937 -8.273 4.651 514 H ASP 59 H ASP 59 10.395 -10.544 6.164 515 HA ASP 59 HA ASP 59 9.023 -11.569 7.536 516 1HB ASP 59 2HB ASP 59 9.870 -10.034 9.223 517 2HB ASP 59 1HB ASP 59 8.688 -8.819 8.758 518 H ASN 60 H ASN 60 7.864 -11.970 5.757 519 HA ASN 60 HA ASN 60 5.145 -10.904 5.916 520 1HB ASN 60 2HB ASN 60 4.985 -11.289 3.400 521 2HB ASN 60 1HB ASN 60 5.937 -9.917 3.932 522 1HD2 ASN 60 1HD2 ASN 60 6.925 -9.948 1.878 523 2HD2 ASN 60 2HD2 ASN 60 8.171 -11.080 1.490 524 HA PRO 61 HA PRO 61 3.962 -15.099 6.568 525 1HB PRO 61 2HB PRO 61 1.287 -14.327 5.626 526 2HB PRO 61 1HB PRO 61 1.799 -14.879 7.223 527 1HG PRO 61 2HG PRO 61 1.085 -12.332 6.777 528 2HG PRO 61 1HG PRO 61 2.371 -12.757 7.919 529 1HD PRO 61 2HD PRO 61 2.588 -11.728 5.117 530 2HD PRO 61 1HD PRO 61 3.527 -11.274 6.556 531 H GLU 62 H GLU 62 3.109 -13.549 3.530 532 HA GLU 62 HA GLU 62 2.664 -16.176 2.284 533 1HB GLU 62 2HB GLU 62 0.911 -14.355 2.109 534 2HB GLU 62 1HB GLU 62 2.066 -13.398 1.211 535 1HG GLU 62 2HG GLU 62 1.013 -16.071 0.295 536 2HG GLU 62 1HG GLU 62 0.289 -14.532 -0.135 537 H GLY 63 H GLY 63 4.320 -13.105 1.797 538 1HA GLY 63 2HA GLY 63 6.763 -13.433 1.170 539 2HA GLY 63 1HA GLY 63 6.122 -14.448 -0.121 540 H LYS 64 H LYS 64 3.866 -12.280 0.263 541 HA LYS 64 HA LYS 64 4.694 -10.641 -1.924 542 1HB LYS 64 2HB LYS 64 2.479 -9.654 -1.758 543 2HB LYS 64 1HB LYS 64 2.344 -11.409 -1.692 544 1HG LYS 64 2HG LYS 64 2.186 -11.170 0.787 545 2HG LYS 64 1HG LYS 64 2.215 -9.446 0.501 546 1HD LYS 64 2HD LYS 64 -0.116 -10.376 0.820 547 2HD LYS 64 1HD LYS 64 0.154 -9.396 -0.614 548 1HE LYS 64 2HE LYS 64 0.348 -11.430 -1.961 549 2HE LYS 64 1HE LYS 64 0.106 -12.409 -0.516 550 1HZ LYS 64 1HZ LYS 64 -1.930 -10.420 -1.400 551 2HZ LYS 64 2HZ LYS 64 -2.144 -11.774 -0.382 552 3HZ LYS 64 3HZ LYS 64 -1.869 -11.980 -2.001 553 H TRP 65 H TRP 65 4.391 -8.310 -1.680 554 HA TRP 65 HA TRP 65 5.977 -7.329 0.636 555 1HB TRP 65 2HB TRP 65 5.661 -6.310 -2.174 556 2HB TRP 65 1HB TRP 65 6.385 -5.330 -0.923 557 HD1 TRP 65 HD TRP 65 7.877 -8.256 0.151 558 HE1 TRP 65 1HE TRP 65 10.064 -8.852 -1.059 559 HE3 TRP 65 3HE TRP 65 7.335 -5.309 -3.998 560 HZ2 TRP 65 2HZ TRP 65 11.395 -8.150 -3.454 561 HZ3 TRP 65 3HZ TRP 65 9.119 -5.324 -5.693 562 HH2 TRP 65 HH TRP 65 11.102 -6.716 -5.425 563 H LEU 66 H LEU 66 5.517 -4.880 0.998 564 HA LEU 66 HA LEU 66 2.594 -4.534 1.037 565 1HB LEU 66 2HB LEU 66 3.624 -4.828 3.269 566 2HB LEU 66 1HB LEU 66 4.661 -3.453 2.950 567 HG LEU 66 HG LEU 66 2.671 -2.005 2.834 568 1HD1 LEU 66 1HD1 LEU 66 1.228 -4.469 3.742 569 2HD1 LEU 66 2HD1 LEU 66 1.045 -3.668 2.176 570 3HD1 LEU 66 3HD1 LEU 66 0.553 -2.839 3.662 571 1HD2 LEU 66 1HD2 LEU 66 2.215 -2.009 5.221 572 2HD2 LEU 66 2HD2 LEU 66 3.936 -2.225 4.891 573 3HD2 LEU 66 3HD2 LEU 66 2.947 -3.607 5.360 574 H GLY 67 H GLY 67 2.035 -3.047 -0.471 575 1HA GLY 67 2HA GLY 67 3.889 -0.812 -0.842 576 2HA GLY 67 1HA GLY 67 2.917 -1.487 -2.157 577 H ARG 68 H ARG 68 2.923 1.233 -1.362 578 HA ARG 68 HA ARG 68 0.097 1.496 -0.602 579 1HB ARG 68 2HB ARG 68 1.422 1.968 1.388 580 2HB ARG 68 1HB ARG 68 2.346 3.211 0.544 581 1HG ARG 68 2HG ARG 68 0.108 4.415 0.272 582 2HG ARG 68 1HG ARG 68 -0.569 3.262 1.417 583 1HD ARG 68 2HD ARG 68 0.048 5.231 2.589 584 2HD ARG 68 1HD ARG 68 1.161 3.947 3.042 585 HE ARG 68 HE ARG 68 2.309 5.408 0.929 586 1HH1 ARG 68 1HH1 ARG 68 1.253 6.089 4.220 587 2HH1 ARG 68 2HH1 ARG 68 2.566 7.092 4.605 588 1HH2 ARG 68 1HH2 ARG 68 4.076 6.814 1.367 589 2HH2 ARG 68 2HH2 ARG 68 4.239 7.534 2.906 590 H THR 69 H THR 69 -0.850 3.382 -1.245 591 HA THR 69 HA THR 69 0.343 4.778 -3.577 592 HB THR 69 HB THR 69 -2.598 4.392 -2.883 593 HG1 THR 69 1HG THR 69 -0.780 2.745 -4.073 594 1HG2 THR 69 1HG2 THR 69 -2.111 6.295 -4.389 595 2HG2 THR 69 2HG2 THR 69 -2.990 5.019 -5.229 596 3HG2 THR 69 3HG2 THR 69 -1.254 5.205 -5.476 597 H ALA 70 H ALA 70 -0.171 7.125 -3.666 598 HA ALA 70 HA ALA 70 0.183 8.234 -1.094 599 1HB ALA 70 1HB ALA 70 -0.180 9.683 -3.716 600 2HB ALA 70 2HB ALA 70 1.363 9.129 -3.065 601 3HB ALA 70 3HB ALA 70 0.439 10.366 -2.212 602 H ARG 71 H ARG 71 -1.693 7.310 -0.484 603 HA ARG 71 HA ARG 71 -3.554 9.321 0.194 604 1HB ARG 71 2HB ARG 71 -5.661 8.326 -0.585 605 2HB ARG 71 1HB ARG 71 -4.605 8.581 -1.961 606 1HG ARG 71 2HG ARG 71 -4.033 6.214 -1.971 607 2HG ARG 71 1HG ARG 71 -5.053 5.955 -0.559 608 1HD ARG 71 2HD ARG 71 -6.273 5.268 -2.489 609 2HD ARG 71 1HD ARG 71 -6.984 6.775 -1.909 610 HE ARG 71 HE ARG 71 -5.086 7.469 -3.785 611 1HH1 ARG 71 1HH1 ARG 71 -8.160 5.703 -3.749 612 2HH1 ARG 71 2HH1 ARG 71 -8.501 5.980 -5.389 613 1HH2 ARG 71 1HH2 ARG 71 -5.509 7.826 -5.982 614 2HH2 ARG 71 2HH2 ARG 71 -6.916 7.213 -6.736 615 H GLY 72 H GLY 72 -2.620 5.961 0.145 616 1HA