NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13014 | 1tvm | 6259 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 25.582 -12.836 -33.007 2 2H MET 1 2H MET 1 27.212 -13.332 -33.201 3 3H MET 1 3H MET 1 26.455 -12.376 -34.408 4 HA MET 1 HA MET 1 28.033 -11.238 -32.872 5 1HB MET 1 1HB MET 1 26.437 -9.280 -32.696 6 2HB MET 1 2HB MET 1 26.616 -9.976 -34.301 7 1HG MET 1 1HG MET 1 24.438 -10.298 -34.431 8 2HG MET 1 2HG MET 1 24.477 -11.305 -32.987 9 1HE MET 1 1HE MET 1 22.985 -7.456 -34.021 10 2HE MET 1 2HE MET 1 21.700 -8.496 -33.407 11 3HE MET 1 3HE MET 1 22.807 -9.096 -34.642 12 H GLY 2 H GLY 2 26.316 -13.384 -31.297 13 1HA GLY 2 1HA GLY 2 27.045 -13.075 -28.790 14 2HA GLY 2 2HA GLY 2 25.812 -11.829 -28.870 15 H SER 3 H SER 3 25.394 -14.756 -30.705 16 HA SER 3 HA SER 3 23.804 -16.374 -30.618 17 1HB SER 3 1HB SER 3 25.300 -16.482 -28.247 18 2HB SER 3 2HB SER 3 23.623 -16.667 -27.740 19 HG SER 3 HG SER 3 23.909 -18.659 -28.349 20 H SER 4 H SER 4 22.339 -14.503 -31.250 21 HA SER 4 HA SER 4 20.366 -13.368 -31.091 22 1HB SER 4 1HB SER 4 19.559 -15.533 -29.145 23 2HB SER 4 2HB SER 4 18.521 -14.623 -30.244 24 HG SER 4 HG SER 4 19.684 -16.924 -30.706 25 H HIS 5 H HIS 5 20.827 -11.450 -30.103 26 HA HIS 5 HA HIS 5 19.731 -10.938 -27.561 27 1HB HIS 5 1HB HIS 5 22.133 -12.108 -27.223 28 2HB HIS 5 2HB HIS 5 22.653 -10.434 -27.392 29 HD1 HIS 5 HD1 HIS 5 23.314 -11.381 -24.762 30 HD2 HIS 5 HD2 HIS 5 19.428 -10.110 -25.632 31 HE1 HIS 5 HE1 HIS 5 22.242 -10.809 -22.534 32 HE2 HIS 5 HE2 HIS 5 19.897 -10.073 -23.088 33 H HIS 6 H HIS 6 19.999 -8.680 -26.909 34 HA HIS 6 HA HIS 6 19.995 -6.452 -27.330 35 1HB HIS 6 1HB HIS 6 22.472 -7.266 -28.066 36 2HB HIS 6 2HB HIS 6 21.898 -6.582 -29.584 37 HD1 HIS 6 HD1 HIS 6 20.218 -4.669 -27.154 38 HD2 HIS 6 HD2 HIS 6 24.165 -4.787 -28.525 39 HE1 HIS 6 HE1 HIS 6 21.249 -2.440 -26.525 40 HE2 HIS 6 HE2 HIS 6 23.649 -2.578 -27.282 41 H HIS 7 H HIS 7 18.054 -5.983 -28.142 42 HA HIS 7 HA HIS 7 17.482 -6.487 -30.965 43 1HB HIS 7 1HB HIS 7 15.831 -5.993 -28.540 44 2HB HIS 7 2HB HIS 7 15.175 -5.470 -30.086 45 HD1 HIS 7 HD1 HIS 7 13.766 -7.685 -28.529 46 HD2 HIS 7 HD2 HIS 7 16.730 -8.368 -31.393 47 HE1 HIS 7 HE1 HIS 7 13.423 -10.064 -29.344 48 HE2 HIS 7 HE2 HIS 7 15.282 -10.473 -30.997 49 H HIS 8 H HIS 8 17.767 -4.940 -32.407 50 HA HIS 8 HA HIS 8 18.227 -2.203 -31.594 51 1HB HIS 8 1HB HIS 8 18.746 -1.798 -33.978 52 2HB HIS 8 2HB HIS 8 19.691 -3.117 -33.303 53 HD1 HIS 8 HD1 HIS 8 18.648 -2.418 -36.382 54 HD2 HIS 8 HD2 HIS 8 17.564 -5.584 -33.877 55 HE1 HIS 8 HE1 HIS 8 17.819 -4.276 -37.898 56 HE2 HIS 8 HE2 HIS 8 17.265 -6.192 -36.364 57 H HIS 9 H HIS 9 15.696 -4.076 -33.088 58 HA HIS 9 HA HIS 9 14.237 -1.999 -34.281 59 1HB HIS 9 1HB HIS 9 13.569 -4.750 -33.330 60 2HB HIS 9 2HB HIS 9 12.249 -3.658 -33.740 61 HD1 HIS 9 HD1 HIS 9 11.448 -4.625 -35.899 62 HD2 HIS 9 HD2 HIS 9 15.586 -4.038 -35.815 63 HE1 HIS 9 HE1 HIS 9 12.276 -5.098 -38.249 64 HE2 HIS 9 HE2 HIS 9 14.779 -4.833 -38.142 65 H HIS 10 H HIS 10 13.554 -3.598 -31.152 66 HA HIS 10 HA HIS 10 13.269 -1.343 -29.601 67 1HB HIS 10 1HB HIS 10 10.670 -1.281 -29.535 68 2HB HIS 10 2HB HIS 10 11.512 -0.419 -30.819 69 HD1 HIS 10 HD1 HIS 10 11.306 -4.103 -31.171 70 HD2 HIS 10 HD2 HIS 10 9.161 -0.735 -32.405 71 HE1 HIS 10 HE1 HIS 10 9.747 -4.894 -33.009 72 HE2 HIS 10 HE2 HIS 10 8.532 -2.828 -33.788 73 H HIS 11 H HIS 11 12.894 -1.878 -27.500 74 HA HIS 11 HA HIS 11 12.361 -4.705 -26.953 75 1HB HIS 11 1HB HIS 11 13.329 -2.589 -25.020 76 2HB HIS 11 2HB HIS 11 13.337 -4.332 -24.777 77 HD1 HIS 11 HD1 HIS 11 15.391 -1.563 -25.971 78 HD2 HIS 11 HD2 HIS 11 15.232 -5.701 -26.534 79 HE1 HIS 11 HE1 HIS 11 17.643 -2.235 -26.931 80 HE2 HIS 11 HE2 HIS 11 17.480 -4.709 -27.333 81 H HIS 12 H HIS 12 10.046 -3.705 -27.674 82 HA HIS 12 HA HIS 12 8.531 -2.315 -25.770 83 1HB HIS 12 1HB HIS 12 7.881 -4.070 -28.096 84 2HB HIS 12 2HB HIS 12 6.590 -3.668 -26.966 85 HD1 HIS 12 HD1 HIS 12 5.676 -2.473 -29.274 86 HD2 HIS 12 HD2 HIS 12 8.900 -0.701 -27.290 87 HE1 HIS 12 HE1 HIS 12 5.801 -0.084 -30.122 88 HE2 HIS 12 HE2 HIS 12 7.798 0.930 -28.966 89 H GLU 13 H GLU 13 8.902 -3.107 -23.725 90 HA GLU 13 HA GLU 13 7.859 -5.805 -23.168 91 1HB GLU 13 1HB GLU 13 10.250 -4.419 -22.303 92 2HB GLU 13 2HB GLU 13 9.286 -4.923 -20.922 93 1HG GLU 13 1HG GLU 13 10.767 -6.685 -21.327 94 2HG GLU 13 2HG GLU 13 9.220 -7.220 -21.982 95 H ASN 14 H ASN 14 6.767 -6.061 -21.071 96 HA ASN 14 HA ASN 14 5.275 -3.626 -20.357 97 1HB ASN 14 1HB ASN 14 3.880 -5.342 -21.425 98 2HB ASN 14 2HB ASN 14 4.372 -6.510 -20.204 99 1HD2 ASN 14 1HD2 ASN 14 3.508 -3.107 -19.819 100 2HD2 ASN 14 2HD2 ASN 14 2.155 -3.385 -18.786 101 H LEU 15 H LEU 15 5.797 -2.832 -18.442 102 HA LEU 15 HA LEU 15 7.235 -4.372 -16.499 103 1HB LEU 15 1HB LEU 15 6.773 -1.625 -17.042 104 2HB LEU 15 2HB LEU 15 6.242 -1.926 -15.398 105 HG LEU 15 HG LEU 15 8.987 -2.538 -16.499 106 1HD1 LEU 15 1HD1 LEU 15 7.866 -0.116 -15.566 107 2HD1 LEU 15 2HD1 LEU 15 9.547 -0.461 -15.972 108 3HD1 LEU 15 3HD1 LEU 15 8.972 -0.700 -14.322 109 1HD2 LEU 15 1HD2 LEU 15 8.465 -4.144 -14.817 110 2HD2 LEU 15 2HD2 LEU 15 7.789 -2.903 -13.760 111 3HD2 LEU 15 3HD2 LEU 15 9.522 -2.934 -14.087 112 H TYR 16 H TYR 16 6.569 -4.923 -14.401 113 HA TYR 16 HA TYR 16 3.651 -5.140 -14.103 114 1HB TYR 16 1HB TYR 16 5.785 -7.053 -13.769 115 2HB TYR 16 2HB TYR 16 4.887 -6.877 -12.263 116 HD1 TYR 16 HD1 TYR 16 3.626 -6.618 -15.751 117 HD2 TYR 16 HD2 TYR 16 3.641 -8.854 -12.131 118 HE1 TYR 16 HE1 TYR 16 1.851 -8.064 -16.645 119 HE2 TYR 16 HE2 TYR 16 1.866 -10.307 -13.016 120 HH TYR 16 HH TYR 16 1.102 -10.976 -15.492 121 H PHE 17 H PHE 17 3.536 -3.022 -13.208 122 HA PHE 17 HA PHE 17 4.748 -2.689 -10.560 123 1HB PHE 17 1HB PHE 17 4.091 -0.319 -10.771 124 2HB PHE 17 2HB PHE 17 5.112 -0.839 -12.108 125 HD1 PHE 17 HD1 PHE 17 1.937 0.536 -11.143 126 HD2 PHE 17 HD2 PHE 17 4.047 -1.351 -14.319 127 HE1 PHE 17 HE1 PHE 17 0.245 1.338 -12.738 128 HE2 PHE 17 HE2 PHE 17 2.360 -0.553 -15.920 129 HZ PHE 17 HZ PHE 17 0.456 0.794 -15.132 130 H GLN 18 H GLN 18 2.554 -4.498 -10.993 131 HA GLN 18 HA GLN 18 0.195 -3.195 -9.944 132 1HB GLN 18 1HB GLN 18 0.868 -5.847 -11.051 133 2HB GLN 18 2HB GLN 18 -0.362 -5.853 -9.799 134 1HG GLN 18 1HG GLN 18 -1.131 -3.771 -11.431 135 2HG GLN 18 2HG GLN 18 -0.505 -4.968 -12.559 136 1HE2 GLN 18 1HE2 GLN 18 -2.096 -5.654 -9.484 137 2HE2 GLN 18 2HE2 GLN 18 -3.466 -6.446 -10.170 138 H GLY 19 H GLY 19 2.549 -3.066 -8.292 139 1HA GLY 19 1HA GLY 19 1.436 -4.302 -5.888 140 2HA GLY 19 2HA GLY 19 3.110 -4.650 -6.295 141 H SER 20 H SER 20 4.562 -2.755 -6.540 142 HA SER 20 HA SER 20 5.517 -0.846 -5.756 143 1HB SER 20 1HB SER 20 3.109 -0.006 -6.577 144 2HB SER 20 2HB SER 20 2.935 0.330 -4.854 145 HG SER 20 HG SER 20 5.288 1.149 -6.123 146 H LYS 21 H LYS 21 2.687 -1.220 -3.637 147 HA LYS 21 HA LYS 21 4.241 -2.177 -1.444 148 1HB LYS 21 1HB LYS 21 3.822 0.695 -1.741 149 2HB LYS 21 2HB LYS 21 3.202 0.082 -0.215 150 1HG LYS 21 1HG LYS 21 5.786 -1.038 -0.694 151 2HG LYS 21 2HG LYS 21 5.859 0.714 -0.891 152 1HD LYS 21 1HD LYS 21 5.490 1.102 1.300 153 2HD LYS 21 2HD LYS 21 4.326 -0.217 1.441 154 1HE LYS 21 1HE LYS 21 7.326 -0.522 1.331 155 2HE LYS 21 2HE LYS 21 6.340 -0.615 2.789 156 1HZ LYS 21 1HZ LYS 21 6.693 -2.563 0.659 157 2HZ LYS 21 2HZ LYS 21 5.126 -2.424 1.280 158 3HZ LYS 21 3HZ LYS 21 6.412 -2.801 2.312 159 H ARG 22 H ARG 22 1.336 -0.133 -1.818 160 HA ARG 22 HA ARG 22 -0.263 -2.348 -0.727 161 1HB ARG 22 1HB ARG 22 -0.751 0.558 -0.096 162 2HB ARG 22 2HB ARG 22 -1.489 -0.842 0.657 163 1HG ARG 22 1HG ARG 22 0.093 -0.895 2.199 164 2HG ARG 22 2HG ARG 22 1.341 -1.019 0.961 165 1HD ARG 22 1HD ARG 22 2.013 1.036 1.471 166 2HD ARG 22 2HD ARG 22 0.448 1.655 0.956 167 HE ARG 22 HE ARG 22 -0.257 1.700 3.181 168 1HH1 ARG 22 1HH1 ARG 22 3.002 0.461 2.913 169 2HH1 ARG 22 2HH1 ARG 22 3.346 0.667 4.595 170 1HH2 ARG 22 1HH2 ARG 22 0.198 1.956 5.390 171 2HH2 ARG 22 2HH2 ARG 22 1.756 1.512 6.002 172 H LYS 23 H LYS 23 -2.495 -2.363 -1.348 173 HA LYS 23 HA LYS 23 -3.173 -0.647 -3.629 174 1HB LYS 23 1HB LYS 23 -2.723 -3.498 -3.680 175 2HB LYS 23 2HB LYS 23 -4.383 -3.133 -4.136 176 1HG LYS 23 1HG LYS 23 -3.633 -1.672 -5.889 177 2HG LYS 23 2HG LYS 23 -1.954 -1.864 -5.379 178 1HD LYS 23 1HD LYS 23 -1.756 -3.648 -6.690 179 2HD LYS 23 2HD LYS 23 -3.051 -4.453 -5.802 180 1HE LYS 23 1HE LYS 23 -4.003 -4.451 -7.866 181 2HE LYS 23 2HE LYS 23 -4.548 -2.864 -7.322 182 1HZ LYS 23 1HZ LYS 23 -2.308 -2.114 -8.404 183 2HZ LYS 23 2HZ LYS 23 -3.681 -2.361 -9.362 184 3HZ LYS 23 3HZ LYS 23 -2.481 -3.544 -9.289 185 H ILE 24 H ILE 24 -5.048 0.340 -3.341 186 HA ILE 24 HA ILE 24 -6.928 -0.761 -1.368 187 HB ILE 24 HB ILE 24 -7.063 2.055 -2.385 188 1HG1 ILE 24 1HG1 ILE 24 -5.322 1.112 -0.097 189 2HG1 ILE 24 2HG1 ILE 24 -4.731 1.690 -1.651 190 1HG2 ILE 24 1HG2 ILE 24 -8.929 1.355 -1.078 191 2HG2 ILE 24 2HG2 ILE 24 -7.950 2.436 -0.085 192 3HG2 ILE 24 3HG2 ILE 24 -7.875 0.695 0.171 193 1HD1 ILE 24 1HD1 ILE 24 -4.527 3.450 -0.062 194 2HD1 ILE 24 2HD1 ILE 24 -6.208 3.267 0.439 195 3HD1 ILE 24 3HD1 ILE 24 -5.829 3.870 -1.175 196 H ILE 25 H ILE 25 -9.258 -0.526 -1.807 197 HA ILE 25 HA ILE 25 -9.845 -0.339 -4.668 198 HB ILE 25 HB ILE 25 -11.386 -2.164 -2.854 199 1HG1 ILE 25 1HG1 ILE 25 -8.791 -2.653 -4.226 200 2HG1 ILE 25 2HG1 ILE 25 -9.460 -3.400 -2.786 201 1HG2 ILE 25 1HG2 ILE 25 -11.376 -1.428 -5.719 202 2HG2 ILE 25 2HG2 ILE 25 -12.722 -1.803 -4.646 203 3HG2 ILE 25 3HG2 ILE 25 -11.753 -3.105 -5.328 204 1HD1 ILE 25 1HD1 ILE 25 -11.097 -4.483 -4.577 205 2HD1 ILE 25 2HD1 ILE 25 -9.532 -5.186 -4.171 206 3HD1 ILE 25 3HD1 ILE 25 -9.705 -4.203 -5.620 207 H VAL 26 H VAL 26 -11.800 0.594 -5.252 208 HA VAL 26 HA VAL 26 -13.247 1.931 -3.049 209 HB VAL 26 HB VAL 26 -12.833 3.035 -5.829 210 1HG1 VAL 26 1HG1 VAL 26 -14.819 3.629 -4.069 211 2HG1 VAL 26 2HG1 VAL 26 -14.194 4.735 -5.291 212 3HG1 VAL 26 3HG1 VAL 26 -13.596 4.824 -3.636 213 1HG2 VAL 26 1HG2 VAL 26 -11.353 3.507 -3.267 214 2HG2 VAL 26 2HG2 VAL 26 -11.421 4.738 -4.527 215 3HG2 VAL 26 3HG2 VAL 26 -10.712 3.159 -4.872 216 H ALA 27 H ALA 27 -15.316 1.258 -2.894 217 HA ALA 27 HA ALA 27 -16.630 0.342 -5.363 218 1HB ALA 27 1HB ALA 27 -16.430 -1.587 -4.067 219 2HB ALA 27 2HB ALA 27 -18.073 -1.032 -3.742 220 3HB ALA 27 3HB ALA 27 -16.791 -0.727 -2.570 221 H CYS 28 H CYS 28 -18.262 1.521 -6.020 222 HA CYS 28 HA CYS 28 -20.110 2.704 -4.108 223 1HB CYS 28 1HB CYS 28 -18.080 4.290 -4.886 224 2HB CYS 28 2HB CYS 28 -19.198 4.586 -6.214 225 HG CYS 28 HG CYS 28 -20.113 5.081 -3.288 226 H GLY 29 H GLY 29 -19.258 2.735 -7.574 227 1HA GLY 29 1HA GLY 29 -21.326 1.265 -8.570 228 2HA GLY 29 2HA GLY 29 -22.020 2.865 -8.363 229 H GLY 30 H GLY 30 -21.759 4.309 -9.957 230 1HA GLY 30 1HA GLY 30 -19.853 3.605 -12.100 231 2HA GLY 30 2HA GLY 30 -21.364 4.461 -12.358 232 H ALA 31 H ALA 31 -21.353 6.642 -12.348 233 HA ALA 31 HA ALA 31 -19.140 8.066 -11.091 234 1HB ALA 31 1HB ALA 31 -18.489 9.262 -13.038 235 2HB ALA 31 2HB ALA 31 -19.811 8.572 -13.980 236 3HB ALA 31 3HB ALA 31 -18.475 7.548 -13.454 237 H VAL 32 H VAL 32 -20.294 9.285 -9.740 238 HA VAL 32 HA VAL 32 -22.349 11.039 -10.905 239 HB VAL 32 HB VAL 32 -22.705 10.165 -8.082 240 1HG1 VAL 32 1HG1 VAL 32 -24.056 11.845 -9.686 241 2HG1 VAL 32 2HG1 VAL 32 -24.792 10.971 -8.342 242 3HG1 VAL 32 3HG1 VAL 32 -24.946 10.352 -9.986 243 1HG2 VAL 32 1HG2 VAL 32 -22.813 7.996 -8.615 244 2HG2 VAL 32 2HG2 VAL 32 -22.808 8.327 -10.347 245 3HG2 VAL 32 3HG2 VAL 32 -24.317 8.398 -9.442 246 H ALA 33 H ALA 33 -19.630 11.665 -10.473 247 HA ALA 33 HA ALA 33 -18.453 13.484 -9.748 248 1HB ALA 33 1HB ALA 33 -19.698 15.271 -9.324 249 2HB ALA 33 2HB ALA 33 -20.133 14.629 -7.741 250 3HB ALA 33 3HB ALA 33 -21.111 14.231 -9.153 251 H THR 34 H THR 34 -20.141 11.495 -7.394 252 HA THR 34 HA THR 34 -18.516 12.061 -5.169 253 HB THR 34 HB THR 34 -19.704 9.350 -5.537 254 HG1 THR 34 HG1 THR 34 -21.736 10.092 -5.431 255 1HG2 THR 34 1HG2 THR 34 -18.688 10.089 -3.388 256 2HG2 THR 34 2HG2 THR 34 -20.373 9.582 -3.275 257 3HG2 THR 34 3HG2 THR 34 -19.966 11.299 -3.271 258 H SER 35 H SER 35 -18.371 9.477 -7.602 259 HA SER 35 HA SER 35 -16.121 8.162 -6.562 260 1HB SER 35 1HB SER 35 -17.841 7.572 -8.524 261 2HB SER 35 2HB SER 35 -16.521 8.198 -9.511 262 HG SER 35 HG SER 35 -16.706 5.854 -8.113 263 H THR 36 H THR 36 -16.343 10.521 -9.232 264 HA THR 36 HA THR 36 -13.625 10.722 -9.780 265 HB THR 36 HB THR 36 -14.189 13.001 -10.683 266 HG1 THR 36 HG1 THR 36 -16.174 13.799 -10.434 267 1HG2 THR 36 1HG2 THR 36 -15.400 10.488 -11.502 268 2HG2 THR 36 2HG2 THR 36 -14.591 11.730 -12.458 269 3HG2 THR 36 3HG2 THR 36 -16.295 11.909 -12.039 270 H MET 37 H MET 37 -15.476 12.084 -7.178 271 HA MET 37 HA MET 37 -13.599 14.089 -6.425 272 1HB MET 37 1HB MET 37 -15.937 12.792 -5.053 273 2HB MET 37 2HB MET 37 -14.871 13.870 -4.164 274 1HG MET 37 1HG MET 37 -16.564 14.533 -6.556 275 2HG MET 37 2HG MET 37 -16.748 15.128 -4.912 276 1HE MET 37 1HE MET 37 -14.650 15.936 -3.733 277 2HE MET 37 2HE MET 37 -14.160 17.545 -4.264 278 3HE MET 37 3HE MET 37 -13.126 16.155 -4.592 279 H ALA 38 H ALA 38 -14.328 10.862 -5.081 280 HA ALA 38 HA ALA 38 -12.297 10.873 -3.155 281 1HB ALA 38 1HB ALA 38 -12.550 8.357 -3.265 282 2HB ALA 38 2HB ALA 38 -13.729 8.624 -4.548 283 3HB ALA 38 3HB ALA 38 -14.022 9.271 -2.933 284 H ALA 39 H ALA 39 -12.326 9.214 -6.324 285 HA ALA 39 HA ALA 39 -9.785 8.235 -6.398 286 1HB ALA 39 1HB ALA 39 -11.635 8.110 -8.173 287 2HB ALA 39 2HB ALA 39 -9.959 8.112 -8.722 288 3HB ALA 39 3HB ALA 39 -10.922 9.586 -8.821 289 H GLU 40 H GLU 40 -10.704 11.479 -7.574 290 HA GLU 40 HA GLU 40 -8.064 12.319 -8.078 291 1HB GLU 40 1HB GLU 40 -10.724 13.574 -7.963 292 2HB GLU 40 2HB GLU 40 -9.388 14.658 -7.614 293 1HG GLU 40 1HG GLU 40 -8.685 13.121 -9.888 294 2HG GLU 40 2HG GLU 40 -10.321 13.736 -10.128 295 H GLU 41 H GLU 41 -10.155 12.694 -5.233 296 HA GLU 41 HA GLU 41 -8.414 14.370 -3.784 297 1HB GLU 41 1HB GLU 41 -10.864 12.887 -3.250 298 2HB GLU 41 2HB GLU 41 -9.794 12.922 -1.861 299 1HG GLU 41 1HG GLU 41 -9.657 15.485 -2.487 300 2HG GLU 41 2HG GLU 41 -11.228 15.138 -3.209 301 H ILE 42 H ILE 42 -8.913 10.843 -3.568 302 HA ILE 42 HA ILE 42 -6.898 10.383 -1.662 303 HB ILE 42 HB ILE 42 -7.735 8.386 -3.760 304 1HG1 ILE 42 1HG1 ILE 42 -9.776 9.271 -2.811 305 2HG1 ILE 42 2HG1 ILE 42 -9.489 7.681 -2.130 306 1HG2 ILE 42 1HG2 ILE 42 -6.140 8.309 -1.334 307 2HG2 ILE 42 2HG2 ILE 42 -6.271 7.131 -2.640 308 3HG2 ILE 42 3HG2 ILE 42 -7.444 7.122 -1.323 309 1HD1 ILE 42 1HD1 ILE 42 -9.114 10.352 -0.822 310 2HD1 ILE 42 2HD1 ILE 42 -8.472 8.855 -0.148 311 3HD1 ILE 42 3HD1 ILE 42 -10.212 9.049 -0.364 312 H LYS 43 H LYS 43 -6.799 10.651 -5.162 313 HA LYS 43 HA LYS 43 -4.187 9.588 -5.497 314 1HB LYS 43 1HB LYS 43 -6.214 10.763 -7.173 315 2HB LYS 43 2HB LYS 43 -4.651 11.459 -7.558 316 1HG LYS 43 1HG LYS 43 -3.887 9.566 -8.478 317 2HG LYS 43 2HG LYS 43 -4.653 8.542 -7.264 318 1HD LYS 43 1HD LYS 43 -5.871 7.967 -9.120 319 2HD LYS 43 2HD LYS 43 -6.854 9.292 -8.494 320 1HE LYS 43 1HE LYS 43 -6.413 10.608 -10.257 321 2HE LYS 43 2HE LYS 43 -4.712 10.146 -10.294 322 1HZ LYS 43 1HZ LYS 43 -5.431 8.027 -11.341 323 2HZ LYS 43 2HZ LYS 43 -5.728 9.394 -12.290 324 3HZ LYS 43 3HZ LYS 43 -6.999 8.654 -11.454 325 H GLU 44 H GLU 44 -5.388 12.946 -5.422 326 HA GLU 44 HA GLU 44 -2.913 14.211 -5.617 327 1HB GLU 44 1HB GLU 44 -4.016 16.185 -4.681 328 2HB GLU 44 2HB GLU 44 -5.035 15.400 -5.879 329 1HG GLU 44 1HG GLU 44 -6.442 14.484 -4.202 330 2HG GLU 44 2HG GLU 44 -5.333 14.968 -2.921 331 H LEU 45 H LEU 45 -4.629 12.982 -2.781 332 HA LEU 45 HA LEU 45 -2.841 14.074 -0.872 333 1HB LEU 45 1HB LEU 45 -5.165 13.272 -0.400 334 2HB LEU 45 2HB LEU 45 -4.584 11.627 -0.581 335 HG LEU 45 HG LEU 45 -2.851 12.738 1.286 336 1HD1 LEU 45 1HD1 LEU 45 -4.128 14.665 1.707 337 2HD1 LEU 45 2HD1 LEU 45 -4.519 13.551 3.018 338 3HD1 LEU 45 3HD1 LEU 45 -5.646 13.766 1.679 339 1HD2 LEU 45 1HD2 LEU 45 -5.050 10.782 1.238 340 2HD2 LEU 45 2HD2 LEU 45 -4.609 11.396 2.831 341 3HD2 LEU 45 3HD2 LEU 45 -3.393 10.619 1.819 342 H CYS 46 H CYS 46 -3.151 10.819 -2.262 343 HA CYS 46 HA CYS 46 -1.049 9.578 -0.952 344 1HB CYS 46 1HB CYS 46 -2.547 9.130 -3.451 345 2HB CYS 46 2HB CYS 46 -0.950 8.392 -3.406 346 HG CYS 46 HG CYS 46 -3.015 7.755 -1.174 347 H GLN 47 H GLN 47 -0.993 11.674 -3.779 348 HA GLN 47 HA GLN 47 1.830 11.257 -4.225 349 1HB GLN 47 1HB GLN 47 0.217 11.680 -6.079 350 2HB GLN 47 2HB GLN 47 0.009 13.317 -5.473 351 1HG GLN 47 1HG GLN 47 2.800 12.674 -5.845 352 2HG GLN 47 2HG GLN 47 1.874 12.438 -7.327 353 1HE2 GLN 47 1HE2 GLN 47 3.502 14.639 -5.444 354 2HE2 GLN 47 2HE2 GLN 47 2.899 16.097 -6.147 355 H SER 48 H SER 48 -0.193 13.501 -2.528 356 HA SER 48 HA SER 48 1.421 15.744 -2.368 357 1HB SER 48 1HB SER 48 -0.602 14.539 -0.518 358 2HB SER 48 2HB SER 48 0.350 15.917 0.030 359 HG SER 48 HG SER 48 -1.022 15.922 -2.441 360 H HIS 49 H HIS 49 1.495 12.840 -0.333 361 HA HIS 49 HA HIS 49 3.986 13.801 0.881 362 1HB HIS 49 1HB HIS 49 2.055 13.018 2.321 363 2HB HIS 49 2HB HIS 49 2.370 11.397 1.717 364 HD1 HIS 49 HD1 HIS 49 3.972 10.039 3.013 365 HD2 HIS 49 HD2 HIS 49 4.437 14.138 3.692 366 HE1 HIS 49 HE1 HIS 49 5.723 10.257 4.832 367 HE2 HIS 49 HE2 HIS 49 5.924 12.730 5.274 368 H ASN 50 H ASN 50 3.328 12.258 -1.816 369 HA ASN 50 HA ASN 50 4.411 10.801 -3.170 370 1HB ASN 50 1HB ASN 50 6.537 11.546 -1.198 371 2HB ASN 50 2HB ASN 50 6.859 10.284 -2.381 372 1HD2 ASN 50 1HD2 ASN 50 6.023 13.657 -1.957 373 2HD2 ASN 50 2HD2 ASN 50 6.567 14.183 -3.509 374 H ILE 51 H ILE 51 2.650 9.400 -1.936 375 HA ILE 51 HA ILE 51 4.002 7.136 -0.630 376 HB ILE 51 HB ILE 51 1.048 7.755 -0.625 377 1HG1 ILE 51 1HG1 ILE 51 2.681 8.085 1.835 378 2HG1 ILE 51 2HG1 ILE 51 2.854 9.326 0.598 379 1HG2 ILE 51 1HG2 ILE 51 2.695 5.555 0.374 380 2HG2 ILE 51 2HG2 ILE 51 0.967 5.617 0.027 381 3HG2 ILE 51 3HG2 ILE 51 1.579 6.220 1.567 382 1HD1 ILE 51 1HD1 ILE 51 0.267 8.471 1.872 383 2HD1 ILE 51 2HD1 ILE 51 0.460 9.736 0.658 384 3HD1 ILE 51 3HD1 ILE 51 1.178 9.929 2.257 385 HA PRO 52 HA PRO 52 3.221 5.472 -4.866 386 1HB PRO 52 1HB PRO 52 4.929 3.365 -3.636 387 2HB PRO 52 2HB PRO 52 5.044 4.122 -5.228 388 1HG PRO 52 1HG PRO 52 6.747 4.776 -3.286 389 2HG PRO 52 2HG PRO 52 6.122 6.001 -4.406 390 1HD PRO 52 1HD PRO 52 5.366 5.463 -1.569 391 2HD PRO 52 2HD PRO 52 5.485 7.006 -2.437 392 H VAL 53 H VAL 53 1.295 4.565 -5.106 393 HA VAL 53 HA VAL 53 0.710 1.981 -3.979 394 HB VAL 53 HB VAL 53 -1.568 2.796 -3.111 395 1HG1 VAL 53 1HG1 VAL 53 0.084 1.905 -1.602 396 2HG1 VAL 53 2HG1 VAL 53 -0.669 3.322 -0.871 397 3HG1 VAL 53 3HG1 VAL 53 0.939 3.445 -1.571 398 1HG2 VAL 53 1HG2 VAL 53 -0.719 5.217 -4.041 399 2HG2 VAL 53 2HG2 VAL 53 -0.407 5.352 -2.310 400 3HG2 VAL 53 3HG2 VAL 53 -2.029 4.966 -2.886 401 H GLU 54 H GLU 54 -1.557 1.280 -4.699 402 HA GLU 54 HA GLU 54 -2.224 2.536 -7.282 403 1HB GLU 54 1HB GLU 54 -2.509 -0.418 -6.861 404 2HB GLU 54 2HB GLU 54 -2.411 0.474 -8.368 405 1HG GLU 54 1HG GLU 54 -0.010 0.822 -6.819 406 2HG GLU 54 2HG GLU 54 -0.362 -0.887 -7.062 407 H LEU 55 H LEU 55 -4.222 3.305 -7.258 408 HA LEU 55 HA LEU 55 -6.159 2.221 -5.357 409 1HB LEU 55 1HB LEU 55 -5.620 4.713 -5.598 410 2HB LEU 55 2HB LEU 55 -6.519 4.644 -7.100 411 HG LEU 55 HG LEU 55 -7.973 3.549 -4.795 412 1HD1 LEU 55 1HD1 LEU 55 -8.537 6.004 -4.136 413 2HD1 LEU 55 2HD1 LEU 55 -6.939 6.352 -4.798 414 3HD1 LEU 55 3HD1 LEU 55 -7.110 5.220 -3.456 415 1HD2 LEU 55 1HD2 LEU 55 -8.676 5.661 -6.830 416 2HD2 LEU 55 2HD2 LEU 55 -9.793 4.798 -5.774 417 3HD2 LEU 55 3HD2 LEU 55 -8.931 3.930 -7.045 418 H ILE 56 H ILE 56 -7.567 0.774 -6.009 419 HA ILE 56 HA ILE 56 -8.337 0.685 -8.850 420 HB ILE 56 HB ILE 56 -7.200 -1.340 -7.938 421 1HG1 ILE 56 1HG1 ILE 56 -9.131 -2.931 -8.690 422 2HG1 ILE 56 2HG1 ILE 56 -9.970 -1.434 -9.067 423 1HG2 ILE 56 1HG2 ILE 56 -9.127 -2.739 -6.635 424 2HG2 ILE 56 2HG2 ILE 56 -9.337 -1.126 -5.971 425 3HG2 ILE 56 3HG2 ILE 56 -7.771 -1.923 -5.862 426 1HD1 ILE 56 1HD1 ILE 56 -7.917 -2.804 -10.530 427 2HD1 ILE 56 2HD1 ILE 56 -7.446 -1.140 -10.187 428 3HD1 ILE 56 3HD1 ILE 56 -8.958 -1.470 -11.031 429 H GLN 57 H GLN 57 -10.575 0.321 -9.402 430 HA GLN 57 HA GLN 57 -12.419 1.006 -7.218 431 1HB GLN 57 1HB GLN 57 -13.863 2.018 -8.974 432 2HB GLN 57 2HB GLN 57 -12.313 2.830 -8.797 433 1HG GLN 57 1HG GLN 57 -12.159 0.743 -10.775 434 2HG GLN 57 2HG GLN 57 -13.462 1.872 -11.142 435 1HE2 GLN 57 1HE2 GLN 57 -12.972 4.022 -11.581 436 2HE2 GLN 57 2HE2 GLN 57 -11.370 4.539 -11.967 437 H CYS 58 H CYS 58 -14.430 -0.103 -7.167 438 HA CYS 58 HA CYS 58 -14.984 -2.179 -9.097 439 1HB CYS 58 1HB CYS 58 -13.700 -2.754 -6.508 440 2HB CYS 58 2HB CYS 58 -15.133 -3.714 -6.839 441 HG CYS 58 HG CYS 58 -13.874 -5.030 -8.490 442 H ARG 59 H ARG 59 -17.027 -3.423 -8.411 443 HA ARG 59 HA ARG 59 -18.974 -1.488 -7.531 444 1HB ARG 59 1HB ARG 59 -19.032 -4.209 -8.764 445 2HB ARG 59 2HB ARG 59 -20.469 -3.642 -7.934 446 1HG ARG 59 1HG ARG 59 -20.708 -3.134 -10.242 447 2HG ARG 59 2HG ARG 59 -20.420 -1.616 -9.388 448 1HD ARG 59 1HD ARG 59 -17.885 -2.384 -10.014 449 2HD ARG 59 2HD ARG 59 -18.783 -2.995 -11.396 450 HE ARG 59 HE ARG 59 -18.450 -0.205 -10.614 451 1HH1 ARG 59 1HH1 ARG 59 -19.883 -2.534 -12.792 452 2HH1 ARG 59 2HH1 ARG 59 -20.265 -1.352 -13.996 453 1HH2 ARG 59 1HH2 ARG 59 -18.960 1.343 -12.191 454 2HH2 ARG 59 2HH2 ARG 59 -19.743 0.851 -13.656 455 H VAL 60 H VAL 60 -20.865 -3.011 -6.241 456 HA VAL 60 HA VAL 60 -19.845 -3.077 -3.592 457 HB VAL 60 HB VAL 60 -22.124 -4.108 -3.061 458 1HG1 VAL 60 1HG1 VAL 60 -21.973 -1.861 -2.583 459 2HG1 VAL 60 2HG1 VAL 60 -23.270 -1.873 -3.778 460 3HG1 VAL 60 3HG1 VAL 60 -21.634 -1.419 -4.256 461 1HG2 VAL 60 1HG2 VAL 60 -23.796 -4.151 -4.719 462 2HG2 VAL 60 2HG2 VAL 60 -22.402 -4.955 -5.440 463 3HG2 VAL 60 3HG2 VAL 60 -22.783 -3.289 -5.877 464 H ASN 61 H ASN 61 -20.044 -5.463 -6.068 465 HA ASN 61 HA ASN 61 -19.157 -7.488 -4.133 466 1HB ASN 61 1HB ASN 61 -20.429 -9.168 -5.611 467 2HB ASN 61 2HB ASN 61 -21.371 -8.170 -4.507 468 1HD2 ASN 61 1HD2 ASN 61 -20.304 -8.456 -7.850 469 2HD2 ASN 61 2HD2 ASN 61 -21.657 -7.634 -8.541 470 H GLU 62 H GLU 62 -17.142 -6.440 -5.144 471 HA GLU 62 HA GLU 62 -16.221 -8.233 -7.259 472 1HB GLU 62 1HB GLU 62 -15.727 -5.262 -7.398 473 2HB GLU 62 2HB GLU 62 -15.242 -6.468 -8.575 474 1HG GLU 62 1HG GLU 62 -18.069 -5.687 -7.910 475 2HG GLU 62 2HG GLU 62 -17.161 -5.182 -9.334 476 H ILE 63 H ILE 63 -15.476 -5.879 -4.743 477 HA ILE 63 HA ILE 63 -12.713 -6.026 -4.720 478 HB ILE 63 HB ILE 63 -14.600 -5.775 -2.378 479 1HG1 ILE 63 1HG1 ILE 63 -13.184 -3.804 -4.164 480 2HG1 ILE 63 2HG1 ILE 63 -14.910 -3.963 -3.887 481 1HG2 ILE 63 1HG2 ILE 63 -11.797 -6.233 -2.360 482 2HG2 ILE 63 2HG2 ILE 63 -12.861 -5.887 -0.999 483 3HG2 ILE 63 3HG2 ILE 63 -12.077 -4.565 -1.862 484 1HD1 ILE 63 1HD1 ILE 63 -13.122 -3.266 -1.618 485 2HD1 ILE 63 2HD1 ILE 63 -14.820 -2.874 -1.871 486 3HD1 ILE 63 3HD1 ILE 63 -13.572 -2.029 -2.787 487 H GLU 64 H GLU 64 -15.082 -8.243 -3.354 488 HA GLU 64 HA GLU 64 -13.321 -9.886 -1.910 489 1HB GLU 64 1HB GLU 64 -15.758 -9.952 -1.623 490 2HB GLU 64 2HB GLU 64 -15.940 -10.590 -3.250 491 1HG GLU 64 1HG GLU 64 -14.307 -12.449 -2.286 492 2HG GLU 64 2HG GLU 64 -15.046 -11.935 -0.771 493 H THR 65 H THR 65 -14.465 -10.046 -5.256 494 HA THR 65 HA THR 65 -13.095 -12.468 -5.859 495 HB THR 65 HB THR 65 -13.580 -11.703 -8.269 496 HG1 THR 65 HG1 THR 65 -15.188 -10.042 -8.337 497 1HG2 THR 65 1HG2 THR 65 -15.373 -12.962 -8.045 498 2HG2 THR 65 2HG2 THR 65 -16.223 -11.617 -7.285 499 3HG2 THR 65 3HG2 THR 65 -15.311 -12.755 -6.294 500 H TYR 66 H TYR 66 -12.356 -9.038 -6.335 501 HA TYR 66 HA TYR 66 -9.808 -9.704 -7.579 502 1HB TYR 66 1HB TYR 66 -11.028 -7.004 -6.962 503 2HB TYR 66 2HB TYR 66 -9.540 -7.269 -7.864 504 HD1 TYR 66 HD1 TYR 66 -9.703 -7.137 -10.173 505 HD2 TYR 66 HD2 TYR 66 -13.097 -8.414 -7.963 506 HE1 TYR 66 HE1 TYR 66 -11.015 -7.259 -12.252 507 HE2 TYR 66 HE2 TYR 66 -14.417 -8.540 -10.022 508 HH TYR 66 HH TYR 66 -12.949 -8.119 -13.172 509 H MET 67 H MET 67 -10.700 -9.949 -4.566 510 HA MET 67 HA MET 67 -8.813 -8.299 -3.167 511 1HB MET 67 1HB MET 67 -11.069 -9.667 -2.426 512 2HB MET 67 2HB MET 67 -9.803 -10.691 -1.777 513 1HG MET 67 1HG MET 67 -9.963 -7.738 -1.247 514 2HG MET 67 2HG MET 67 -10.709 -8.954 -0.218 515 1HE MET 67 1HE MET 67 -8.567 -8.009 2.129 516 2HE MET 67 2HE MET 67 -9.210 -6.963 0.863 517 3HE MET 67 3HE MET 67 -7.468 -7.082 1.107 518 H ASP 68 H ASP 68 -7.301 -9.522 -5.065 519 HA ASP 68 HA ASP 68 -6.111 -11.930 -4.016 520 1HB ASP 68 1HB ASP 68 -4.952 -10.280 -6.251 521 2HB ASP 68 2HB ASP 68 -4.852 -12.019 -6.000 522 H GLY 69 H GLY 69 -5.152 -8.537 -4.422 523 1HA GLY 69 1HA GLY 69 -3.236 -8.884 -2.233 524 2HA GLY 69 2HA GLY 69 -2.618 -8.289 -3.767 525 H VAL 70 H VAL 70 -5.460 -7.589 -1.710 526 HA VAL 70 HA VAL 70 -5.002 -4.733 -2.198 527 HB VAL 70 HB VAL 70 -7.422 -6.027 -0.939 528 1HG1 VAL 70 1HG1 VAL 70 -7.217 -3.334 -2.263 529 2HG1 VAL 70 2HG1 VAL 70 -6.952 -3.577 -0.538 530 3HG1 VAL 70 3HG1 VAL 70 -8.514 -3.959 -1.250 531 1HG2 VAL 70 1HG2 VAL 70 -6.670 -6.458 -3.505 532 2HG2 VAL 70 2HG2 VAL 70 -7.625 -4.990 -3.681 533 3HG2 VAL 70 3HG2 VAL 70 -8.341 -6.424 -2.952 534 H HIS 71 H HIS 71 -4.318 -3.390 -0.620 535 HA HIS 71 HA HIS 71 -3.799 -4.526 2.021 536 1HB HIS 71 1HB HIS 71 -2.227 -3.025 0.444 537 2HB HIS 71 2HB HIS 71 -2.989 -1.746 1.378 538 HD1 HIS 71 HD1 HIS 71 -2.159 -1.344 3.715 539 HD2 HIS 71 HD2 HIS 71 -0.670 -4.864 2.022 540 HE1 HIS 71 HE1 HIS 71 -0.354 -2.176 5.291 541 HE2 HIS 71 HE2 HIS 71 0.592 -4.236 4.191 542 H LEU 72 H LEU 72 -6.039 -2.434 0.497 543 HA LEU 72 HA LEU 72 -7.397 -1.935 3.002 544 1HB LEU 72 1HB LEU 72 -6.280 0.298 1.326 545 2HB LEU 72 2HB LEU 72 -7.570 0.533 2.484 546 HG LEU 72 HG LEU 72 -4.930 -0.614 3.324 547 1HD1 LEU 72 1HD1 LEU 72 -4.988 2.088 4.017 548 2HD1 LEU 72 2HD1 LEU 72 -5.437 2.026 2.313 549 3HD1 LEU 72 3HD1 LEU 72 -3.923 1.301 2.853 550 1HD2 LEU 72 1HD2 LEU 72 -7.057 -0.658 4.752 551 2HD2 LEU 72 2HD2 LEU 72 -6.849 1.087 4.883 552 3HD2 LEU 72 3HD2 LEU 72 -5.595 0.004 5.486 553 H ILE 73 H ILE 73 -9.596 -1.557 2.715 554 HA ILE 73 HA ILE 73 -10.500 -1.405 -0.086 555 HB ILE 73 HB ILE 73 -11.404 -3.223 2.110 556 1HG1 ILE 73 1HG1 ILE 73 -11.471 -4.778 0.063 557 2HG1 ILE 73 2HG1 ILE 73 -10.572 -3.508 -0.754 558 1HG2 ILE 73 1HG2 ILE 73 -13.076 -2.101 -0.086 559 2HG2 ILE 73 2HG2 ILE 73 -13.515 -2.476 1.577 560 3HG2 ILE 73 3HG2 ILE 73 -13.314 -3.776 0.405 561 1HD1 ILE 73 1HD1 ILE 73 -8.845 -3.684 1.017 562 2HD1 ILE 73 2HD1 ILE 73 -9.043 -5.153 0.070 563 3HD1 ILE 73 3HD1 ILE 73 -9.727 -5.047 1.684 564 H CYS 74 H CYS 74 -12.285 -0.151 -0.521 565 HA CYS 74 HA CYS 74 -13.443 1.312 1.755 566 1HB CYS 74 1HB CYS 74 -12.588 2.446 -0.915 567 2HB CYS 74 2HB CYS 74 -13.592 3.313 0.243 568 HG CYS 74 HG CYS 74 -10.678 3.361 0.297 569 H THR 75 H THR 75 -15.437 0.464 1.898 570 HA THR 75 HA THR 75 -17.046 0.386 -0.568 571 HB THR 75 HB THR 75 -18.427 -1.324 0.889 572 HG1 THR 75 HG1 THR 75 -15.821 -1.749 1.904 573 1HG2 THR 75 1HG2 THR 75 -17.725 -2.422 -0.934 574 2HG2 THR 75 2HG2 THR 75 -16.545 -3.107 0.182 575 3HG2 THR 75 3HG2 THR 75 -16.098 -1.748 -0.848 576 H THR 76 H THR 76 -19.070 1.282 -0.533 577 HA THR 76 HA THR 76 -19.590 3.179 1.573 578 HB THR 76 HB THR 76 -21.414 3.950 0.170 579 HG1 THR 76 HG1 THR 76 -22.000 1.752 -0.517 580 1HG2 THR 76 1HG2 THR 76 -19.967 5.009 -1.118 581 2HG2 THR 76 2HG2 THR 76 -19.789 3.568 -2.121 582 3HG2 THR 76 3HG2 THR 76 -18.737 3.808 -0.726 583 H ALA 77 H ALA 77 -19.797 1.334 3.167 584 HA ALA 77 HA ALA 77 -21.049 0.006 4.544 585 1HB ALA 77 1HB ALA 77 -22.226 2.313 4.564 586 2HB ALA 77 2HB ALA 77 -23.045 0.920 5.268 587 3HB ALA 77 3HB ALA 77 -23.491 1.485 3.657 588 H ARG 78 H ARG 78 -20.722 -1.888 3.265 589 HA ARG 78 HA ARG 78 -23.215 -2.977 2.262 590 1HB ARG 78 1HB ARG 78 -21.984 -1.856 0.326 591 2HB ARG 78 2HB ARG 78 -20.761 -3.105 0.516 592 1HG ARG 78 1HG ARG 78 -22.127 -3.915 -1.173 593 2HG ARG 78 2HG ARG 78 -22.687 -4.769 0.263 594 1HD ARG 78 1HD ARG 78 -24.336 -2.713 0.413 595 2HD ARG 78 2HD ARG 78 -24.014 -2.625 -1.318 596 HE ARG 78 HE ARG 78 -25.199 -4.574 -1.622 597 1HH1 ARG 78 1HH1 ARG 78 -24.686 -4.051 1.792 598 2HH1 ARG 78 2HH1 ARG 78 -25.775 -5.304 2.275 599 1HH2 ARG 78 1HH2 ARG 78 -26.634 -6.224 -0.982 600 2HH2 ARG 78 2HH2 ARG 78 -26.879 -6.538 0.703 601 H VAL 79 H VAL 79 -19.730 -3.687 2.263 602 HA VAL 79 HA VAL 79 -20.050 -6.469 2.692 603 HB VAL 79 HB VAL 79 -18.039 -5.277 1.706 604 1HG1 VAL 79 1HG1 VAL 79 -17.905 -3.696 3.707 605 2HG1 VAL 79 2HG1 VAL 79 -16.397 -4.339 3.069 606 3HG1 VAL 79 3HG1 VAL 79 -17.093 -5.020 4.538 607 1HG2 VAL 79 1HG2 VAL 79 -16.937 -7.073 3.757 608 2HG2 VAL 79 2HG2 VAL 79 -16.831 -7.151 2.000 609 3HG2 VAL 79 3HG2 VAL 79 -18.283 -7.722 2.821 610 H ASP 80 H ASP 80 -18.940 -7.572 4.649 611 HA ASP 80 HA ASP 80 -20.092 -6.380 7.068 612 1HB ASP 80 1HB ASP 80 -20.012 -8.634 8.013 613 2HB ASP 80 2HB ASP 80 -20.852 -8.639 6.466 614 H ARG 81 H ARG 81 -17.065 -7.234 5.642 615 HA ARG 81 HA ARG 81 -14.899 -7.040 6.344 616 1HB ARG 81 1HB ARG 81 -15.726 -4.713 6.826 617 2HB ARG 81 2HB ARG 81 -16.020 -5.223 8.483 618 1HG ARG 81 1HG ARG 81 -13.343 -5.909 7.752 619 2HG ARG 81 2HG ARG 81 -13.644 -4.215 7.371 620 1HD ARG 81 1HD ARG 81 -14.332 -5.433 10.028 621 2HD ARG 81 2HD ARG 81 -12.768 -4.698 9.691 622 HE ARG 81 HE ARG 81 -15.342 -3.325 9.894 623 1HH1 ARG 81 1HH1 ARG 81 -11.890 -3.126 9.356 624 2HH1 ARG 81 2HH1 ARG 81 -11.822 -1.423 9.655 625 1HH2 ARG 81 1HH2 ARG 81 -15.250 -1.092 10.261 626 2HH2 ARG 81 2HH2 ARG 81 -13.731 -0.266 10.168 627 H SER 82 H SER 82 -16.502 -9.193 7.446 628 HA SER 82 HA SER 82 -15.085 -9.557 10.005 629 1HB SER 82 1HB SER 82 -17.641 -9.335 10.106 630 2HB SER 82 2HB SER 82 -17.686 -10.926 9.348 631 HG SER 82 HG SER 82 -16.980 -10.203 11.919 632 H PHE 83 H PHE 83 -14.734 -10.396 6.988 633 HA PHE 83 HA PHE 83 -14.269 -13.250 7.535 634 1HB PHE 83 1HB PHE 83 -14.374 -13.647 5.153 635 2HB PHE 83 2HB PHE 83 -15.811 -12.763 5.652 636 HD1 PHE 83 HD1 PHE 83 -15.802 -10.223 5.305 637 HD2 PHE 83 HD2 PHE 83 -13.054 -12.866 3.415 638 HE1 PHE 83 HE1 PHE 83 -15.351 -8.520 3.587 639 HE2 PHE 83 HE2 PHE 83 -12.597 -11.168 1.694 640 HZ PHE 83 HZ PHE 83 -13.750 -8.994 1.778 641 H GLY 84 H GLY 84 -12.239 -13.664 8.072 642 1HA GLY 84 1HA GLY 84 -9.948 -13.819 7.851 643 2HA GLY 84 2HA GLY 84 -10.077 -12.920 6.346 644 H ASP 85 H ASP 85 -9.308 -10.908 6.316 645 HA ASP 85 HA ASP 85 -9.374 -9.230 8.664 646 1HB ASP 85 1HB ASP 85 -7.229 -10.778 8.655 647 2HB ASP 85 2HB ASP 85 -6.647 -9.588 7.497 648 H ILE 86 H ILE 86 -10.416 -9.215 5.934 649 HA ILE 86 HA ILE 86 -9.043 -7.594 4.168 650 HB ILE 86 HB ILE 86 -11.057 -8.668 3.464 651 1HG1 ILE 86 1HG1 ILE 86 -11.636 -5.698 3.462 652 2HG1 ILE 86 2HG1 ILE 86 -10.441 -6.460 2.423 653 1HG2 ILE 86 1HG2 ILE 86 -13.280 -7.680 4.314 654 2HG2 ILE 86 2HG2 ILE 86 -12.320 -7.108 5.675 655 3HG2 ILE 86 3HG2 ILE 86 -12.413 -8.832 5.327 656 1HD1 ILE 86 1HD1 ILE 86 -12.564 -6.067 1.274 657 2HD1 ILE 86 2HD1 ILE 86 -13.377 -7.107 2.443 658 3HD1 ILE 86 3HD1 ILE 86 -12.159 -7.781 1.360 659 HA PRO 87 HA PRO 87 -8.949 -3.939 6.838 660 1HB PRO 87 1HB PRO 87 -7.098 -2.603 5.369 661 2HB PRO 87 2HB PRO 87 -6.676 -3.879 6.516 662 1HG PRO 87 1HG PRO 87 -6.985 -4.040 3.537 663 2HG PRO 87 2HG PRO 87 -5.710 -4.720 4.566 664 1HD PRO 87 1HD PRO 87 -7.752 -6.217 3.645 665 2HD PRO 87 2HD PRO 87 -7.021 -6.492 5.237 666 H LEU 88 H LEU 88 -11.237 -3.735 5.846 667 HA LEU 88 HA LEU 88 -11.267 -1.687 3.745 668 1HB LEU 88 1HB LEU 88 -13.609 -2.234 3.420 669 2HB LEU 88 2HB LEU 88 -12.600 -3.658 3.258 670 HG LEU 88 HG LEU 88 -13.278 -3.803 5.872 671 1HD1 LEU 88 1HD1 LEU 88 -14.955 -2.401 6.304 672 2HD1 LEU 88 2HD1 LEU 88 -15.955 -3.460 5.309 673 3HD1 LEU 88 3HD1 LEU 88 -15.197 -2.037 4.595 674 1HD2 LEU 88 1HD2 LEU 88 -14.575 -4.940 3.415 675 2HD2 LEU 88 2HD2 LEU 88 -15.027 -5.448 5.043 676 3HD2 LEU 88 3HD2 LEU 88 -13.378 -5.683 4.473 677 H VAL 89 H VAL 89 -12.861 0.039 3.919 678 HA VAL 89 HA VAL 89 -13.783 0.714 6.589 679 HB VAL 89 HB VAL 89 -12.792 3.101 6.185 680 1HG1 VAL 89 1HG1 VAL 89 -10.998 0.843 7.065 681 2HG1 VAL 89 2HG1 VAL 89 -12.262 1.572 8.056 682 3HG1 VAL 89 3HG1 VAL 89 -10.876 2.536 7.543 683 1HG2 VAL 89 1HG2 VAL 89 -11.238 3.383 4.609 684 2HG2 VAL 89 2HG2 VAL 89 -11.721 1.814 3.967 685 3HG2 VAL 89 3HG2 VAL 89 -10.376 1.926 5.102 686 H HIS 90 H HIS 90 -15.222 2.607 6.577 687 HA HIS 90 HA HIS 90 -16.566 2.877 3.970 688 1HB HIS 90 1HB HIS 90 -17.866 3.372 6.644 689 2HB HIS 90 2HB HIS 90 -18.640 3.056 5.093 690 HD1 HIS 90 HD1 HIS 90 -16.574 1.280 7.743 691 HD2 HIS 90 HD2 HIS 90 -19.205 0.420 4.618 692 HE1 HIS 90 HE1 HIS 90 -17.036 -1.212 7.873 693 HE2 HIS 90 HE2 HIS 90 -18.739 -1.661 6.072 694 H GLY 91 H GLY 91 -16.470 4.798 3.028 695 1HA GLY 91 1HA GLY 91 -15.499 7.093 4.527 696 2HA GLY 91 2HA GLY 91 -15.687 6.990 2.784 697 H MET 92 H MET 92 -18.104 6.331 5.289 698 HA MET 92 HA MET 92 -20.249 7.498 4.078 699 1HB MET 92 1HB MET 92 -20.569 6.199 6.050 700 2HB MET 92 2HB MET 92 -19.572 7.281 7.007 701 1HG MET 92 1HG MET 92 -21.506 8.157 7.689 702 2HG MET 92 2HG MET 92 -21.539 8.961 6.123 703 1HE MET 92 1HE MET 92 -22.725 7.611 3.903 704 2HE MET 92 2HE MET 92 -23.513 6.051 4.140 705 3HE MET 92 3HE MET 92 -21.782 6.216 4.426 706 HA PRO 93 HA PRO 93 -19.313 11.762 6.124 707 1HB PRO 93 1HB PRO 93 -16.857 12.207 7.140 708 2HB PRO 93 2HB PRO 93 -18.155 11.480 8.098 709 1HG PRO 93 1HG PRO 93 -15.899 10.133 6.648 710 2HG PRO 93 2HG PRO 93 -16.482 9.856 8.300 711 1HD PRO 93 1HD PRO 93 -17.185 8.254 6.253 712 2HD PRO 93 2HD PRO 93 -18.297 8.615 7.586 713 H PHE 94 H PHE 94 -16.803 10.066 4.375 714 HA PHE 94 HA PHE 94 -15.551 12.315 3.203 715 1HB PHE 94 1HB PHE 94 -15.358 9.442 3.034 716 2HB PHE 94 2HB PHE 94 -15.317 10.133 1.417 717 HD1 PHE 94 HD1 PHE 94 -13.038 9.456 1.020 718 HD2 PHE 94 HD2 PHE 94 -14.007 11.957 4.328 719 HE1 PHE 94 HE1 PHE 94 -10.655 9.990 1.314 720 HE2 PHE 94 HE2 PHE 94 -11.627 12.496 4.621 721 HZ PHE 94 HZ PHE 94 -9.947 11.512 3.115 722 H VAL 95 H VAL 95 -18.326 10.371 2.334 723 HA VAL 95 HA VAL 95 -18.690 11.433 -0.288 724 HB VAL 95 HB VAL 95 -20.820 10.206 1.462 725 1HG1 VAL 95 1HG1 VAL 95 -21.905 10.965 -0.419 726 2HG1 VAL 95 2HG1 VAL 95 -21.471 9.327 -0.904 727 3HG1 VAL 95 3HG1 VAL 95 -20.510 10.693 -1.461 728 1HG2 VAL 95 1HG2 VAL 95 -19.433 8.442 -0.426 729 2HG2 VAL 95 2HG2 VAL 95 -19.985 8.137 1.221 730 3HG2 VAL 95 3HG2 VAL 95 -18.456 8.967 0.944 731 H SER 96 H SER 96 -19.539 12.510 2.888 732 HA SER 96 HA SER 96 -21.767 14.108 2.361 733 1HB SER 96 1HB SER 96 -20.420 13.476 4.595 734 2HB SER 96 2HB SER 96 -19.786 15.102 4.341 735 HG SER 96 HG SER 96 -21.995 15.811 4.235 736 H GLY 97 H GLY 97 -18.371 14.679 1.821 737 1HA GLY 97 1HA GLY 97 -17.373 16.279 0.470 738 2HA GLY 97 2HA GLY 97 -18.966 16.927 0.123 739 H VAL 98 H VAL 98 -18.757 16.742 3.419 740 HA VAL 98 HA VAL 98 -17.637 19.455 3.626 741 HB VAL 98 HB VAL 98 -19.932 18.364 5.271 742 1HG1 VAL 98 1HG1 VAL 98 -18.485 20.992 5.205 743 2HG1 VAL 98 2HG1 VAL 98 -18.842 19.957 6.587 744 3HG1 VAL 98 3HG1 VAL 98 -20.137 20.868 5.810 745 1HG2 VAL 98 1HG2 VAL 98 -20.148 19.079 2.673 746 2HG2 VAL 98 2HG2 VAL 98 -20.384 20.641 3.456 747 3HG2 VAL 98 3HG2 VAL 98 -21.436 19.285 3.861 748 H GLY 99 H GLY 99 -18.078 16.305 5.122 749 1HA GLY 99 1HA GLY 99 -16.402 17.043 7.390 750 2HA GLY 99 2HA GLY 99 -17.246 15.520 7.168 751 H ILE 100 H ILE 100 -15.479 16.516 4.421 752 HA ILE 100 HA ILE 100 -13.720 14.277 4.672 753 HB ILE 100 HB ILE 100 -13.376 16.475 2.653 754 1HG1 ILE 100 1HG1 ILE 100 -15.272 14.124 2.442 755 2HG1 ILE 100 2HG1 ILE 100 -15.769 15.790 2.711 756 1HG2 ILE 100 1HG2 ILE 100 -13.032 13.564 2.128 757 2HG2 ILE 100 2HG2 ILE 100 -11.804 14.412 3.069 758 3HG2 ILE 100 3HG2 ILE 100 -12.183 14.945 1.431 759 1HD1 ILE 100 1HD1 ILE 100 -15.948 14.949 0.353 760 2HD1 ILE 100 2HD1 ILE 100 -14.189 14.929 0.310 761 3HD1 ILE 100 3HD1 ILE 100 -15.049 16.448 0.563 762 H GLU 101 H GLU 101 -13.270 17.794 4.717 763 HA GLU 101 HA GLU 101 -10.535 17.933 4.917 764 1HB GLU 101 1HB GLU 101 -12.730 19.679 5.321 765 2HB GLU 101 2HB GLU 101 -11.658 19.869 6.702 766 1HG GLU 101 1HG GLU 101 -9.908 20.632 5.407 767 2HG GLU 101 2HG GLU 