GLY 72 2HA GLY 72 -2.006 4.879 2.130 617 2HA GLY 72 1HA GLY 72 -3.330 5.601 2.991 618 H SER 73 H SER 73 -2.258 3.119 0.956 619 HA SER 73 HA SER 73 -4.610 1.619 1.163 620 1HB SER 73 2HB SER 73 -3.292 1.989 -1.491 621 2HB SER 73 1HB SER 73 -4.885 1.329 -1.165 622 HG SER 73 HG SER 73 -5.646 3.415 -0.717 623 H TYR 74 H TYR 74 -3.588 -0.041 1.768 624 HA TYR 74 HA TYR 74 -0.774 -0.449 1.083 625 1HB TYR 74 2HB TYR 74 -2.353 -0.885 3.464 626 2HB TYR 74 1HB TYR 74 -0.853 -1.815 3.271 627 HD1 TYR 74 1HD TYR 74 -2.350 1.554 3.740 628 HD2 TYR 74 2HD TYR 74 1.222 -0.733 3.850 629 HE1 TYR 74 1HE TYR 74 -1.213 3.382 4.911 630 HE2 TYR 74 2HE TYR 74 2.375 1.090 5.010 631 HH TYR 74 HH TYR 74 2.156 3.519 5.352 632 H GLY 75 H GLY 75 -1.316 -1.646 -0.590 633 1HA GLY 75 2HA GLY 75 -2.830 -4.014 0.035 634 2HA GLY 75 1HA GLY 75 -2.508 -3.381 -1.589 635 H TYR 76 H TYR 76 -1.463 -5.109 0.943 636 HA TYR 76 HA TYR 76 1.180 -5.627 0.389 637 1HB TYR 76 2HB TYR 76 -0.129 -8.169 0.901 638 2HB TYR 76 1HB TYR 76 0.931 -7.257 1.965 639 HD1 TYR 76 1HD TYR 76 -0.045 -5.687 3.654 640 HD2 TYR 76 2HD TYR 76 -2.479 -8.055 1.104 641 HE1 TYR 76 1HE TYR 76 -1.984 -5.229 5.070 642 HE2 TYR 76 2HE TYR 76 -4.422 -7.593 2.514 643 HH TYR 76 HH TYR 76 -4.562 -5.200 4.706 644 H ILE 77 H ILE 77 1.831 -5.657 -1.576 645 HA ILE 77 HA ILE 77 0.416 -6.583 -3.822 646 HB ILE 77 HB ILE 77 2.733 -6.240 -4.783 647 1HG1 ILE 77 2HG1 ILE 77 2.936 -4.673 -2.211 648 2HG1 ILE 77 1HG1 ILE 77 3.956 -6.001 -2.743 649 1HG2 ILE 77 1HG2 ILE 77 0.959 -4.010 -3.759 650 2HG2 ILE 77 2HG2 ILE 77 0.777 -4.891 -5.290 651 3HG2 ILE 77 3HG2 ILE 77 2.161 -3.815 -5.040 652 1HD1 ILE 77 1HD1 ILE 77 5.066 -3.885 -2.974 653 2HD1 ILE 77 2HD1 ILE 77 3.743 -3.312 -4.015 654 3HD1 ILE 77 3HD1 ILE 77 4.774 -4.639 -4.548 655 H LYS 78 H LYS 78 0.653 -8.337 -4.860 656 HA LYS 78 HA LYS 78 2.693 -10.086 -3.963 657 1HB LYS 78 2HB LYS 78 1.951 -11.701 -5.633 658 2HB LYS 78 1HB LYS 78 0.541 -11.090 -4.792 659 1HG LYS 78 2HG LYS 78 -0.005 -9.692 -6.651 660 2HG LYS 78 1HG LYS 78 1.593 -10.147 -7.329 661 1HD LYS 78 2HD LYS 78 0.878 -12.441 -7.624 662 2HD LYS 78 1HD LYS 78 -0.629 -12.135 -6.763 663 1HE LYS 78 2HE LYS 78 0.091 -10.798 -9.363 664 2HE LYS 78 1HE LYS 78 -0.785 -12.321 -9.280 665 1HZ LYS 78 1HZ LYS 78 -2.573 -11.249 -8.148 666 2HZ LYS 78 2HZ LYS 78 -2.224 -10.312 -9.503 667 