101 -10.545 19.903 3.934 768 H ALA 102 H ALA 102 -12.825 17.721 7.645 769 HA ALA 102 HA ALA 102 -10.819 17.563 9.628 770 1HB ALA 102 1HB ALA 102 -13.729 16.795 9.656 771 2HB ALA 102 2HB ALA 102 -12.990 18.271 10.277 772 3HB ALA 102 3HB ALA 102 -12.691 16.730 11.080 773 H LEU 103 H LEU 103 -12.706 15.053 7.954 774 HA LEU 103 HA LEU 103 -11.681 12.861 9.410 775 1HB LEU 103 1HB LEU 103 -13.708 13.008 7.788 776 2HB LEU 103 2HB LEU 103 -12.527 12.650 6.543 777 HG LEU 103 HG LEU 103 -11.932 10.630 8.133 778 1HD1 LEU 103 1HD1 LEU 103 -14.307 11.726 9.341 779 2HD1 LEU 103 2HD1 LEU 103 -13.259 10.423 9.900 780 3HD1 LEU 103 3HD1 LEU 103 -14.584 10.072 8.794 781 1HD2 LEU 103 1HD2 LEU 103 -12.569 10.002 6.034 782 2HD2 LEU 103 2HD2 LEU 103 -14.051 10.954 6.077 783 3HD2 LEU 103 3HD2 LEU 103 -13.961 9.426 6.947 784 H GLN 104 H GLN 104 -10.644 14.401 6.397 785 HA GLN 104 HA GLN 104 -8.742 12.650 5.490 786 1HB GLN 104 1HB GLN 104 -9.481 14.990 4.611 787 2HB GLN 104 2HB GLN 104 -8.132 15.582 5.570 788 1HG GLN 104 1HG GLN 104 -6.601 14.164 4.319 789 2HG GLN 104 2HG GLN 104 -7.948 13.532 3.373 790 1HE2 GLN 104 1HE2 GLN 104 -7.432 16.858 4.404 791 2HE2 GLN 104 2HE2 GLN 104 -7.267 17.518 2.821 792 H ASN 105 H ASN 105 -8.276 15.183 7.948 793 HA ASN 105 HA ASN 105 -5.578 14.759 8.458 794 1HB ASN 105 1HB ASN 105 -7.766 16.163 9.710 795 2HB ASN 105 2HB ASN 105 -6.769 15.389 10.938 796 1HD2 ASN 105 1HD2 ASN 105 -7.204 18.192 9.447 797 2HD2 ASN 105 2HD2 ASN 105 -5.592 18.813 9.444 798 H LYS 106 H LYS 106 -8.419 13.152 9.830 799 HA LYS 106 HA LYS 106 -7.033 11.599 11.733 800 1HB LYS 106 1HB LYS 106 -9.634 12.071 11.278 801 2HB LYS 106 2HB LYS 106 -9.503 10.489 10.520 802 1HG LYS 106 1HG LYS 106 -8.248 10.645 13.153 803 2HG LYS 106 2HG LYS 106 -9.987 10.941 13.165 804 1HD LYS 106 1HD LYS 106 -10.037 8.811 11.628 805 2HD LYS 106 2HD LYS 106 -8.477 8.488 12.387 806 1HE LYS 106 1HE LYS 106 -10.206 9.227 14.468 807 2HE LYS 106 2HE LYS 106 -11.133 8.138 13.438 808 1HZ LYS 106 1HZ LYS 106 -8.572 7.060 13.758 809 2HZ LYS 106 2HZ LYS 106 -10.043 6.444 14.323 810 3HZ LYS 106 3HZ LYS 106 -9.137 7.492 15.293 811 H ILE 107 H ILE 107 -7.991 10.937 8.385 812 HA ILE 107 HA ILE 107 -7.223 8.242 8.297 813 HB ILE 107 HB ILE 107 -6.969 10.111 5.949 814 1HG1 ILE 107 1HG1 ILE 107 -9.132 10.619 6.835 815 2HG1 ILE 107 2HG1 ILE 107 -9.375 9.536 5.475 816 1HG2 ILE 107 1HG2 ILE 107 -6.954 8.278 4.652 817 2HG2 ILE 107 2HG2 ILE 107 -8.123 7.425 5.660 818 3HG2 ILE 107 3HG2 ILE 107 -6.425 7.475 6.130 819 1HD1 ILE 107 1HD1 ILE 107 -9.123 8.007 7.877 820 2HD1 ILE 107 2HD1 ILE 107 -10.478 8.118 6.755 821 3HD1 ILE 107 3HD1 ILE 107 -10.341 9.265 8.086 822 H LEU 108 H LEU 108 -5.395 11.173 7.435 823 HA LEU 108 HA LEU 108 -3.026 9.868 6.673 824 1HB LEU 108 1HB LEU 108 -3.703 12.645 7.549 825 2HB LEU 108 2HB LEU 108 -2.018 12.185 7.398 826 HG LEU 108 HG LEU 108 -4.028 11.957 5.159 827 1HD1 LEU 108 1HD1 LEU 108 -2.134 14.156 5.915 828 2HD1 LEU 108 2HD1 LEU 108 -3.847 14.260 5.515 829 3HD1 LEU 108 3HD1 LEU 108 -2.666 13.921 4.251 830 1HD2 LEU 108 1HD2 LEU 108 -2.376 11.127 3.875 831 2HD2 LEU 108 2HD2 LEU 108 -1.682 10.643 5.422 832 3HD2 LEU 108 3HD2 LEU 108 -1.137 12.126 4.637 833 H THR 109 H THR 109 -4.148 11.052 9.797 834 HA THR 109 HA THR 109 -1.800 10.801 11.258 835 HB THR 109 HB THR 109 -4.662 10.372 12.130 836 HG1 THR 109 HG1 THR 109 -4.049 12.564 13.065 837 1HG2 THR 109 1HG2 THR 109 -4.026 10.654 14.375 838 2HG2 THR 109 2HG2 THR 109 -2.366 11.053 13.934 839 3HG2 THR 109 3HG2 THR 109 -2.962 9.407 13.723 840 H ILE 110 H ILE 110 -4.293 8.363 10.589 841 HA ILE 110 HA ILE 110 -2.844 6.315 12.014 842 HB ILE 110 HB ILE 110 -5.188 5.921 10.157 843 1HG1 ILE 110 1HG1 ILE 110 -5.871 7.549 11.798 844 2HG1 ILE 110 2HG1 ILE 110 -6.566 5.996 12.251 845 1HG2 ILE 110 1HG2 ILE 110 -5.570 3.944 11.645 846 2HG2 ILE 110 2HG2 ILE 110 -4.003 4.274 12.382 847 3HG2 ILE 110 3HG2 ILE 110 -4.102 3.863 10.671 848 1HD1 ILE 110 1HD1 ILE 110 -3.999 6.984 13.439 849 2HD1 ILE 110 2HD1 ILE 110 -5.084 5.732 14.039 850 3HD1 ILE 110 3HD1 ILE 110 -5.573 7.425 14.099 851 H LEU 111 H LEU 111 -3.264 7.322 8.675 852 HA LEU 111 HA LEU 111 -2.240 5.042 7.410 853 1HB LEU 111 1HB LEU 111 -2.443 7.929 6.671 854 2HB LEU 111 2HB LEU 111 -1.507 6.852 5.653 855 HG LEU 111 HG LEU 111 -4.412 6.427 6.351 856 1HD1 LEU 111 1HD1 LEU 111 -3.726 7.094 3.594 857 2HD1 LEU 111 2HD1 LEU 111 -3.424 8.403 4.736 858 3HD1 LEU 111 3HD1 LEU 111 -5.032 7.690 4.616 859 1HD2 LEU 111 1HD2 LEU 111 -2.890 4.453 5.706 860 2HD2 LEU 111 2HD2 LEU 111 -2.889 5.170 4.095 861 3HD2 LEU 111 3HD2 LEU 111 -4.407 4.659 4.832 862 H GLN 112 H GLN 112 -0.658 7.707 9.015 863 HA GLN 112 HA GLN 112 1.969 6.894 8.069 864 1HB GLN 112 1HB GLN 112 1.251 9.055 10.057 865 2HB GLN 112 2HB GLN 112 2.805 8.832 9.262 866 1HG GLN 112 1HG GLN 112 0.420 9.192 7.542 867 2HG GLN 112 2HG GLN 112 1.021 10.596 8.423 868 1HE2 GLN 112 1HE2 GLN 112 1.618 8.330 5.887 869 2HE2 GLN 112 2HE2 GLN 112 3.009 9.112 5.226 870 H GLY 113 H GLY 113 -0.058 6.577 10.880 871 1HA GLY 113 1HA GLY 113 0.171 5.063 12.623 872 2HA GLY 113 2HA GLY 113 1.749 4.619 11.992 Start of MODEL 2 1 1H MET 1 1H MET 1 25.977 -17.315 7.790 2 2H MET 1 2H MET 1 27.387 -18.142 7.271 3 3H MET 1 3H MET 1 26.945 -16.656 6.539 4 HA MET 1 HA MET 1 28.671 -17.023 8.595 5 1HB MET 1 1HB MET 1 27.286 -14.766 7.236 6 2HB MET 1 2HB MET 1 28.148 -14.396 8.724 7 1HG MET 1 1HG MET 1 30.188 -14.792 7.810 8 2HG MET 1 2HG MET 1 29.571 -15.990 6.673 9 1HE MET 1 1HE MET 1 30.468 -11.675 6.041 10 2HE MET 1 2HE MET 1 31.620 -13.010 5.990 11 3HE MET 1 3HE MET 1 30.705 -12.689 7.464 12 H GLY 2 H GLY 2 25.680 -15.113 8.931 13 1HA GLY 2 1HA GLY 2 24.188 -15.847 10.828 14 2HA GLY 2 2HA GLY 2 25.659 -15.856 11.789 15 H SER 3 H SER 3 26.430 -13.382 10.065 16 HA SER 3 HA SER 3 24.832 -11.446 11.607 17 1HB SER 3 1HB SER 3 27.633 -11.912 11.692 18 2HB SER 3 2HB SER 3 27.387 -10.344 10.926 19 HG SER 3 HG SER 3 25.924 -10.937 13.237 20 H SER 4 H SER 4 26.223 -12.299 8.541 21 HA SER 4 HA SER 4 25.021 -9.880 7.364 22 1HB SER 4 1HB SER 4 27.391 -11.414 6.271 23 2HB SER 4 2HB SER 4 26.724 -9.909 5.640 24 HG SER 4 HG SER 4 28.419 -10.333 7.756 25 H HIS 5 H HIS 5 24.234 -10.139 5.153 26 HA HIS 5 HA HIS 5 23.669 -12.854 4.285 27 1HB HIS 5 1HB HIS 5 21.236 -12.392 4.064 28 2HB HIS 5 2HB HIS 5 21.783 -12.437 5.735 29 HD1 HIS 5 HD1 HIS 5 19.191 -11.094 5.343 30 HD2 HIS 5 HD2 HIS 5 22.812 -9.053 4.899 31 HE1 HIS 5 HE1 HIS 5 18.660 -8.636 5.666 32 HE2 HIS 5 HE2 HIS 5 20.859 -7.435 5.395 33 H HIS 6 H HIS 6 25.004 -12.305 2.534 34 HA HIS 6 HA HIS 6 23.847 -10.356 0.653 35 1HB HIS 6 1HB HIS 6 26.250 -10.551 -0.375 36 2HB HIS 6 2HB HIS 6 25.979 -9.534 1.035 37 HD1 HIS 6 HD1 HIS 6 27.330 -10.015 3.080 38 HD2 HIS 6 HD2 HIS 6 27.461 -13.118 0.281 39 HE1 HIS 6 HE1 HIS 6 29.062 -11.659 3.931 40 HE2 HIS 6 HE2 HIS 6 29.047 -13.560 2.277 41 H HIS 7 H HIS 7 22.372 -12.044 -0.045 42 HA HIS 7 HA HIS 7 23.542 -14.302 -1.459 43 1HB HIS 7 1HB HIS 7 21.188 -13.979 -0.054 44 2HB HIS 7 2HB HIS 7 20.651 -13.918 -1.730 45 HD1 HIS 7 HD1 HIS 7 20.552 -16.077 -3.020 46 HD2 HIS 7 HD2 HIS 7 22.474 -16.446 0.675 47 HE1 HIS 7 HE1 HIS 7 20.900 -18.563 -2.650 48 HE2 HIS 7 HE2 HIS 7 21.981 -18.755 -0.381 49 H HIS 8 H HIS 8 22.102 -14.766 -3.603 50 HA HIS 8 HA HIS 8 22.321 -12.328 -5.247 51 1HB HIS 8 1HB HIS 8 23.502 -14.982 -5.592 52 2HB HIS 8 2HB HIS 8 22.631 -14.426 -7.017 53 HD1 HIS 8 HD1 HIS 8 25.756 -14.774 -6.863 54 HD2 HIS 8 HD2 HIS 8 23.661 -11.186 -6.391 55 HE1 HIS 8 HE1 HIS 8 27.394 -12.920 -7.425 56 HE2 HIS 8 HE2 HIS 8 26.078 -10.781 -7.219 57 H HIS 9 H HIS 9 21.130 -12.783 -7.467 58 HA HIS 9 HA HIS 9 18.526 -14.022 -6.869 59 1HB HIS 9 1HB HIS 9 17.423 -12.196 -8.096 60 2HB HIS 9 2HB HIS 9 18.305 -11.593 -6.697 61 HD1 HIS 9 HD1 HIS 9 18.536 -11.780 -10.471 62 HD2 HIS 9 HD2 HIS 9 20.246 -9.728 -7.254 63 HE1 HIS 9 HE1 HIS 9 19.964 -9.945 -11.484 64 HE2 HIS 9 HE2 HIS 9 21.049 -8.787 -9.526 65 H HIS 10 H HIS 10 17.417 -14.938 -8.609 66 HA HIS 10 HA HIS 10 18.944 -15.187 -11.112 67 1HB HIS 10 1HB HIS 10 18.601 -17.226 -9.272 68 2HB HIS 10 2HB HIS 10 17.348 -17.544 -10.466 69 HD1 HIS 10 HD1 HIS 10 19.768 -16.024 -12.455 70 HD2 HIS 10 HD2 HIS 10 19.562 -19.742 -10.557 71 HE1 HIS 10 HE1 HIS 10 21.405 -17.531 -13.675 72 HE2 HIS 10 HE2 HIS 10 21.194 -19.782 -12.565 73 H HIS 11 H HIS 11 15.895 -14.736 -9.561 74 HA HIS 11 HA HIS 11 14.396 -15.155 -12.022 75 1HB HIS 11 1HB HIS 11 13.510 -14.403 -9.230 76 2HB HIS 11 2HB HIS 11 12.417 -14.628 -10.591 77 HD1 HIS 11 HD1 HIS 11 15.321 -16.774 -9.346 78 HD2 HIS 11 HD2 HIS 11 11.226 -17.015 -10.153 79 HE1 HIS 11 HE1 HIS 11 14.667 -19.192 -8.957 80 HE2 HIS 11 HE2 HIS 11 12.219 -19.325 -9.540 81 H HIS 12 H HIS 12 13.417 -13.558 -13.193 82 HA HIS 12 HA HIS 12 14.584 -11.019 -13.256 83 1HB HIS 12 1HB HIS 12 11.900 -11.869 -14.367 84 2HB HIS 12 2HB HIS 12 12.797 -10.428 -14.837 85 HD1 HIS 12 HD1 HIS 12 15.522 -12.417 -14.652 86 HD2 HIS 12 HD2 HIS 12 12.175 -12.600 -17.148 87 HE1 HIS 12 HE1 HIS 12 16.242 -13.729 -16.699 88 HE2 HIS 12 HE2 HIS 12 14.231 -13.746 -18.219 89 H GLU 13 H GLU 13 13.660 -8.936 -12.822 90 HA GLU 13 HA GLU 13 11.634 -8.967 -10.681 91 1HB GLU 13 1HB GLU 13 14.304 -8.207 -10.435 92 2HB GLU 13 2HB GLU 13 13.433 -6.686 -10.559 93 1HG GLU 13 1HG GLU 13 13.392 -7.013 -8.305 94 2HG GLU 13 2HG GLU 13 11.874 -7.781 -8.767 95 H ASN 14 H ASN 14 9.920 -8.438 -12.007 96 HA ASN 14 HA ASN 14 9.998 -5.713 -13.117 97 1HB ASN 14 1HB ASN 14 8.829 -8.194 -14.382 98 2HB ASN 14 2HB ASN 14 8.424 -6.564 -14.913 99 1HD2 ASN 14 1HD2 ASN 14 9.688 -5.622 -16.362 100 2HD2 ASN 14 2HD2 ASN 14 11.238 -6.197 -16.866 101 H LEU 15 H LEU 15 8.963 -4.894 -11.284 102 HA LEU 15 HA LEU 15 7.205 -4.269 -9.986 103 1HB LEU 15 1HB LEU 15 6.030 -5.005 -12.578 104 2HB LEU 15 2HB LEU 15 4.898 -5.030 -11.240 105 HG LEU 15 HG LEU 15 5.767 -2.659 -10.717 106 1HD1 LEU 15 1HD1 LEU 15 6.487 -1.482 -12.834 107 2HD1 LEU 15 2HD1 LEU 15 6.813 -3.080 -13.503 108 3HD1 LEU 15 3HD1 LEU 15 7.690 -2.526 -12.077 109 1HD2 LEU 15 1HD2 LEU 15 4.135 -1.681 -12.183 110 2HD2 LEU 15 2HD2 LEU 15 3.531 -3.241 -11.624 111 3HD2 LEU 15 3HD2 LEU 15 4.191 -3.082 -13.251 112 H TYR 16 H TYR 16 8.053 -6.076 -8.605 113 HA TYR 16 HA TYR 16 5.839 -7.862 -7.960 114 1HB TYR 16 1HB TYR 16 8.629 -8.764 -8.640 115 2HB TYR 16 2HB TYR 16 7.584 -9.725 -7.599 116 HD1 TYR 16 HD1 TYR 16 5.065 -9.911 -8.678 117 HD2 TYR 16 HD2 TYR 16 8.708 -9.455 -10.828 118 HE1 TYR 16 HE1 TYR 16 4.014 -10.917 -10.660 119 HE2 TYR 16 HE2 TYR 16 7.667 -10.458 -12.818 120 HH TYR 16 HH TYR 16 5.474 -10.836 -13.756 121 H PHE 17 H PHE 17 9.170 -6.981 -7.046 122 HA PHE 17 HA PHE 17 8.227 -6.693 -4.273 123 1HB PHE 17 1HB PHE 17 10.172 -8.538 -5.269 124 2HB PHE 17 2HB PHE 17 10.993 -7.367 -4.243 125 HD1 PHE 17 HD1 PHE 17 7.542 -8.702 -3.921 126 HD2 PHE 17 HD2 PHE 17 11.484 -8.578 -2.321 127 HE1 PHE 17 HE1 PHE 17 6.767 -9.914 -1.926 128 HE2 PHE 17 HE2 PHE 17 10.715 -9.790 -0.323 129 HZ PHE 17 HZ PHE 17 8.354 -10.460 -0.124 130 H GLN 18 H GLN 18 8.620 -4.738 -6.453 131 HA GLN 18 HA GLN 18 9.965 -2.739 -4.934 132 1HB GLN 18 1HB GLN 18 11.653 -4.260 -6.518 133 2HB GLN 18 2HB GLN 18 11.330 -2.848 -7.514 134 1HG GLN 18 1HG GLN 18 11.840 -1.866 -4.943 135 2HG GLN 18 2HG GLN 18 13.044 -3.120 -5.231 136 1HE2 GLN 18 1HE2 GLN 18 14.421 -2.918 -7.060 137 2HE2 GLN 18 2HE2 GLN 18 14.747 -1.367 -7.749 138 H GLY 19 H GLY 19 8.078 -1.581 -5.183 139 1HA GLY 19 1HA GLY 19 7.874 0.144 -7.372 140 2HA GLY 19 2HA GLY 19 6.742 -1.174 -7.636 141 H SER 20 H SER 20 5.138 -1.577 -5.930 142 HA SER 20 HA SER 20 4.270 0.965 -4.750 143 1HB SER 20 1HB SER 20 2.858 -0.722 -6.319 144 2HB SER 20 2HB SER 20 2.438 -1.367 -4.732 145 HG SER 20 HG SER 20 0.980 0.246 -5.270 146 H LYS 21 H LYS 21 2.666 0.315 -2.752 147 HA LYS 21 HA LYS 21 4.200 -1.427 -0.944 148 1HB LYS 21 1HB LYS 21 4.245 1.318 -0.792 149 2HB LYS 21 2HB LYS 21 2.986 0.902 0.355 150 1HG LYS 21 1HG LYS 21 5.232 1.127 1.360 151 2HG LYS 21 2HG LYS 21 4.495 -0.454 1.616 152 1HD LYS 21 1HD LYS 21 5.968 -0.593 -0.797 153 2HD LYS 21 2HD LYS 21 7.000 0.190 0.402 154 1HE LYS 21 1HE LYS 21 6.853 -1.639 1.875 155 2HE LYS 21 2HE LYS 21 5.493 -2.338 0.998 156 1HZ LYS 21 1HZ LYS 21 8.122 -2.009 -0.300 157 2HZ LYS 21 2HZ LYS 21 6.862 -3.062 -0.707 158 3HZ LYS 21 3HZ LYS 21 7.797 -3.357 0.671 159 H ARG 22 H ARG 22 1.207 0.497 -1.150 160 HA ARG 22 HA ARG 22 -0.249 -1.841 -0.125 161 1HB ARG 22 1HB ARG 22 -0.698 1.038 0.667 162 2HB ARG 22 2HB ARG 22 -1.734 -0.303 1.126 163 1HG ARG 22 1HG ARG 22 0.586 -1.237 2.047 164 2HG ARG 22 2HG ARG 22 0.916 0.493 2.154 165 1HD ARG 22 1HD ARG 22 -1.725 -0.054 3.125 166 2HD ARG 22 2HD ARG 22 -0.566 -1.096 3.943 167 HE ARG 22 HE ARG 22 -0.691 1.816 4.059 168 1HH1 ARG 22 1HH1 ARG 22 0.976 -1.120 4.967 169 2HH1 ARG 22 2HH1 ARG 22 1.821 -0.376 6.280 170 1HH2 ARG 22 1HH2 ARG 22 0.425 2.789 5.782 171 2HH2 ARG 22 2HH2 ARG 22 1.510 1.840 6.743 172 H LYS 23 H LYS 23 -2.534 -1.853 -0.696 173 HA LYS 23 HA LYS 23 -3.191 -0.199 -3.023 174 1HB LYS 23 1HB LYS 23 -3.591 -3.193 -2.870 175 2HB LYS 23 2HB LYS 23 -4.051 -2.156 -4.213 176 1HG LYS 23 1HG LYS 23 -2.080 -2.909 -5.033 177 2HG LYS 23 2HG LYS 23 -1.465 -1.540 -4.107 178 1HD LYS 23 1HD LYS 23 -1.154 -3.159 -2.182 179 2HD LYS 23 2HD LYS 23 -1.460 -4.448 -3.347 180 1HE LYS 23 1HE LYS 23 0.402 -3.535 -4.734 181 2HE LYS 23 2HE LYS 23 0.760 -2.411 -3.423 182 1HZ LYS 23 1HZ LYS 23 1.623 -4.044 -2.137 183 2HZ LYS 23 2HZ LYS 23 1.938 -4.754 -3.639 184 3HZ LYS 23 3HZ LYS 23 0.592 -5.244 -2.739 185 H ILE 24 H ILE 24 -5.000 0.873 -2.585 186 HA ILE 24 HA ILE 24 -6.917 -0.295 -0.699 187 HB ILE 24 HB ILE 24 -6.937 2.537 -1.712 188 1HG1 ILE 24 1HG1 ILE 24 -5.976 2.447 0.953 189 2HG1 ILE 24 2HG1 ILE 24 -5.016 1.297 0.027 190 1HG2 ILE 24 1HG2 ILE 24 -8.160 1.206 0.698 191 2HG2 ILE 24 2HG2 ILE 24 -9.011 1.816 -0.721 192 3HG2 ILE 24 3HG2 ILE 24 -8.203 2.939 0.372 193 1HD1 ILE 24 1HD1 ILE 24 -5.473 3.998 -1.113 194 2HD1 ILE 24 2HD1 ILE 24 -4.090 2.918 -1.278 195 3HD1 ILE 24 3HD1 ILE 24 -4.332 3.820 0.218 196 H ILE 25 H ILE 25 -9.229 -0.211 -1.154 197 HA ILE 25 HA ILE 25 -9.822 -0.091 -4.031 198 HB ILE 25 HB ILE 25 -11.534 -1.804 -3.693 199 1HG1 ILE 25 1HG1 ILE 25 -10.473 -1.857 -0.871 200 2HG1 ILE 25 2HG1 ILE 25 -12.108 -1.446 -1.381 201 1HG2 ILE 25 1HG2 ILE 25 -10.015 -3.335 -4.209 202 2HG2 ILE 25 2HG2 ILE 25 -9.418 -3.366 -2.551 203 3HG2 ILE 25 3HG2 ILE 25 -8.760 -2.205 -3.699 204 1HD1 ILE 25 1HD1 ILE 25 -11.473 -4.028 -2.372 205 2HD1 ILE 25 2HD1 ILE 25 -12.697 -3.572 -1.185 206 3HD1 ILE 25 3HD1 ILE 25 -11.064 -3.970 -0.661 207 H VAL 26 H VAL 26 -11.764 0.818 -4.670 208 HA VAL 26 HA VAL 26 -13.320 2.142 -2.542 209 HB VAL 26 HB VAL 26 -12.420 3.323 -5.173 210 1HG1 VAL 26 1HG1 VAL 26 -13.769 5.256 -4.729 211 2HG1 VAL 26 2HG1 VAL 26 -14.309 4.588 -3.191 212 3HG1 VAL 26 3HG1 VAL 26 -14.818 3.840 -4.704 213 1HG2 VAL 26 1HG2 VAL 26 -11.678 5.150 -3.498 214 2HG2 VAL 26 2HG2 VAL 26 -10.722 3.675 -3.636 215 3HG2 VAL 26 3HG2 VAL 26 -11.845 3.875 -2.291 216 H ALA 27 H ALA 27 -15.298 1.313 -2.522 217 HA ALA 27 HA ALA 27 -16.538 0.598 -5.095 218 1HB ALA 27 1HB ALA 27 -17.973 -0.925 -3.480 219 2HB ALA 27 2HB ALA 27 -16.513 -0.830 -2.494 220 3HB ALA 27 3HB ALA 27 -16.428 -1.465 -4.137 221 H CYS 28 H CYS 28 -18.246 1.725 -5.658 222 HA CYS 28 HA CYS 28 -19.868 2.995 -3.546 223 1HB CYS 28 1HB CYS 28 -18.277 4.513 -4.941 224 2HB CYS 28 2HB CYS 28 -19.464 4.299 -6.223 225 HG CYS 28 HG CYS 28 -20.880 5.270 -3.786 226 H GLY 29 H GLY 29 -22.068 3.650 -4.324 227 1HA GLY 29 1HA GLY 29 -23.177 1.459 -5.922 228 2HA GLY 29 2HA GLY 29 -24.079 2.511 -4.843 229 H GLY 30 H GLY 30 -22.067 2.814 -7.778 230 1HA GLY 30 1HA GLY 30 -22.569 3.795 -9.807 231 2HA GLY 30 2HA GLY 30 -24.232 3.959 -9.265 232 H ALA 31 H ALA 31 -21.003 5.359 -8.844 233 HA ALA 31 HA ALA 31 -22.075 7.827 -7.809 234 1HB ALA 31 1HB ALA 31 -19.545 6.529 -7.873 235 2HB ALA 31 2HB ALA 31 -20.045 7.935 -6.938 236 3HB ALA 31 3HB ALA 31 -19.366 8.146 -8.550 237 H VAL 32 H VAL 32 -19.737 7.422 -10.430 238 HA VAL 32 HA VAL 32 -19.641 8.250 -12.560 239 HB VAL 32 HB VAL 32 -22.451 9.281 -12.183 240 1HG1 VAL 32 1HG1 VAL 32 -21.954 8.545 -14.842 241 2HG1 VAL 32 2HG1 VAL 32 -20.539 9.458 -14.318 242 3HG1 VAL 32 3HG1 VAL 32 -22.146 10.173 -14.193 243 1HG2 VAL 32 1HG2 VAL 32 -21.902 6.778 -13.676 244 2HG2 VAL 32 2HG2 VAL 32 -23.323 7.254 -12.747 245 3HG2 VAL 32 3HG2 VAL 32 -21.870 6.701 -11.914 246 H ALA 33 H ALA 33 -20.541 10.226 -9.874 247 HA ALA 33 HA ALA 33 -19.302 12.541 -11.199 248 1HB ALA 33 1HB ALA 33 -20.792 14.029 -10.057 249 2HB ALA 33 2HB ALA 33 -21.501 12.696 -9.144 250 3HB ALA 33 3HB ALA 33 -21.762 12.810 -10.885 251 H THR 34 H THR 34 -19.908 10.838 -8.162 252 HA THR 34 HA THR 34 -17.940 12.431 -6.748 253 HB THR 34 HB THR 34 -18.563 10.401 -5.038 254 HG1 THR 34 HG1 THR 34 -20.150 9.370 -5.924 255 1HG2 THR 34 1HG2 THR 34 -19.295 12.109 -3.855 256 2HG2 THR 34 2HG2 THR 34 -20.715 12.245 -4.891 257 3HG2 THR 34 3HG2 THR 34 -19.239 13.122 -5.296 258 H SER 35 H SER 35 -17.820 9.818 -8.813 259 HA SER 35 HA SER 35 -15.900 8.163 -7.552 260 1HB SER 35 1HB SER 35 -16.825 8.548 -10.386 261 2HB SER 35 2HB SER 35 -15.415 7.545 -10.052 262 HG SER 35 HG SER 35 -17.612 7.029 -8.462 263 H THR 36 H THR 36 -15.620 10.748 -9.962 264 HA THR 36 HA THR 36 -12.805 10.702 -10.139 265 HB THR 36 HB THR 36 -13.991 13.328 -10.602 266 HG1 THR 36 HG1 THR 36 -15.865 12.418 -11.140 267 1HG2 THR 36 1HG2 THR 36 -12.177 11.499 -11.913 268 2HG2 THR 36 2HG2 THR 36 -12.298 13.254 -12.025 269 3HG2 THR 36 3HG2 THR 36 -13.320 12.234 -13.036 270 H MET 37 H MET 37 -15.018 12.203 -7.910 271 HA MET 37 HA MET 37 -13.296 14.146 -6.833 272 1HB MET 37 1HB MET 37 -15.895 13.551 -6.458 273 2HB MET 37 2HB MET 37 -15.220 12.823 -5.007 274 1HG MET 37 1HG MET 37 -15.621 14.895 -4.205 275 2HG MET 37 2HG MET 37 -14.002 15.168 -4.847 276 1HE MET 37 1HE MET 37 -13.340 16.449 -6.615 277 2HE MET 37 2HE MET 37 -13.969 17.858 -5.761 278 3HE MET 37 3HE MET 37 -14.284 17.658 -7.485 279 H ALA 38 H ALA 38 -14.080 10.869 -5.649 280 HA ALA 38 HA ALA 38 -12.221 10.894 -3.537 281 1HB ALA 38 1HB ALA 38 -13.210 8.457 -5.004 282 2HB ALA 38 2HB ALA 38 -14.145 9.318 -3.782 283 3HB ALA 38 3HB ALA 38 -12.619 8.549 -3.344 284 H ALA 39 H ALA 39 -11.990 9.205 -6.686 285 HA ALA 39 HA ALA 39 -9.433 8.246 -6.502 286 1HB ALA 39 1HB ALA 39 -10.366 9.464 -9.073 287 2HB ALA 39 2HB ALA 39 -11.154 8.031 -8.413 288 3HB ALA 39 3HB ALA 39 -9.436 7.989 -8.810 289 H GLU 40 H GLU 40 -10.342 11.418 -7.843 290 HA GLU 40 HA GLU 40 -7.720 12.330 -8.247 291 1HB GLU 40 1HB GLU 40 -9.942 13.305 -9.115 292 2HB GLU 40 2HB GLU 40 -10.024 14.147 -7.574 293 1HG GLU 40 1HG GLU 40 -7.437 14.568 -8.647 294 2HG GLU 40 2HG GLU 40 -8.610 14.865 -9.928 295 H GLU 41 H GLU 41 -9.879 12.539 -5.453 296 HA GLU 41 HA GLU 41 -8.241 14.265 -3.917 297 1HB GLU 41 1HB GLU 41 -10.680 12.728 -3.507 298 2HB GLU 41 2HB GLU 41 -9.661 12.748 -2.078 299 1HG GLU 41 1HG GLU 41 -11.350 14.561 -2.154 300 2HG GLU 41 2HG GLU 41 -9.688 15.123 -1.988 301 H ILE 42 H ILE 42 -8.627 10.711 -3.830 302 HA ILE 42 HA ILE 42 -6.662 10.333 -1.826 303 HB ILE 42 HB ILE 42 -7.404 8.258 -3.879 304 1HG1 ILE 42 1HG1 ILE 42 -9.508 9.123 -3.071 305 2HG1 ILE 42 2HG1 ILE 42 -9.211 7.576 -2.290 306 1HG2 ILE 42 1HG2 ILE 42 -7.201 6.974 -1.530 307 2HG2 ILE 42 2HG2 ILE 42 -6.071 8.299 -1.251 308 3HG2 ILE 42 3HG2 ILE 42 -5.841 7.219 -2.627 309 1HD1 ILE 42 1HD1 ILE 42 -9.460 8.523 -0.318 310 2HD1 ILE 42 2HD1 ILE 42 -9.763 10.073 -1.101 311 3HD1 ILE 42 3HD1 ILE 42 -8.119 9.616 -0.653 312 H LYS 43 H LYS 43 -6.553 10.252 -5.364 313 HA LYS 43 HA LYS 43 -3.952 9.299 -5.693 314 1HB LYS 43 1HB LYS 43 -5.584 9.588 -7.537 315 2HB LYS 43 2HB LYS 43 -5.386 11.331 -7.419 316 1HG LYS 43 1HG LYS 43 -2.983 9.626 -7.869 317 2HG LYS 43 2HG LYS 43 -4.079 9.947 -9.213 318 1HD LYS 43 1HD LYS 43 -3.159 12.245 -7.554 319 2HD LYS 43 2HD LYS 43 -2.026 11.528 -8.700 320 1HE LYS 43 1HE LYS 43 -3.038 12.510 -10.420 321 2HE LYS 43 2HE LYS 43 -4.619 11.927 -9.903 322 1HZ LYS 43 1HZ LYS 43 -4.145 14.457 -9.993 323 2HZ LYS 43 2HZ LYS 43 -3.386 14.200 -8.503 324 3HZ LYS 43 3HZ LYS 43 -5.023 13.821 -8.694 325 H GLU 44 H GLU 44 -5.040 12.703 -5.678 326 HA GLU 44 HA GLU 44 -2.493 13.839 -5.785 327 1HB GLU 44 1HB GLU 44 -3.553 15.892 -4.908 328 2HB GLU 44 2HB GLU 44 -4.477 15.168 -6.216 329 1HG GLU 44 1HG GLU 44 -6.264 14.879 -4.929 330 2HG GLU 44 2HG GLU 44 -5.311 14.218 -3.607 331 H LEU 45 H LEU 45 -4.362 12.650 -3.073 332 HA LEU 45 HA LEU 45 -2.731 13.775 -1.044 333 1HB LEU 45 1HB LEU 45 -5.143 12.731 -0.982 334 2HB LEU 45 2HB LEU 45 -4.270 11.252 -0.627 335 HG LEU 45 HG LEU 45 -3.249 12.340 1.338 336 1HD1 LEU 45 1HD1 LEU 45 -5.086 14.553 1.526 337 2HD1 LEU 45 2HD1 LEU 45 -4.069 14.698 0.093 338 3HD1 LEU 45 3HD1 LEU 45 -3.330 14.532 1.685 339 1HD2 LEU 45 1HD2 LEU 45 -6.219 12.696 1.500 340 2HD2 LEU 45 2HD2 LEU 45 -5.106 12.082 2.718 341 3HD2 LEU 45 3HD2 LEU 45 -5.497 11.099 1.311 342 H CYS 46 H CYS 46 -2.939 10.454 -2.341 343 HA CYS 46 HA CYS 46 -0.854 9.380 -0.835 344 1HB CYS 46 1HB CYS 46 -0.865 7.542 -2.344 345 2HB CYS 46 2HB CYS 46 -2.525 8.107 -2.234 346 HG CYS 46 HG CYS 46 -0.704 8.439 -4.724 347 H GLN 47 H GLN 47 -0.803 11.187 -3.841 348 HA GLN 47 HA GLN 47 1.966 10.711 -4.383 349 1HB GLN 47 1HB GLN 47 0.003 11.464 -5.975 350 2HB GLN 47 2HB GLN 47 0.505 13.077 -5.483 351 1HG GLN 47 1HG GLN 47 2.475 12.959 -6.602 352 2HG GLN 47 2HG GLN 47 2.614 11.214 -6.402 353 1HE2 GLN 47 1HE2 GLN 47 3.276 11.717 -8.745 354 2HE2 GLN 47 2HE2 GLN 47 2.023 11.551 -9.922 355 H SER 48 H SER 48 0.146 13.532 -3.209 356 HA SER 48 HA SER 48 2.217 15.306 -2.822 357 1HB SER 48 1HB SER 48 -0.456 15.321 -2.225 358 2HB SER 48 2HB SER 48 0.266 15.324 -0.618 359 HG SER 48 HG SER 48 0.708 17.340 -0.927 360 H HIS 49 H HIS 49 1.202 12.660 -0.742 361 HA HIS 49 HA HIS 49 3.206 13.329 1.252 362 1HB HIS 49 1HB HIS 49 0.761 12.359 1.574 363 2HB HIS 49 2HB HIS 49 1.596 10.826 1.388 364 HD1 HIS 49 HD1 HIS 49 1.166 13.720 3.699 365 HD2 HIS 49 HD2 HIS 49 3.324 10.145 3.515 366 HE1 HIS 49 HE1 HIS 49 2.082 13.331 6.029 367 HE2 HIS 49 HE2 HIS 49 3.449 11.219 5.866 368 H ASN 50 H ASN 50 3.134 11.628 -1.616 369 HA ASN 50 HA ASN 50 4.569 10.218 -2.654 370 1HB ASN 50 1HB ASN 50 6.217 11.357 -0.456 371 2HB ASN 50 2HB ASN 50 6.850 9.939 -1.288 372 1HD2 ASN 50 1HD2 ASN 50 6.676 13.245 -1.300 373 2HD2 ASN 50 2HD2 ASN 50 7.167 13.541 -2.929 374 H ILE 51 H ILE 51 2.654 9.167 -0.681 375 HA ILE 51 HA ILE 51 4.020 6.932 0.563 376 HB ILE 51 HB ILE 51 1.043 7.367 0.344 377 1HG1 ILE 51 1HG1 ILE 51 2.931 8.242 2.539 378 2HG1 ILE 51 2HG1 ILE 51 2.154 9.307 1.375 379 1HG2 ILE 51 1HG2 ILE 51 1.020 5.978 2.408 380 2HG2 ILE 51 2HG2 ILE 51 2.744 5.686 2.174 381 3HG2 ILE 51 3HG2 ILE 51 1.583 5.124 0.971 382 1HD1 ILE 51 1HD1 ILE 51 1.157 8.285 3.860 383 2HD1 ILE 51 2HD1 ILE 51 0.081 7.846 2.533 384 3HD1 ILE 51 3HD1 ILE 51 0.492 9.538 2.815 385 HA PRO 52 HA PRO 52 3.761 4.674 -3.349 386 1HB PRO 52 1HB PRO 52 4.723 2.504 -1.565 387 2HB PRO 52 2HB PRO 52 5.365 3.046 -3.117 388 1HG PRO 52 1HG PRO 52 6.614 3.629 -0.836 389 2HG PRO 52 2HG PRO 52 6.533 4.805 -2.163 390 1HD PRO 52 1HD PRO 52 4.984 4.711 0.389 391 2HD PRO 52 2HD PRO 52 5.624 6.109 -0.493 392 H VAL 53 H VAL 53 1.564 4.520 -3.597 393 HA VAL 53 HA VAL 53 0.331 2.052 -2.701 394 HB VAL 53 HB VAL 53 -1.770 3.315 -2.005 395 1HG1 VAL 53 1HG1 VAL 53 0.504 2.554 -0.520 396 2HG1 VAL 53 2HG1 VAL 53 -1.167 2.684 0.022 397 3HG1 VAL 53 3HG1 VAL 53 -0.086 4.068 0.165 398 1HG2 VAL 53 1HG2 VAL 53 -0.394 5.609 -0.990 399 2HG2 VAL 53 2HG2 VAL 53 -1.814 5.529 -2.032 400 3HG2 VAL 53 3HG2 VAL 53 -0.200 5.524 -2.741 401 H GLU 54 H GLU 54 -1.780 1.691 -3.774 402 HA GLU 54 HA GLU 54 -2.083 3.262 -6.244 403 1HB GLU 54 1HB GLU 54 -2.526 1.217 -7.498 404 2HB GLU 54 2HB GLU 54 -0.928 1.157 -6.764 405 1HG GLU 54 1HG GLU 54 -1.469 -0.812 -5.921 406 2HG GLU 54 2HG GLU 54 -2.628 0.014 -4.883 407 H LEU 55 H LEU 55 -4.049 4.101 -6.405 408 HA LEU 55 HA LEU 55 -6.193 3.157 -4.713 409 1HB LEU 55 1HB LEU 55 -5.502 