3HZ LYS 78 3HZ LYS 78 -1.723 -9.820 -7.966 668 H THR 79 H THR 79 4.343 -9.650 -4.439 669 HA THR 79 HA THR 79 5.808 -7.733 -5.482 670 HB THR 79 HB THR 79 7.779 -9.169 -5.573 671 HG1 THR 79 1HG THR 79 7.428 -11.157 -6.292 672 1HG2 THR 79 1HG2 THR 79 7.579 -10.146 -3.338 673 2HG2 THR 79 2HG2 THR 79 5.825 -9.962 -3.421 674 3HG2 THR 79 3HG2 THR 79 6.863 -8.536 -3.400 675 H THR 80 H THR 80 4.738 -10.397 -7.454 676 HA THR 80 HA THR 80 6.219 -9.830 -9.774 677 HB THR 80 HB THR 80 5.195 -11.971 -9.523 678 HG1 THR 80 1HG THR 80 4.994 -12.040 -11.562 679 1HG2 THR 80 1HG2 THR 80 2.534 -10.547 -9.500 680 2HG2 THR 80 2HG2 THR 80 3.321 -11.317 -8.137 681 3HG2 THR 80 3HG2 THR 80 2.754 -12.302 -9.483 682 H ALA 81 H ALA 81 3.586 -8.032 -8.392 683 HA ALA 81 HA ALA 81 2.619 -7.076 -10.917 684 1HB ALA 81 1HB ALA 81 1.928 -6.252 -8.101 685 2HB ALA 81 2HB ALA 81 1.088 -7.478 -9.056 686 3HB ALA 81 3HB ALA 81 1.062 -5.791 -9.568 687 H VAL 82 H VAL 82 5.176 -6.254 -8.776 688 HA VAL 82 HA VAL 82 5.345 -3.616 -10.046 689 HB VAL 82 HB VAL 82 6.128 -2.575 -7.968 690 1HG1 VAL 82 1HG1 VAL 82 3.372 -3.770 -7.715 691 2HG1 VAL 82 2HG1 VAL 82 3.818 -2.281 -8.558 692 3HG1 VAL 82 3HG1 VAL 82 3.998 -2.389 -6.822 693 1HG2 VAL 82 1HG2 VAL 82 5.764 -3.673 -5.808 694 2HG2 VAL 82 2HG2 VAL 82 6.936 -4.546 -6.800 695 3HG2 VAL 82 3HG2 VAL 82 5.284 -5.145 -6.643 696 H GLU 83 H GLU 83 7.385 -2.627 -9.793 697 HA GLU 83 HA GLU 83 9.594 -4.348 -8.937 698 1HB GLU 83 2HB GLU 83 9.426 -2.636 -11.376 699 2HB GLU 83 1HB GLU 83 10.977 -3.182 -10.736 700 1HG GLU 83 2HG GLU 83 10.165 -5.541 -11.067 701 2HG GLU 83 1HG GLU 83 8.748 -4.865 -11.852 702 H ILE 84 H ILE 84 10.765 -3.296 -7.460 703 HA ILE 84 HA ILE 84 9.940 -0.590 -6.927 704 HB ILE 84 HB ILE 84 11.249 -0.654 -4.911 705 1HG1 ILE 84 2HG1 ILE 84 12.124 -3.453 -5.593 706 2HG1 ILE 84 1HG1 ILE 84 13.100 -2.041 -5.985 707 1HG2 ILE 84 1HG2 ILE 84 9.043 -1.653 -4.807 708 2HG2 ILE 84 2HG2 ILE 84 10.150 -2.508 -3.737 709 3HG2 ILE 84 3HG2 ILE 84 9.704 -3.215 -5.290 710 1HD1 ILE 84 1HD1 ILE 84 13.159 -1.424 -3.674 711 2HD1 ILE 84 2HD1 ILE 84 13.811 -3.047 -3.920 712 3HD1 ILE 84 3HD1 ILE 84 12.173 -2.823 -3.253 713 H ASP 85 H ASP 85 11.590 1.026 -6.449 714 HA ASP 85 HA ASP 85 13.648 0.961 -8.499 715 1HB ASP 85 2HB ASP 85 12.411 3.081 -8.199 716 2HB ASP 85 1HB ASP 85 12.919 3.143 -6.516 717 H TYR 