5.604 -5.331 410 2HB LEU 55 2HB LEU 55 -6.464 5.318 -6.766 411 HG LEU 55 HG LEU 55 -7.605 6.522 -4.855 412 1HD1 LEU 55 1HD1 LEU 55 -9.585 4.656 -5.055 413 2HD1 LEU 55 2HD1 LEU 55 -8.600 4.310 -6.475 414 3HD1 LEU 55 3HD1 LEU 55 -9.253 5.927 -6.231 415 1HD2 LEU 55 1HD2 LEU 55 -6.641 4.425 -3.342 416 2HD2 LEU 55 2HD2 LEU 55 -8.356 4.058 -3.521 417 3HD2 LEU 55 3HD2 LEU 55 -7.852 5.606 -2.844 418 H ILE 56 H ILE 56 -7.355 1.482 -5.355 419 HA ILE 56 HA ILE 56 -7.964 1.166 -8.209 420 HB ILE 56 HB ILE 56 -6.892 -0.724 -6.768 421 1HG1 ILE 56 1HG1 ILE 56 -8.538 -2.372 -8.052 422 2HG1 ILE 56 2HG1 ILE 56 -9.017 -0.872 -8.834 423 1HG2 ILE 56 1HG2 ILE 56 -9.746 -0.820 -5.875 424 2HG2 ILE 56 2HG2 ILE 56 -8.269 -0.990 -4.934 425 3HG2 ILE 56 3HG2 ILE 56 -8.786 -2.292 -5.996 426 1HD1 ILE 56 1HD1 ILE 56 -7.120 -2.336 -9.845 427 2HD1 ILE 56 2HD1 ILE 56 -6.125 -1.543 -8.623 428 3HD1 ILE 56 3HD1 ILE 56 -6.973 -0.578 -9.831 429 H GLN 57 H GLN 57 -10.135 0.715 -8.900 430 HA GLN 57 HA GLN 57 -12.184 1.499 -6.941 431 1HB GLN 57 1HB GLN 57 -11.438 2.949 -9.171 432 2HB GLN 57 2HB GLN 57 -12.837 2.050 -9.739 433 1HG GLN 57 1HG GLN 57 -13.794 2.936 -7.399 434 2HG GLN 57 2HG GLN 57 -12.653 4.229 -7.769 435 1HE2 GLN 57 1HE2 GLN 57 -14.391 5.669 -8.025 436 2HE2 GLN 57 2HE2 GLN 57 -15.361 5.659 -9.454 437 H CYS 58 H CYS 58 -13.990 0.225 -6.850 438 HA CYS 58 HA CYS 58 -14.562 -1.679 -8.970 439 1HB CYS 58 1HB CYS 58 -14.377 -2.798 -6.198 440 2HB CYS 58 2HB CYS 58 -14.320 -3.639 -7.740 441 HG CYS 58 HG CYS 58 -11.905 -2.081 -6.548 442 H ARG 59 H ARG 59 -16.635 -2.937 -8.412 443 HA ARG 59 HA ARG 59 -18.579 -1.024 -7.463 444 1HB ARG 59 1HB ARG 59 -18.761 -3.720 -8.794 445 2HB ARG 59 2HB ARG 59 -20.185 -2.893 -8.183 446 1HG ARG 59 1HG ARG 59 -20.209 -2.220 -10.359 447 2HG ARG 59 2HG ARG 59 -19.275 -0.910 -9.632 448 1HD ARG 59 1HD ARG 59 -17.200 -2.125 -10.257 449 2HD ARG 59 2HD ARG 59 -18.195 -3.314 -11.095 450 HE ARG 59 HE ARG 59 -18.983 -1.016 -12.233 451 1HH1 ARG 59 1HH1 ARG 59 -15.812 -2.349 -11.633 452 2HH1 ARG 59 2HH1 ARG 59 -15.094 -1.581 -13.008 453 1HH2 ARG 59 1HH2 ARG 59 -18.040 -0.009 -14.038 454 2HH2 ARG 59 2HH2 ARG 59 -16.359 -0.252 -14.374 455 H VAL 60 H VAL 60 -20.567 -2.705 -6.484 456 HA VAL 60 HA VAL 60 -19.784 -2.974 -3.771 457 HB VAL 60 HB VAL 60 -22.277 -4.072 -5.076 458 1HG1 VAL 60 1HG1 VAL 60 -23.025 -3.339 -2.604 459 2HG1 VAL 60 2HG1 VAL 60 -21.347 -3.779 -2.289 460 3HG1 VAL 60 3HG1 VAL 60 -22.448 -4.958 -3.002 461 1HG2 VAL 60 1HG2 VAL 60 -23.354 -1.998 -4.656 462 2HG2 VAL 60 2HG2 VAL 60 -21.851 -1.627 -5.501 463 3HG2 VAL 60 3HG2 VAL 60 -21.967 -1.384 -3.758 464 H ASN 61 H ASN 61 -19.743 -5.141 -6.460 465 HA ASN 61 HA ASN 61 -18.843 -7.288 -4.678 466 1HB ASN 61 1HB ASN 61 -20.078 -8.873 -6.343 467 2HB ASN 61 2HB ASN 61 -20.988 -8.094 -5.054 468 1HD2 ASN 61 1HD2 ASN 61 -19.849 -6.874 -8.194 469 2HD2 ASN 61 2HD2 ASN 61 -21.413 -6.433 -8.775 470 H GLU 62 H GLU 62 -16.839 -6.193 -5.601 471 HA GLU 62 HA GLU 62 -15.864 -7.819 -7.782 472 1HB GLU 62 1HB GLU 62 -16.206 -4.845 -7.989 473 2HB GLU 62 2HB GLU 62 -14.902 -5.648 -8.853 474 1HG GLU 62 1HG GLU 62 -17.082 -7.182 -9.495 475 2HG GLU 62 2HG GLU 62 -17.753 -5.554 -9.428 476 H ILE 63 H ILE 63 -15.312 -5.366 -5.336 477 HA ILE 63 HA ILE 63 -12.570 -5.143 -5.335 478 HB ILE 63 HB ILE 63 -12.879 -4.958 -2.764 479 1HG1 ILE 63 1HG1 ILE 63 -15.771 -4.628 -3.487 480 2HG1 ILE 63 2HG1 ILE 63 -15.147 -6.201 -3.003 481 1HG2 ILE 63 1HG2 ILE 63 -14.495 -3.015 -4.371 482 2HG2 ILE 63 2HG2 ILE 63 -12.743 -3.116 -4.536 483 3HG2 ILE 63 3HG2 ILE 63 -13.461 -2.700 -2.981 484 1HD1 ILE 63 1HD1 ILE 63 -14.843 -3.723 -1.335 485 2HD1 ILE 63 2HD1 ILE 63 -14.551 -5.396 -0.858 486 3HD1 ILE 63 3HD1 ILE 63 -16.196 -4.845 -1.183 487 H GLU 64 H GLU 64 -14.583 -7.728 -4.108 488 HA GLU 64 HA GLU 64 -12.549 -9.073 -2.654 489 1HB GLU 64 1HB GLU 64 -15.062 -9.337 -2.369 490 2HB GLU 64 2HB GLU 64 -15.021 -10.348 -3.808 491 1HG GLU 64 1HG GLU 64 -13.479 -11.875 -2.701 492 2HG GLU 64 2HG GLU 64 -13.504 -10.862 -1.259 493 H THR 65 H THR 65 -13.669 -9.164 -5.968 494 HA THR 65 HA THR 65 -12.191 -11.527 -6.631 495 HB THR 65 HB THR 65 -13.213 -9.454 -8.570 496 HG1 THR 65 HG1 THR 65 -15.169 -10.414 -8.476 497 1HG2 THR 65 1HG2 THR 65 -12.186 -10.912 -9.953 498 2HG2 THR 65 2HG2 THR 65 -13.700 -11.792 -9.749 499 3HG2 THR 65 3HG2 THR 65 -12.283 -12.245 -8.803 500 H TYR 66 H TYR 66 -11.693 -8.032 -7.018 501 HA TYR 66 HA TYR 66 -9.078 -8.509 -8.208 502 1HB TYR 66 1HB TYR 66 -10.581 -5.961 -7.599 503 2HB TYR 66 2HB TYR 66 -8.988 -6.011 -8.346 504 HD1 TYR 66 HD1 TYR 66 -12.469 -7.241 -8.802 505 HD2 TYR 66 HD2 TYR 66 -8.803 -6.168 -10.669 506 HE1 TYR 66 HE1 TYR 66 -13.531 -7.484 -11.001 507 HE2 TYR 66 HE2 TYR 66 -9.853 -6.407 -12.879 508 HH TYR 66 HH TYR 66 -11.852 -7.725 -13.839 509 H MET 67 H MET 67 -10.001 -8.798 -5.158 510 HA MET 67 HA MET 67 -8.106 -7.063 -3.836 511 1HB MET 67 1HB MET 67 -8.726 -8.196 -1.777 512 2HB MET 67 2HB MET 67 -10.163 -7.736 -2.671 513 1HG MET 67 1HG MET 67 -10.871 -9.808 -2.432 514 2HG MET 67 2HG MET 67 -9.597 -10.305 -3.540 515 1HE MET 67 1HE MET 67 -8.372 -9.150 0.344 516 2HE MET 67 2HE MET 67 -9.598 -10.246 0.982 517 3HE MET 67 3HE MET 67 -10.061 -8.955 -0.125 518 H ASP 68 H ASP 68 -6.689 -8.430 -5.750 519 HA ASP 68 HA ASP 68 -5.552 -10.853 -4.937 520 1HB ASP 68 1HB ASP 68 -5.049 -8.847 -6.981 521 2HB ASP 68 2HB ASP 68 -3.553 -9.549 -6.372 522 H GLY 69 H GLY 69 -4.919 -7.580 -3.945 523 1HA GLY 69 1HA GLY 69 -3.385 -8.450 -1.712 524 2HA GLY 69 2HA GLY 69 -2.342 -7.758 -2.947 525 H VAL 70 H VAL 70 -5.549 -6.925 -1.648 526 HA VAL 70 HA VAL 70 -4.833 -4.123 -1.673 527 HB VAL 70 HB VAL 70 -7.181 -3.789 -0.873 528 1HG1 VAL 70 1HG1 VAL 70 -8.192 -4.734 -3.038 529 2HG1 VAL 70 2HG1 VAL 70 -6.559 -5.304 -3.387 530 3HG1 VAL 70 3HG1 VAL 70 -6.865 -3.579 -3.183 531 1HG2 VAL 70 1HG2 VAL 70 -7.562 -6.716 -1.422 532 2HG2 VAL 70 2HG2 VAL 70 -8.689 -5.582 -0.680 533 3HG2 VAL 70 3HG2 VAL 70 -7.255 -6.106 0.202 534 H HIS 71 H HIS 71 -4.216 -2.936 0.005 535 HA HIS 71 HA HIS 71 -3.978 -4.235 2.611 536 1HB HIS 71 1HB HIS 71 -2.536 -2.092 1.184 537 2HB HIS 71 2HB HIS 71 -2.717 -1.848 2.917 538 HD1 HIS 71 HD1 HIS 71 -1.562 -4.628 0.566 539 HD2 HIS 71 HD2 HIS 71 -0.738 -3.018 4.335 540 HE1 HIS 71 HE1 HIS 71 0.438 -5.907 1.458 541 HE2 HIS 71 HE2 HIS 71 0.845 -4.984 3.767 542 H LEU 72 H LEU 72 -6.012 -2.054 1.016 543 HA LEU 72 HA LEU 72 -7.365 -1.409 3.502 544 1HB LEU 72 1HB LEU 72 -5.904 0.587 1.842 545 2HB LEU 72 2HB LEU 72 -7.435 1.069 2.543 546 HG LEU 72 HG LEU 72 -5.829 -0.152 4.580 547 1HD1 LEU 72 1HD1 LEU 72 -4.340 1.433 2.658 548 2HD1 LEU 72 2HD1 LEU 72 -3.762 0.445 3.999 549 3HD1 LEU 72 3HD1 LEU 72 -4.268 2.110 4.285 550 1HD2 LEU 72 1HD2 LEU 72 -6.687 1.530 5.793 551 2HD2 LEU 72 2HD2 LEU 72 -7.673 1.848 4.367 552 3HD2 LEU 72 3HD2 LEU 72 -6.184 2.756 4.628 553 H ILE 73 H ILE 73 -9.552 -0.816 3.195 554 HA ILE 73 HA ILE 73 -10.472 -0.657 0.431 555 HB ILE 73 HB ILE 73 -10.936 -2.872 0.623 556 1HG1 ILE 73 1HG1 ILE 73 -13.347 -1.626 1.943 557 2HG1 ILE 73 2HG1 ILE 73 -13.073 -1.769 0.216 558 1HG2 ILE 73 1HG2 ILE 73 -10.339 -3.850 2.490 559 2HG2 ILE 73 2HG2 ILE 73 -11.967 -3.536 3.077 560 3HG2 ILE 73 3HG2 ILE 73 -10.676 -2.403 3.428 561 1HD1 ILE 73 1HD1 ILE 73 -13.847 -3.853 2.188 562 2HD1 ILE 73 2HD1 ILE 73 -12.962 -4.315 0.738 563 3HD1 ILE 73 3HD1 ILE 73 -14.516 -3.494 0.597 564 H CYS 74 H CYS 74 -12.351 0.472 0.099 565 HA CYS 74 HA CYS 74 -13.532 1.765 2.466 566 1HB CYS 74 1HB CYS 74 -12.003 3.026 0.485 567 2HB CYS 74 2HB CYS 74 -13.671 3.437 0.103 568 HG CYS 74 HG CYS 74 -13.865 4.742 2.247 569 H THR 75 H THR 75 -15.492 0.822 2.605 570 HA THR 75 HA THR 75 -17.290 1.096 0.318 571 HB THR 75 HB THR 75 -17.102 -1.477 1.894 572 HG1 THR 75 HG1 THR 75 -16.358 -2.123 -0.400 573 1HG2 THR 75 1HG2 THR 75 -19.264 -1.326 0.994 574 2HG2 THR 75 2HG2 THR 75 -18.357 -2.357 -0.112 575 3HG2 THR 75 3HG2 THR 75 -18.669 -0.673 -0.533 576 H THR 76 H THR 76 -19.492 1.306 0.893 577 HA THR 76 HA THR 76 -19.890 2.018 3.706 578 HB THR 76 HB THR 76 -21.728 3.359 2.996 579 HG1 THR 76 HG1 THR 76 -21.790 1.643 0.875 580 1HG2 THR 76 1HG2 THR 76 -19.451 3.572 1.055 581 2HG2 THR 76 2HG2 THR 76 -19.735 4.518 2.517 582 3HG2 THR 76 3HG2 THR 76 -20.784 4.725 1.115 583 H ALA 77 H ALA 77 -20.033 -0.211 4.370 584 HA ALA 77 HA ALA 77 -22.638 -1.109 4.774 585 1HB ALA 77 1HB ALA 77 -22.746 -1.654 2.441 586 2HB ALA 77 2HB ALA 77 -22.668 -3.153 3.364 587 3HB ALA 77 3HB ALA 77 -21.232 -2.553 2.535 588 H ARG 78 H ARG 78 -19.232 -1.744 4.733 589 HA ARG 78 HA ARG 78 -17.871 -2.935 6.103 590 1HB ARG 78 1HB ARG 78 -19.643 -1.898 7.785 591 2HB ARG 78 2HB ARG 78 -20.060 -3.593 7.999 592 1HG ARG 78 1HG ARG 78 -18.259 -3.976 9.240 593 2HG ARG 78 2HG ARG 78 -17.199 -3.183 8.073 594 1HD ARG 78 1HD ARG 78 -17.207 -1.233 9.198 595 2HD ARG 78 2HD ARG 78 -18.907 -1.377 9.636 596 HE ARG 78 HE ARG 78 -16.712 -2.762 11.037 597 1HH1 ARG 78 1HH1 ARG 78 -19.835 -1.177 11.067 598 2HH1 ARG 78 2HH1 ARG 78 -20.050 -1.378 12.771 599 1HH2 ARG 78 1HH2 ARG 78 -17.006 -3.019 13.270 600 2HH2 ARG 78 2HH2 ARG 78 -18.447 -2.421 14.021 601 H VAL 79 H VAL 79 -18.612 -4.337 4.025 602 HA VAL 79 HA VAL 79 -19.886 -6.821 4.697 603 HB VAL 79 HB VAL 79 -18.211 -6.298 2.250 604 1HG1 VAL 79 1HG1 VAL 79 -19.287 -8.610 3.034 605 2HG1 VAL 79 2HG1 VAL 79 -19.168 -8.143 1.338 606 3HG1 VAL 79 3HG1 VAL 79 -20.686 -7.922 2.208 607 1HG2 VAL 79 1HG2 VAL 79 -20.495 -5.715 1.221 608 2HG2 VAL 79 2HG2 VAL 79 -19.681 -4.486 2.190 609 3HG2 VAL 79 3HG2 VAL 79 -21.008 -5.419 2.883 610 H ASP 80 H ASP 80 -17.752 -6.395 6.462 611 HA ASP 80 HA ASP 80 -15.640 -8.198 5.554 612 1HB ASP 80 1HB ASP 80 -14.550 -7.514 7.754 613 2HB ASP 80 2HB ASP 80 -14.687 -6.276 6.516 614 H ARG 81 H ARG 81 -18.415 -8.096 7.572 615 HA ARG 81 HA ARG 81 -17.720 -10.050 9.468 616 1HB ARG 81 1HB ARG 81 -19.971 -8.491 8.873 617 2HB ARG 81 2HB ARG 81 -20.523 -10.157 8.754 618 1HG ARG 81 1HG ARG 81 -20.911 -9.690 10.967 619 2HG ARG 81 2HG ARG 81 -19.315 -10.437 11.042 620 1HD ARG 81 1HD ARG 81 -18.380 -8.074 10.885 621 2HD ARG 81 2HD ARG 81 -20.023 -7.520 11.209 622 HE ARG 81 HE ARG 81 -18.950 -9.433 13.103 623 1HH1 ARG 81 1HH1 ARG 81 -19.422 -6.058 12.327 624 2HH1 ARG 81 2HH1 ARG 81 -19.278 -5.534 13.971 625 1HH2 ARG 81 1HH2 ARG 81 -18.761 -8.739 15.262 626 2HH2 ARG 81 2HH2 ARG 81 -18.903 -7.054 15.635 627 H SER 82 H SER 82 -18.309 -10.325 6.117 628 HA SER 82 HA SER 82 -18.478 -13.247 6.393 629 1HB SER 82 1HB SER 82 -20.601 -11.998 5.559 630 2HB SER 82 2HB SER 82 -19.702 -11.816 4.053 631 HG SER 82 HG SER 82 -20.278 -13.777 3.625 632 H PHE 83 H PHE 83 -16.514 -10.798 5.496 633 HA PHE 83 HA PHE 83 -15.485 -12.016 3.056 634 1HB PHE 83 1HB PHE 83 -15.200 -9.418 4.418 635 2HB PHE 83 2HB PHE 83 -13.746 -9.999 3.623 636 HD1 PHE 83 HD1 PHE 83 -17.192 -10.629 2.443 637 HD2 PHE 83 HD2 PHE 83 -13.619 -8.377 1.928 638 HE1 PHE 83 HE1 PHE 83 -18.037 -9.787 0.290 639 HE2 PHE 83 HE2 PHE 83 -14.457 -7.530 -0.224 640 HZ PHE 83 HZ PHE 83 -16.668 -8.235 -1.046 641 H GLY 84 H GLY 84 -14.405 -11.298 6.365 642 1HA GLY 84 1HA GLY 84 -13.136 -13.358 7.253 643 2HA GLY 84 2HA GLY 84 -12.052 -13.010 5.915 644 H ASP 85 H ASP 85 -11.185 -10.713 5.889 645 HA ASP 85 HA ASP 85 -11.012 -9.415 8.465 646 1HB ASP 85 1HB ASP 85 -9.241 -11.342 8.282 647 2HB ASP 85 2HB ASP 85 -8.387 -10.199 7.250 648 H ILE 86 H ILE 86 -11.697 -8.981 5.502 649 HA ILE 86 HA ILE 86 -9.888 -7.262 4.305 650 HB ILE 86 HB ILE 86 -11.899 -8.203 3.194 651 1HG1 ILE 86 1HG1 ILE 86 -12.118 -5.256 2.871 652 2HG1 ILE 86 2HG1 ILE 86 -10.558 -6.006 2.555 653 1HG2 ILE 86 1HG2 ILE 86 -13.285 -7.097 5.300 654 2HG2 ILE 86 2HG2 ILE 86 -13.990 -7.763 3.827 655 3HG2 ILE 86 3HG2 ILE 86 -13.672 -6.030 3.949 656 1HD1 ILE 86 1HD1 ILE 86 -11.556 -5.953 0.479 657 2HD1 ILE 86 2HD1 ILE 86 -13.151 -6.346 1.121 658 3HD1 ILE 86 3HD1 ILE 86 -11.904 -7.592 1.033 659 HA PRO 87 HA PRO 87 -10.177 -4.001 7.468 660 1HB PRO 87 1HB PRO 87 -8.078 -2.561 6.492 661 2HB PRO 87 2HB PRO 87 -7.884 -3.972 7.538 662 1HG PRO 