86 H TYR 86 15.470 0.036 -8.024 718 HA TYR 86 HA TYR 86 15.969 -0.769 -5.320 719 1HB TYR 86 2HB TYR 86 17.538 -1.254 -7.859 720 2HB TYR 86 1HB TYR 86 17.882 -1.996 -6.299 721 HD1 TYR 86 1HD TYR 86 16.260 -3.572 -5.307 722 HD2 TYR 86 2HD TYR 86 15.780 -2.080 -9.255 723 HE1 TYR 86 1HE TYR 86 14.651 -5.359 -5.779 724 HE2 TYR 86 2HE TYR 86 14.163 -3.871 -9.738 725 HH TYR 86 HH TYR 86 13.616 -6.059 -8.932 726 H ASP 87 H ASP 87 16.896 1.712 -7.384 727 HA ASP 87 HA ASP 87 18.230 3.499 -7.228 728 1HB ASP 87 2HB ASP 87 17.215 3.852 -4.996 729 2HB ASP 87 1HB ASP 87 18.431 2.804 -4.277 730 H SER 88 H SER 88 20.076 2.064 -4.657 731 HA SER 88 HA SER 88 22.252 1.565 -4.504 732 1HB SER 88 2HB SER 88 21.443 -0.298 -6.739 733 2HB SER 88 1HB SER 88 22.858 -0.501 -5.702 734 HG SER 88 HG SER 88 20.747 -0.094 -4.144 735 H LEU 89 H LEU 89 23.061 3.592 -5.124 736 HA LEU 89 HA LEU 89 23.878 3.895 -7.847 737 1HB LEU 89 2HB LEU 89 24.415 5.637 -5.448 738 2HB LEU 89 1HB LEU 89 24.869 6.031 -7.093 739 HG LEU 89 HG LEU 89 22.060 5.759 -6.025 740 1HD1 LEU 89 1HD1 LEU 89 23.594 8.148 -7.030 741 2HD1 LEU 89 2HD1 LEU 89 23.173 7.808 -5.351 742 3HD1 LEU 89 3HD1 LEU 89 21.902 8.142 -6.526 743 1HD2 LEU 89 1HD2 LEU 89 23.002 6.414 -8.816 744 2HD2 LEU 89 2HD2 LEU 89 21.332 6.479 -8.251 745 3HD2 LEU 89 3HD2 LEU 89 22.184 4.935 -8.318 746 H LYS 90 H LYS 90 25.389 2.736 -8.494 747 HA LYS 90 HA LYS 90 27.530 1.800 -6.809 748 1HB LYS 90 2HB LYS 90 28.309 0.617 -8.836 749 2HB LYS 90 1HB LYS 90 26.617 0.298 -8.495 750 1HG LYS 90 2HG LYS 90 25.997 1.967 -10.209 751 2HG LYS 90 1HG LYS 90 27.707 2.172 -10.576 752 1HD LYS 90 2HD LYS 90 26.105 -0.373 -10.855 753 2HD LYS 90 1HD LYS 90 26.657 0.667 -12.168 754 1HE LYS 90 2HE LYS 90 28.999 0.213 -11.464 755 2HE LYS 90 1HE LYS 90 28.375 -0.932 -10.271 756 1HZ LYS 90 1HZ LYS 90 29.001 -2.143 -12.208 757 2HZ LYS 90 2HZ LYS 90 28.172 -1.072 -13.205 758 3HZ LYS 90 3HZ LYS 90 27.294 -2.104 -12.194 759 H LEU 91 H LEU 91 26.860 4.494 -8.591 760 HA LEU 91 HA LEU 91 29.315 5.451 -9.507 761 1HB LEU 91 2HB LEU 91 27.079 6.470 -9.932 762 2HB LEU 91 1HB LEU 91 26.991 6.964 -8.264 763 HG LEU 91 HG LEU 91 29.141 8.039 -10.100 764 1HD1 LEU 91 1HD1 LEU 91 26.969 8.432 -11.157 765 2HD1 LEU 91 2HD1 LEU 91 27.656 9.933 -10.535 766 3HD1 LEU 91 3HD1 LEU 91 26.361 9.125 -9.653 767 1HD2 LEU 91 1HD2 LEU 91 