87 1HG PRO 87 -7.705 -3.803 4.545 663 2HG PRO 87 2HG PRO 87 -6.615 -4.621 5.683 664 1HD PRO 87 1HD PRO 87 -8.465 -5.995 4.318 665 2HD PRO 87 2HD PRO 87 -8.077 -6.391 6.003 666 H LEU 88 H LEU 88 -12.270 -3.503 6.171 667 HA LEU 88 HA LEU 88 -11.864 -1.286 4.308 668 1HB LEU 88 1HB LEU 88 -14.069 -1.582 3.536 669 2HB LEU 88 2HB LEU 88 -13.372 -3.177 3.677 670 HG LEU 88 HG LEU 88 -15.020 -2.128 5.922 671 1HD1 LEU 88 1HD1 LEU 88 -16.490 -3.665 3.917 672 2HD1 LEU 88 2HD1 LEU 88 -16.007 -2.060 3.372 673 3HD1 LEU 88 3HD1 LEU 88 -16.972 -2.238 4.833 674 1HD2 LEU 88 1HD2 LEU 88 -13.801 -4.590 5.109 675 2HD2 LEU 88 2HD2 LEU 88 -15.539 -4.806 5.290 676 3HD2 LEU 88 3HD2 LEU 88 -14.583 -4.182 6.633 677 H VAL 89 H VAL 89 -13.313 0.557 4.403 678 HA VAL 89 HA VAL 89 -14.217 1.229 7.106 679 HB VAL 89 HB VAL 89 -12.822 3.378 5.573 680 1HG1 VAL 89 1HG1 VAL 89 -13.378 4.471 7.419 681 2HG1 VAL 89 2HG1 VAL 89 -12.242 3.463 8.314 682 3HG1 VAL 89 3HG1 VAL 89 -13.935 2.985 8.187 683 1HG2 VAL 89 1HG2 VAL 89 -10.774 2.525 5.709 684 2HG2 VAL 89 2HG2 VAL 89 -11.441 1.017 6.323 685 3HG2 VAL 89 3HG2 VAL 89 -10.966 2.286 7.444 686 H HIS 90 H HIS 90 -15.757 2.970 7.164 687 HA HIS 90 HA HIS 90 -17.440 3.006 4.812 688 1HB HIS 90 1HB HIS 90 -17.719 4.056 7.617 689 2HB HIS 90 2HB HIS 90 -18.866 4.511 6.361 690 HD1 HIS 90 HD1 HIS 90 -20.257 3.145 8.464 691 HD2 HIS 90 HD2 HIS 90 -18.146 0.978 5.584 692 HE1 HIS 90 HE1 HIS 90 -21.237 0.807 8.481 693 HE2 HIS 90 HE2 HIS 90 -20.074 -0.406 6.604 694 H GLY 91 H GLY 91 -17.880 4.751 3.513 695 1HA GLY 91 1HA GLY 91 -16.097 7.076 3.877 696 2HA GLY 91 2HA GLY 91 -16.671 6.490 2.322 697 H MET 92 H MET 92 -18.828 6.667 5.040 698 HA MET 92 HA MET 92 -20.763 8.152 3.710 699 1HB MET 92 1HB MET 92 -21.158 6.763 5.731 700 2HB MET 92 2HB MET 92 -20.355 7.988 6.702 701 1HG MET 92 1HG MET 92 -22.086 9.615 5.881 702 2HG MET 92 2HG MET 92 -22.941 8.234 5.196 703 1HE MET 92 1HE MET 92 -23.609 10.508 7.096 704 2HE MET 92 2HE MET 92 -23.027 10.317 8.749 705 3HE MET 92 3HE MET 92 -24.665 9.818 8.328 706 HA PRO 93 HA PRO 93 -19.143 12.101 5.922 707 1HB PRO 93 1HB PRO 93 -16.704 12.073 7.060 708 2HB PRO 93 2HB PRO 93 -18.154 11.550 7.927 709 1HG PRO 93 1HG PRO 93 -16.051 9.900 6.582 710 2HG PRO 93 2HG PRO 93 -16.843 9.645 8.147 711 1HD PRO 93 1HD PRO 93 -17.552 8.328 5.866 712 2HD PRO 93 2HD PRO 93 -18.679 8.661 7.194 713 H PHE 94 H PHE 94 -17.158 10.069 3.970 714 HA PHE 94 HA PHE 94 -15.511 12.253 2.997 715 1HB PHE 94 1HB PHE 94 -15.235 9.467 3.092 716 2HB PHE 94 2HB PHE 94 -15.405 9.843 1.381 717 HD1 PHE 94 HD1 PHE 94 -13.822 12.010 3.930 718 HD2 PHE 94 HD2 PHE 94 -13.221 9.362 0.650 719 HE1 PHE 94 HE1 PHE 94 -11.451 12.656 3.847 720 HE2 PHE 94 HE2 PHE 94 -10.849 10.004 0.564 721 HZ PHE 94 HZ PHE 94 -9.961 11.652 2.163 722 H VAL 95 H VAL 95 -18.228 10.302 1.882 723 HA VAL 95 HA VAL 95 -18.296 11.503 -0.724 724 HB VAL 95 HB VAL 95 -20.459 9.913 0.662 725 1HG1 VAL 95 1HG1 VAL 95 -19.993 10.282 -2.290 726 2HG1 VAL 95 2HG1 VAL 95 -21.109 11.272 -1.351 727 3HG1 VAL 95 3HG1 VAL 95 -21.379 9.536 -1.498 728 1HG2 VAL 95 1HG2 VAL 95 -17.893 9.073 -0.165 729 2HG2 VAL 95 2HG2 VAL 95 -19.048 8.427 -1.329 730 3HG2 VAL 95 3HG2 VAL 95 -19.239 8.078 0.389 731 H SER 96 H SER 96 -19.598 12.270 2.381 732 HA SER 96 HA SER 96 -21.863 13.741 1.695 733 1HB SER 96 1HB SER 96 -20.318 13.257 4.036 734 2HB SER 96 2HB SER 96 -20.584 14.996 3.920 735 HG SER 96 HG SER 96 -22.520 12.930 3.989 736 H GLY 97 H GLY 97 -18.478 14.734 1.853 737 1HA GLY 97 1HA GLY 97 -17.616 16.418 0.389 738 2HA GLY 97 2HA GLY 97 -19.219 17.131 0.326 739 H VAL 98 H VAL 98 -19.012 16.527 3.456 740 HA VAL 98 HA VAL 98 -17.749 19.124 4.045 741 HB VAL 98 HB VAL 98 -19.872 17.735 5.676 742 1HG1 VAL 98 1HG1 VAL 98 -20.146 19.954 6.703 743 2HG1 VAL 98 2HG1 VAL 98 -18.793 20.550 5.742 744 3HG1 VAL 98 3HG1 VAL 98 -18.529 19.297 6.954 745 1HG2 VAL 98 1HG2 VAL 98 -21.179 19.825 4.653 746 2HG2 VAL 98 2HG2 VAL 98 -21.156 18.243 3.875 747 3HG2 VAL 98 3HG2 VAL 98 -20.068 19.514 3.319 748 H GLY 99 H GLY 99 -17.487 15.769 4.580 749 1HA GLY 99 1HA GLY 99 -15.876 16.232 7.009 750 2HA GLY 99 2HA GLY 99 -16.662 14.715 6.614 751 H ILE 100 H ILE 100 -15.267 16.083 3.857 752 HA ILE 100 HA ILE 100 -13.376 13.994 3.611 753 HB ILE 100 HB ILE 100 -13.410 16.598 2.087 754 1HG1 ILE 100 1HG1 ILE 100 -14.605 14.041 1.084 755 2HG1 ILE 100 2HG1 ILE 100 -15.547 15.098 2.137 756 1HG2 ILE 100 1HG2 ILE 100 -11.471 15.753 1.338 757 2HG2 ILE 100 2HG2 ILE 100 -12.511 14.711 0.367 758 3HG2 ILE 100 3HG2 ILE 100 -11.847 14.121 1.891 759 1HD1 ILE 100 1HD1 ILE 100 -15.503 15.283 -0.545 760 2HD1 ILE 100 2HD1 ILE 100 -14.223 16.422 -0.123 761 3HD1 ILE 100 3HD1 ILE 100 -15.844 16.635 0.536 762 H GLU 101 H GLU 101 -12.976 17.475 4.211 763 HA GLU 101 HA GLU 101 -10.201 17.495 4.398 764 1HB GLU 101 1HB GLU 101 -12.397 19.286 5.098 765 2HB GLU 101 2HB GLU 101 -11.016 19.456 6.172 766 1HG GLU 101 1HG GLU 101 -10.581 19.425 3.225 767 2HG GLU 101 2HG GLU 101 -11.199 20.883 4.000 768 H ALA 102 H ALA 102 -12.625 17.108 6.970 769 HA ALA 102 HA ALA 102 -10.790 16.893 9.092 770 1HB ALA 102 1HB ALA 102 -12.833 17.251 9.973 771 2HB ALA 102 2HB ALA 102 -12.896 15.488 10.013 772 3HB ALA 102 3HB ALA 102 -13.659 16.369 8.690 773 H LEU 103 H LEU 103 -12.420 14.392 7.147 774 HA LEU 103 HA LEU 103 -11.152 12.224 8.485 775 1HB LEU 103 1HB LEU 103 -13.307 12.271 7.011 776 2HB LEU 103 2HB LEU 103 -12.187 12.016 5.684 777 HG LEU 103 HG LEU 103 -11.364 10.051 7.326 778 1HD1 LEU 103 1HD1 LEU 103 -13.448 8.964 8.209 779 2HD1 LEU 103 2HD1 LEU 103 -14.270 10.503 7.953 780 3HD1 LEU 103 3HD1 LEU 103 -12.918 10.403 9.080 781 1HD2 LEU 103 1HD2 LEU 103 -12.405 8.558 5.870 782 2HD2 LEU 103 2HD2 LEU 103 -12.229 10.027 4.909 783 3HD2 LEU 103 3HD2 LEU 103 -13.791 9.618 5.618 784 H GLN 104 H GLN 104 -10.316 14.232 5.756 785 HA GLN 104 HA GLN 104 -8.391 12.632 4.522 786 1HB GLN 104 1HB GLN 104 -9.258 14.743 3.578 787 2HB GLN 104 2HB GLN 104 -8.383 15.644 4.808 788 1HG GLN 104 1HG GLN 104 -6.611 13.866 3.408 789 2HG GLN 104 2HG GLN 104 -7.489 14.891 2.274 790 1HE2 GLN 104 1HE2 GLN 104 -7.647 17.253 3.141 791 2HE2 GLN 104 2HE2 GLN 104 -6.145 17.930 3.660 792 H ASN 105 H ASN 105 -7.927 15.114 7.048 793 HA ASN 105 HA ASN 105 -5.177 14.679 7.365 794 1HB ASN 105 1HB ASN 105 -7.274 16.176 8.711 795 2HB ASN 105 2HB ASN 105 -6.109 15.521 9.857 796 1HD2 ASN 105 1HD2 ASN 105 -5.374 16.450 6.550 797 2HD2 ASN 105 2HD2 ASN 105 -4.359 17.787 6.958 798 H LYS 106 H LYS 106 -7.973 13.252 9.001 799 HA LYS 106 HA LYS 106 -6.500 11.768 10.898 800 1HB LYS 106 1HB LYS 106 -9.273 11.424 9.770 801 2HB LYS 106 2HB LYS 106 -8.616 10.358 11.005 802 1HG LYS 106 1HG LYS 106 -8.675 11.969 12.627 803 2HG LYS 106 2HG LYS 106 -8.554 13.294 11.468 804 1HD LYS 106 1HD LYS 106 -10.838 12.916 10.751 805 2HD LYS 106 2HD LYS 106 -10.966 11.518 11.821 806 1HE LYS 106 1HE LYS 106 -10.550 13.035 13.748 807 2HE LYS 106 2HE LYS 106 -10.596 14.399 12.631 808 1HZ LYS 106 1HZ LYS 106 -12.886 13.200 12.027 809 2HZ LYS 106 2HZ LYS 106 -12.757 14.401 13.211 810 3HZ LYS 106 3HZ LYS 106 -12.769 12.769 13.660 811 H ILE 107 H ILE 107 -7.884 10.836 7.749 812 HA ILE 107 HA ILE 107 -6.996 8.168 7.846 813 HB ILE 107 HB ILE 107 -7.319 8.126 5.396 814 1HG1 ILE 107 1HG1 ILE 107 -8.540 10.694 5.061 815 2HG1 ILE 107 2HG1 ILE 107 -6.900 10.915 5.655 816 1HG2 ILE 107 1HG2 ILE 107 -9.424 9.293 7.174 817 2HG2 ILE 107 2HG2 ILE 107 -9.264 7.644 6.568 818 3HG2 ILE 107 3HG2 ILE 107 -9.763 8.940 5.481 819 1HD1 ILE 107 1HD1 ILE 107 -6.388 9.137 3.759 820 2HD1 ILE 107 2HD1 ILE 107 -6.469 10.870 3.447 821 3HD1 ILE 107 3HD1 ILE 107 -7.854 9.844 3.080 822 H LEU 108 H LEU 108 -5.403 11.140 6.878 823 HA LEU 108 HA LEU 108 -3.221 9.923 5.536 824 1HB LEU 108 1HB LEU 108 -3.928 12.604 6.489 825 2HB LEU 108 2HB LEU 108 -2.205 12.279 6.505 826 HG LEU 108 HG LEU 108 -4.005 12.026 4.101 827 1HD1 LEU 108 1HD1 LEU 108 -3.605 14.155 3.624 828 2HD1 LEU 108 2HD1 LEU 108 -1.879 13.970 3.929 829 3HD1 LEU 108 3HD1 LEU 108 -2.976 14.330 5.262 830 1HD2 LEU 108 1HD2 LEU 108 -1.075 12.116 3.818 831 2HD2 LEU 108 2HD2 LEU 108 -2.278 11.200 2.913 832 3HD2 LEU 108 3HD2 LEU 108 -1.743 10.631 4.494 833 H THR 109 H THR 109 -3.623 11.126 8.851 834 HA THR 109 HA THR 109 -1.053 10.553 9.770 835 HB THR 109 HB THR 109 -2.498 10.170 12.032 836 HG1 THR 109 HG1 THR 109 -4.238 11.292 10.200 837 1HG2 THR 109 1HG2 THR 109 -1.596 12.084 12.649 838 2HG2 THR 109 2HG2 THR 109 -2.446 12.989 11.397 839 3HG2 THR 109 3HG2 THR 109 -0.927 12.176 11.020 840 H ILE 110 H ILE 110 -3.923 8.506 9.609 841 HA ILE 110 HA ILE 110 -2.832 6.335 11.058 842 HB ILE 110 HB ILE 110 -5.000 6.240 8.956 843 1HG1 ILE 110 1HG1 ILE 110 -5.330 6.488 11.949 844 2HG1 ILE 110 2HG1 ILE 110 -5.357 7.871 10.864 845 1HG2 ILE 110 1HG2 ILE 110 -5.559 4.141 9.700 846 2HG2 ILE 110 2HG2 ILE 110 -4.837 4.392 11.288 847 3HG2 ILE 110 3HG2 ILE 110 -3.807 4.095 9.889 848 1HD1 ILE 110 1HD1 ILE 110 -7.318 7.051 9.768 849 2HD1 ILE 110 2HD1 ILE 110 -7.598 7.035 11.509 850 3HD1 ILE 110 3HD1 ILE 110 -7.235 5.532 10.662 851 H LEU 111 H LEU 111 -3.174 6.869 7.542 852 HA LEU 111 HA LEU 111 -1.947 4.485 6.741 853 1HB LEU 111 1HB LEU 111 -1.867 7.103 5.245 854 2HB LEU 111 2HB LEU 111 -1.686 5.497 4.568 855 HG LEU 111 HG LEU 111 -4.214 6.447 5.898 856 1HD1 LEU 111 1HD1 LEU 111 -4.925 7.415 4.018 857 2HD1 LEU 111 2HD1 LEU 111 -4.254 6.140 3.001 858 3HD1 LEU 111 3HD1 LEU 111 -3.224 7.459 3.555 859 1HD2 LEU 111 1HD2 LEU 111 -4.416 4.182 5.896 860 2HD2 LEU 111 2HD2 LEU 111 -3.360 3.976 4.499 861 3HD2 LEU 111 3HD2 LEU 111 -5.019 4.532 4.276 862 H GLN 112 H GLN 112 -0.569 7.583 7.661 863 HA GLN 112 HA GLN 112 2.093 6.861 6.819 864 1HB GLN 112 1HB GLN 112 2.783 8.968 7.804 865 2HB GLN 112 2HB GLN 112 1.335 9.215 6.837 866 1HG GLN 112 1HG GLN 112 -0.010 9.504 8.708 867 2HG GLN 112 2HG GLN 112 1.159 8.755 9.787 868 1HE2 GLN 112 1HE2 GLN 112 1.780 11.210 7.342 869 2HE2 GLN 112 2HE2 GLN 112 2.281 12.441 8.444 870 H GLY 113 H GLY 113 0.210 6.760 9.764 871 1HA GLY 113 1HA GLY 113 0.903 4.945 11.314 872 2HA GLY 113 2HA GLY 113 2.539 5.564 11.138 Start of MODEL 3 1 1H MET 1 1H MET 1 6.286 26.805 -13.547 2 2H MET 1 2H MET 1 5.829 25.521 -14.589 3 3H MET 1 3H MET 1 5.589 27.147 -15.074 4 HA MET 1 HA MET 1 7.547 25.847 -16.002 5 1HB MET 1 1HB MET 1 7.989 28.559 -14.734 6 2HB MET 1 2HB MET 1 8.841 27.904 -16.120 7 1HG MET 1 1HG MET 1 7.349 28.812 -17.461 8 2HG MET 1 2HG MET 1 6.091 27.819 -16.735 9 1HE MET 1 1HE MET 1 4.852 28.802 -14.229 10 2HE MET 1 2HE MET 1 5.442 30.330 -13.578 11 3HE MET 1 3HE MET 1 6.543 28.967 -13.762 12 H GLY 2 H GLY 2 10.060 26.338 -15.475 13 1HA GLY 2 1HA GLY 2 11.170 26.383 -13.009 14 2HA GLY 2 2HA GLY 2 10.585 24.731 -13.131 15 H SER 3 H SER 3 13.330 26.108 -13.102 16 HA SER 3 HA SER 3 14.398 24.770 -15.501 17 1HB SER 3 1HB SER 3 15.570 27.109 -13.977 18 2HB SER 3 2HB SER 3 16.298 26.334 -15.383 19 HG SER 3 HG SER 3 13.880 27.801 -15.257 20 H SER 4 H SER 4 13.821 23.579 -12.881 21 HA SER 4 HA SER 4 16.546 22.680 -12.230 22 1HB SER 4 1HB SER 4 14.271 23.180 -10.297 23 2HB SER 4 2HB SER 4 15.786 22.384 -9.870 24 HG SER 4 HG SER 4 16.482 24.330 -9.527 25 H HIS 5 H HIS 5 16.330 20.558 -10.831 26 HA HIS 5 HA HIS 5 14.121 18.859 -11.551 27 1HB HIS 5 1HB HIS 5 16.699 18.751 -13.014 28 2HB HIS 5 2HB HIS 5 16.012 17.206 -12.527 29 HD1 HIS 5 HD1 HIS 5 16.191 19.038 -15.411 30 HD2 HIS 5 HD2 HIS 5 12.930 17.544 -13.264 31 HE1 HIS 5 HE1 HIS 5 14.267 18.901 -17.057 32 HE2 HIS 5 HE2 HIS 5 12.299 18.077 -15.716 33 H HIS 6 H HIS 6 13.931 18.575 -9.325 34 HA HIS 6 HA HIS 6 14.271 17.579 -7.311 35 1HB HIS 6 1HB HIS 6 14.945 15.703 -9.242 36 2HB HIS 6 2HB HIS 6 16.316 15.669 -8.139 37 HD1 HIS 6 HD1 HIS 6 13.150 16.508 -6.484 38 HD2 HIS 6 HD2 HIS 6 15.282 13.046 -7.455 39 HE1 HIS 6 HE1 HIS 6 12.153 14.649 -5.078 40 HE2 HIS 6 HE2 HIS 6 13.396 12.562 -5.751 41 H HIS 7 H HIS 7 15.483 19.795 -7.162 42 HA HIS 7 HA HIS 7 18.328 19.390 -6.595 43 1HB HIS 7 1HB HIS 7 17.444 21.335 -8.020 44 2HB HIS 7 2HB HIS 7 16.868 