29.393 8.440 -7.676 768 2HD2 LEU 91 2HD2 LEU 91 27.787 9.165 -7.634 769 3HD2 LEU 91 3HD2 LEU 91 29.081 9.939 -8.550 770 H LYS 92 H LYS 92 27.877 5.310 -6.342 771 HA LYS 92 HA LYS 92 29.956 6.676 -4.898 772 1HB LYS 92 2HB LYS 92 27.969 4.599 -3.925 773 2HB LYS 92 1HB LYS 92 28.822 5.781 -2.946 774 1HG LYS 92 2HG LYS 92 27.519 7.567 -3.843 775 2HG LYS 92 1HG LYS 92 26.798 6.499 -5.052 776 1HD LYS 92 2HD LYS 92 25.812 5.166 -3.203 777 2HD LYS 92 1HD LYS 92 26.431 6.360 -2.061 778 1HE LYS 92 2HE LYS 92 25.075 8.082 -3.057 779 2HE LYS 92 1HE LYS 92 24.559 6.986 -4.336 780 1HZ LYS 92 1HZ LYS 92 22.826 7.113 -2.723 781 2HZ LYS 92 2HZ LYS 92 23.871 6.801 -1.445 782 3HZ LYS 92 3HZ LYS 92 23.533 5.598 -2.582 783 H LYS 93 H LYS 93 31.972 5.703 -4.799 784 HA LYS 93 HA LYS 93 31.889 2.798 -4.980 785 1HB LYS 93 2HB LYS 93 32.905 4.260 -6.898 786 2HB LYS 93 1HB LYS 93 34.320 4.234 -5.852 787 1HG LYS 93 2HG LYS 93 34.583 2.445 -7.364 788 2HG LYS 93 1HG LYS 93 34.114 1.722 -5.826 789 1HD LYS 93 2HD LYS 93 31.845 2.389 -7.561 790 2HD LYS 93 1HD LYS 93 32.946 1.228 -8.275 791 1HE LYS 93 2HE LYS 93 31.196 0.021 -7.169 792 2HE LYS 93 1HE LYS 93 32.667 -0.196 -6.241 793 1HZ LYS 93 1HZ LYS 93 30.687 1.878 -5.404 794 2HZ LYS 93 2HZ LYS 93 31.689 0.881 -4.396 795 3HZ LYS 93 3HZ LYS 93 30.405 0.268 -5.204 796 H ASP 94 H ASP 94 33.885 1.735 -4.189 797 HA ASP 94 HA ASP 94 34.357 2.761 -1.487 798 1HB ASP 94 2HB ASP 94 34.383 -0.102 -2.474 799 2HB ASP 94 1HB ASP 94 34.455 0.443 -0.806 800 H LEU 95 H LEU 95 35.722 0.388 -3.738 801 HA LEU 95 HA LEU 95 38.374 1.533 -3.229 802 1HB LEU 95 2HB LEU 95 37.643 -1.358 -3.751 803 2HB LEU 95 1HB LEU 95 39.278 -0.754 -3.790 804 HG LEU 95 HG LEU 95 39.048 -1.851 -1.755 805 1HD1 LEU 95 1HD1 LEU 95 40.232 0.187 -1.518 806 2HD1 LEU 95 2HD1 LEU 95 39.321 -0.146 -0.045 807 3HD1 LEU 95 3HD1 LEU 95 38.740 1.066 -1.186 808 1HD2 LEU 95 1HD2 LEU 95 36.632 -2.063 -1.631 809 2HD2 LEU 95 2HD2 LEU 95 36.479 -0.349 -1.246 810 3HD2 LEU 95 3HD2 LEU 95 37.265 -1.441 -0.107 811 H GLU 96 H GLU 96 36.519 -0.409 -5.573 812 HA GLU 96 HA GLU 96 37.054 1.222 -7.769 813 1HB GLU 96 2HB GLU 96 39.360 0.339 -7.511 814 2HB GLU 96 1HB GLU 96 38.732 -1.297 -7.636 815 1HG GLU 96 2HG GLU 96 37.922 -0.780 -9.901 816 2HG GLU 96 1HG GLU 96 38.654 0.820 -9.764
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