22.025 -6.507 45 HD1 HIS 7 HD1 HIS 7 18.415 23.975 -6.265 46 HD2 HIS 7 HD2 HIS 7 20.420 20.377 -6.983 47 HE1 HIS 7 HE1 HIS 7 20.885 24.470 -5.962 48 HE2 HIS 7 HE2 HIS 7 22.069 22.307 -6.483 49 H HIS 8 H HIS 8 16.800 18.098 -4.788 50 HA HIS 8 HA HIS 8 17.445 19.508 -2.347 51 1HB HIS 8 1HB HIS 8 14.776 19.537 -3.350 52 2HB HIS 8 2HB HIS 8 14.806 18.506 -1.922 53 HD1 HIS 8 HD1 HIS 8 13.628 20.052 -0.323 54 HD2 HIS 8 HD2 HIS 8 16.918 21.814 -2.203 55 HE1 HIS 8 HE1 HIS 8 14.013 22.264 0.857 56 HE2 HIS 8 HE2 HIS 8 16.052 23.259 -0.239 57 H HIS 9 H HIS 9 18.931 17.788 -2.124 58 HA HIS 9 HA HIS 9 17.740 15.143 -1.646 59 1HB HIS 9 1HB HIS 9 20.622 15.891 -2.175 60 2HB HIS 9 2HB HIS 9 20.026 14.256 -1.911 61 HD1 HIS 9 HD1 HIS 9 17.384 15.282 -3.778 62 HD2 HIS 9 HD2 HIS 9 21.423 14.820 -4.751 63 HE1 HIS 9 HE1 HIS 9 17.474 14.999 -6.296 64 HE2 HIS 9 HE2 HIS 9 19.909 14.640 -6.841 65 H HIS 10 H HIS 10 17.222 14.908 0.425 66 HA HIS 10 HA HIS 10 19.284 15.486 2.433 67 1HB HIS 10 1HB HIS 10 17.634 16.363 3.975 68 2HB HIS 10 2HB HIS 10 17.571 17.279 2.473 69 HD1 HIS 10 HD1 HIS 10 15.691 15.909 0.713 70 HD2 HIS 10 HD2 HIS 10 15.117 15.992 4.852 71 HE1 HIS 10 HE1 HIS 10 13.223 15.473 1.091 72 HE2 HIS 10 HE2 HIS 10 12.894 15.609 3.586 73 H HIS 11 H HIS 11 16.918 13.359 1.175 74 HA HIS 11 HA HIS 11 17.664 11.337 3.108 75 1HB HIS 11 1HB HIS 11 15.181 12.766 3.323 76 2HB HIS 11 2HB HIS 11 14.847 11.087 2.916 77 HD1 HIS 11 HD1 HIS 11 16.110 13.291 5.639 78 HD2 HIS 11 HD2 HIS 11 15.603 9.210 4.894 79 HE1 HIS 11 HE1 HIS 11 16.379 12.127 7.877 80 HE2 HIS 11 HE2 HIS 11 16.150 9.667 7.381 81 H HIS 12 H HIS 12 17.432 9.250 2.332 82 HA HIS 12 HA HIS 12 16.625 9.053 -0.493 83 1HB HIS 12 1HB HIS 12 18.707 7.594 1.115 84 2HB HIS 12 2HB HIS 12 18.081 6.920 -0.386 85 HD1 HIS 12 HD1 HIS 12 17.899 9.755 -1.860 86 HD2 HIS 12 HD2 HIS 12 21.225 8.141 0.091 87 HE1 HIS 12 HE1 HIS 12 19.929 10.889 -2.871 88 HE2 HIS 12 HE2 HIS 12 21.918 9.835 -1.738 89 H GLU 13 H GLU 13 16.035 7.885 2.698 90 HA GLU 13 HA GLU 13 14.443 6.514 3.559 91 1HB GLU 13 1HB GLU 13 13.324 6.537 0.750 92 2HB GLU 13 2HB GLU 13 12.494 5.920 2.170 93 1HG GLU 13 1HG GLU 13 13.459 8.748 2.065 94 2HG GLU 13 2HG GLU 13 11.929 8.278 1.326 95 H ASN 14 H ASN 14 14.959 4.543 4.177 96 HA ASN 14 HA ASN 14 15.740 2.571 2.130 97 1HB ASN 14 1HB ASN 14 17.241 3.515 4.288 98 2HB ASN 14 2HB ASN 14 16.660 1.939 4.815 99 1HD2 ASN 14 1HD2 ASN 14 19.337 2.487 4.397 100 2HD2 ASN 14 2HD2 ASN 14 19.896 1.565 3.047 101 H LEU 15 H LEU 15 13.061 2.953 2.815 102 HA LEU 15 HA LEU 15 12.257 1.086 4.830 103 1HB LEU 15 1HB LEU 15 11.048 3.192 3.570 104 2HB LEU 15 2HB LEU 15 10.264 1.827 2.802 105 HG LEU 15 HG LEU 15 9.028 2.716 4.758 106 1HD1 LEU 15 1HD1 LEU 15 8.174 0.681 4.958 107 2HD1 LEU 15 2HD1 LEU 15 9.594 0.120 5.839 108 3HD1 LEU 15 3HD1 LEU 15 9.566 0.052 4.077 109 1HD2 LEU 15 1HD2 LEU 15 11.084 3.300 6.063 110 2HD2 LEU 15 2HD2 LEU 15 11.276 1.581 6.409 111 3HD2 LEU 15 3HD2 LEU 15 9.845 2.440 6.978 112 H TYR 16 H TYR 16 11.200 1.039 1.432 113 HA TYR 16 HA TYR 16 12.322 -1.405 0.706 114 1HB TYR 16 1HB TYR 16 10.357 -1.827 2.604 115 2HB TYR 16 2HB TYR 16 9.503 -2.093 1.088 116 HD1 TYR 16 HD1 TYR 16 11.754 -3.241 -0.531 117 HD2 TYR 16 HD2 TYR 16 10.506 -4.009 3.462 118 HE1 TYR 16 HE1 TYR 16 12.712 -5.501 -0.673 119 HE2 TYR 16 HE2 TYR 16 11.461 -6.272 3.332 120 HH TYR 16 HH TYR 16 13.468 -7.272 0.698 121 H PHE 17 H PHE 17 12.488 -0.801 -1.359 122 HA PHE 17 HA PHE 17 10.059 0.139 -2.735 123 1HB PHE 17 1HB PHE 17 12.979 0.658 -3.316 124 2HB PHE 17 2HB PHE 17 11.678 1.095 -4.419 125 HD1 PHE 17 HD1 PHE 17 13.180 1.772 -1.133 126 HD2 PHE 17 HD2 PHE 17 10.294 2.987 -4.014 127 HE1 PHE 17 HE1 PHE 17 12.885 3.900 0.067 128 HE2 PHE 17 HE2 PHE 17 9.994 5.118 -2.821 129 HZ PHE 17 HZ PHE 17 11.291 5.576 -0.778 130 H GLN 18 H GLN 18 9.241 -1.881 -3.284 131 HA GLN 18 HA GLN 18 10.890 -3.454 -5.153 132 1HB GLN 18 1HB GLN 18 9.602 -5.409 -4.524 133 2HB GLN 18 2HB GLN 18 10.276 -4.660 -3.084 134 1HG GLN 18 1HG GLN 18 8.261 -4.177 -2.231 135 2HG GLN 18 2HG GLN 18 7.581 -3.751 -3.800 136 1HE2 GLN 18 1HE2 GLN 18 6.014 -5.110 -2.127 137 2HE2 GLN 18 2HE2 GLN 18 5.831 -6.752 -2.634 138 H GLY 19 H GLY 19 9.082 -1.096 -5.646 139 1HA GLY 19 1HA GLY 19 8.000 -0.636 -7.701 140 2HA GLY 19 2HA GLY 19 7.588 -2.339 -7.838 141 H SER 20 H SER 20 5.986 -3.153 -6.212 142 HA SER 20 HA SER 20 3.829 -1.191 -5.966 143 1HB SER 20 1HB SER 20 2.606 -3.464 -5.291 144 2HB SER 20 2HB SER 20 2.879 -3.024 -6.977 145 HG SER 20 HG SER 20 3.848 -5.119 -5.584 146 H LYS 21 H LYS 21 2.455 -1.278 -3.991 147 HA LYS 21 HA LYS 21 3.828 -2.222 -1.597 148 1HB LYS 21 1HB LYS 21 2.820 0.602 -1.569 149 2HB LYS 21 2HB LYS 21 3.993 -0.168 -0.515 150 1HG LYS 21 1HG LYS 21 5.690 -0.039 -2.143 151 2HG LYS 21 2HG LYS 21 4.538 0.356 -3.421 152 1HD LYS 21 1HD LYS 21 5.699 2.363 -2.794 153 2HD LYS 21 2HD LYS 21 4.034 2.477 -2.227 154 1HE LYS 21 1HE LYS 21 5.134 3.178 -0.353 155 2HE LYS 21 2HE LYS 21 5.063 1.445 -0.035 156 1HZ LYS 21 1HZ LYS 21 7.355 3.100 -0.809 157 2HZ LYS 21 2HZ LYS 21 7.332 1.480 -1.295 158 3HZ LYS 21 3HZ LYS 21 7.257 1.870 0.349 159 H ARG 22 H ARG 22 1.193 0.147 -1.847 160 HA ARG 22 HA ARG 22 -0.596 -1.864 -0.651 161 1HB ARG 22 1HB ARG 22 -0.837 1.129 -0.359 162 2HB ARG 22 2HB ARG 22 -1.683 -0.105 0.558 163 1HG ARG 22 1HG ARG 22 0.753 -0.795 1.256 164 2HG ARG 22 2HG ARG 22 1.109 0.876 0.818 165 1HD ARG 22 1HD ARG 22 -1.015 0.009 2.768 166 2HD ARG 22 2HD ARG 22 0.579 0.599 3.212 167 HE ARG 22 HE ARG 22 -1.339 2.256 1.710 168 1HH1 ARG 22 1HH1 ARG 22 0.884 1.819 4.374 169 2HH1 ARG 22 2HH1 ARG 22 0.705 3.439 4.948 170 1HH2 ARG 22 1HH2 ARG 22 -1.586 4.383 2.485 171 2HH2 ARG 22 2HH2 ARG 22 -0.695 4.894 3.880 172 H LYS 23 H LYS 23 -2.744 -1.960 -1.380 173 HA LYS 23 HA LYS 23 -3.351 -0.374 -3.781 174 1HB LYS 23 1HB LYS 23 -2.903 -3.202 -3.642 175 2HB LYS 23 2HB LYS 23 -4.579 -2.906 -4.084 176 1HG LYS 23 1HG LYS 23 -4.037 -2.171 -6.122 177 2HG LYS 23 2HG LYS 23 -2.672 -1.230 -5.521 178 1HD LYS 23 1HD LYS 23 -1.974 -3.024 -7.056 179 2HD LYS 23 2HD LYS 23 -1.293 -3.220 -5.441 180 1HE LYS 23 1HE LYS 23 -1.995 -5.355 -5.798 181 2HE LYS 23 2HE LYS 23 -3.473 -4.690 -5.107 182 1HZ LYS 23 1HZ LYS 23 -3.356 -6.002 -7.433 183 2HZ LYS 23 2HZ LYS 23 -3.232 -4.405 -7.976 184 3HZ LYS 23 3HZ LYS 23 -4.559 -4.879 -7.041 185 H ILE 24 H ILE 24 -5.038 0.859 -3.262 186 HA ILE 24 HA ILE 24 -7.037 -0.132 -1.388 187 HB ILE 24 HB ILE 24 -6.984 2.602 -2.645 188 1HG1 ILE 24 1HG1 ILE 24 -5.905 3.165 -0.311 189 2HG1 ILE 24 2HG1 ILE 24 -5.366 1.492 -0.383 190 1HG2 ILE 24 1HG2 ILE 24 -8.858 1.385 -1.058 191 2HG2 ILE 24 2HG2 ILE 24 -8.657 3.122 -1.260 192 3HG2 ILE 24 3HG2 ILE 24 -7.906 2.300 0.107 193 1HD1 ILE 24 1HD1 ILE 24 -4.136 3.718 -1.506 194 2HD1 ILE 24 2HD1 ILE 24 -4.821 2.826 -2.864 195 3HD1 ILE 24 3HD1 ILE 24 -3.716 2.022 -1.748 196 H ILE 25 H ILE 25 -9.288 -0.165 -1.872 197 HA ILE 25 HA ILE 25 -9.929 -0.100 -4.737 198 HB ILE 25 HB ILE 25 -9.810 -2.414 -3.991 199 1HG1 ILE 25 1HG1 ILE 25 -12.338 -2.968 -4.306 200 2HG1 ILE 25 2HG1 ILE 25 -12.495 -1.257 -4.644 201 1HG2 ILE 25 1HG2 ILE 25 -10.158 -2.594 -1.773 202 2HG2 ILE 25 2HG2 ILE 25 -11.788 -2.987 -2.313 203 3HG2 ILE 25 3HG2 ILE 25 -11.416 -1.359 -1.753 204 1HD1 ILE 25 1HD1 ILE 25 -10.434 -1.867 -6.222 205 2HD1 ILE 25 2HD1 ILE 25 -12.114 -1.937 -6.742 206 3HD1 ILE 25 3HD1 ILE 25 -11.284 -3.408 -6.228 207 H VAL 26 H VAL 26 -11.987 0.684 -5.283 208 HA VAL 26 HA VAL 26 -13.500 1.902 -3.067 209 HB VAL 26 HB VAL 26 -14.098 3.755 -4.611 210 1HG1 VAL 26 1HG1 VAL 26 -11.774 3.383 -3.134 211 2HG1 VAL 26 2HG1 VAL 26 -12.426 4.919 -3.709 212 3HG1 VAL 26 3HG1 VAL 26 -11.223 4.056 -4.666 213 1HG2 VAL 26 1HG2 VAL 26 -13.739 3.439 -6.790 214 2HG2 VAL 26 2HG2 VAL 26 -12.657 2.083 -6.482 215 3HG2 VAL 26 3HG2 VAL 26 -12.029 3.728 -6.464 216 H ALA 27 H ALA 27 -15.435 0.984 -2.908 217 HA ALA 27 HA ALA 27 -16.759 0.110 -5.386 218 1HB ALA 27 1HB ALA 27 -16.994 -1.913 -4.521 219 2HB ALA 27 2HB ALA 27 -17.851 -1.246 -3.133 220 3HB ALA 27 3HB ALA 27 -16.095 -1.401 -3.097 221 H CYS 28 H CYS 28 -18.556 1.129 -5.887 222 HA CYS 28 HA CYS 28 -20.493 1.881 -3.897 223 1HB CYS 28 1HB CYS 28 -18.518 3.807 -4.741 224 2HB CYS 28 2HB CYS 28 -20.125 4.338 -5.221 225 HG CYS 28 HG CYS 28 -20.773 4.057 -2.618 226 H GLY 29 H GLY 29 -22.478 2.693 -4.820 227 1HA GLY 29 1HA GLY 29 -23.060 1.458 -7.336 228 2HA GLY 29 2HA GLY 29 -24.179 2.382 -6.347 229 H GLY 30 H GLY 30 -25.066 3.558 -8.022 230 1HA GLY 30 1HA GLY 30 -23.647 4.828 -10.076 231 2HA GLY 30 2HA GLY 30 -25.245 5.295 -9.513 232 H ALA 31 H ALA 31 -21.848 5.924 -9.357 233 HA ALA 31 HA ALA 31 -21.958 7.861 -7.265 234 1HB ALA 31 1HB ALA 31 -19.954 6.556 -8.752 235 2HB ALA 31 2HB ALA 31 -19.759 7.611 -7.356 236 3HB ALA 31 3HB ALA 31 -19.716 8.288 -8.983 237 H VAL 32 H VAL 32 -21.184 8.316 -10.718 238 HA VAL 32 HA VAL 32 -21.792 9.922 -12.214 239 HB VAL 32 HB VAL 32 -23.696 10.836 -10.051 240 1HG1 VAL 32 1HG1 VAL 32 -23.370 12.783 -11.275 241 2HG1 VAL 32 2HG1 VAL 32 -24.766 12.048 -12.061 242 3HG1 VAL 32 3HG1 VAL 32 -23.169 11.912 -12.796 243 1HG2 VAL 32 1HG2 VAL 32 -23.796 8.648 -11.766 244 2HG2 VAL 32 2HG2 VAL 32 -24.844 9.851 -12.517 245 3HG2 VAL 32 3HG2 VAL 32 -25.138 9.339 -10.855 246 H ALA 33 H ALA 33 -21.308 11.131 -8.900 247 HA ALA 33 HA ALA 33 -19.223 12.886 -9.867 248 1HB ALA 33 1HB ALA 33 -21.521 14.104 -8.347 249 2HB ALA 33 2HB ALA 33 -21.360 14.183 -10.100 250 3HB ALA 33 3HB ALA 33 -20.141 14.932 -9.069 251 H THR 34 H THR 34 -18.421 10.972 -8.472 252 HA THR 34 HA THR 34 -17.753 12.066 -5.884 253 HB THR 34 HB THR 34 -18.511 10.274 -4.531 254 HG1 THR 34 HG1 THR 34 -19.314 8.393 -5.332 255 1HG2 THR 34 1HG2 THR 34 -20.942 10.094 -4.948 256 2HG2 THR 34 2HG2 THR 34 -20.706 10.959 -6.465 257 3HG2 THR 34 3HG2 THR 34 -20.339 11.751 -4.932 258 H SER 35 H SER 35 -17.494 9.366 -8.156 259 HA SER 35 HA SER 35 -15.236 8.116 -7.114 260 1HB SER 35 1HB SER 35 -15.533 8.341 -10.080 261 2HB SER 35 2HB SER 35 -15.139 6.932 -9.095 262 HG SER 35 HG SER 35 -17.634 8.062 -9.681 263 H THR 36 H THR 36 -15.447 10.726 -9.513 264 HA THR 36 HA THR 36 -12.683 11.016 -9.917 265 HB THR 36 HB THR 36 -14.727 13.227 -10.125 266 HG1 THR 36 HG1 THR 36 -15.639 12.102 -11.619 267 1HG2 THR 36 1HG2 THR 36 -12.704 12.909 -12.208 268 2HG2 THR 36 2HG2 THR 36 -12.061 13.347 -10.624 269 3HG2 THR 36 3HG2 THR 36 -13.284 14.361 -11.391 270 H MET 37 H MET 37 -14.896 12.492 -7.594 271 HA MET 37 HA MET 37 -13.117 14.386 -6.529 272 1HB MET 37 1HB MET 37 -15.749 13.435 -5.970 273 2HB MET 37 2HB MET 37 -14.847 13.467 -4.462 274 1HG MET 37 1HG MET 37 -15.546 15.593 -4.398 275 2HG MET 37 2HG MET 37 -14.165 15.865 -5.458 276 1HE MET 37 1HE MET 37 -15.451 18.225 -6.349 277 2HE MET 37 2HE MET 37 -16.598 17.761 -5.092 278 3HE MET 37 3HE MET 37 -17.178 18.174 -6.706 279 H ALA 38 H ALA 38 -13.978 11.149 -5.292 280 HA ALA 38 HA ALA 38 -12.170 11.136 -3.154 281 1HB ALA 38 1HB ALA 38 -13.975 9.544 -3.264 282 2HB ALA 38 2HB ALA 38 -12.440 8.676 -3.195 283 3HB ALA 38 3HB ALA 38 -13.301 8.825 -4.727 284 H ALA 39 H ALA 39 -11.831 9.722 -6.399 285 HA ALA 39 HA ALA 39 -9.258 8.712 -6.129 286 1HB ALA 39 1HB ALA 39 -9.744 8.024 -8.179 287 2HB ALA 39 2HB ALA 39 -9.483 9.662 -8.778 288 3HB ALA 39 3HB ALA 39 -11.092 9.155 -8.268 289 H GLU 40 H GLU 40 -10.195 11.886 -7.485 290 HA GLU 40 HA GLU 40 -7.615 12.871 -7.887 291 1HB GLU 40 1HB GLU 40 -10.290 13.917 -7.942 292 2HB GLU 40 2HB GLU 40 -9.237 15.064 -7.133 293 1HG GLU 40 1HG GLU 40 -8.962 15.772 -9.260 294 2HG GLU 40 2HG GLU 40 -7.690 14.552 -9.217 295 H GLU 41 H GLU 41 -9.694 13.041 -5.024 296 HA GLU 41 HA GLU 41 -7.999 14.701 -3.495 297 1HB GLU 41 1HB GLU 41 -10.300 12.902 -2.915 298 2HB GLU 41 2HB GLU 41 -9.299 13.414 -1.563 299 1HG GLU 41 1HG GLU 41 -9.681 15.788 -2.697 300 2HG GLU 41 2HG GLU 41 -11.140 14.979 -3.266 301 H ILE 42 H ILE 42 -8.450 11.164 -3.422 302 HA ILE 42 HA ILE 42 -6.445 10.644 -1.527 303 HB ILE 42 HB ILE 42 -7.380 8.805 -3.733 304 1HG1 ILE 42 1HG1 ILE 42 -8.411 8.805 -0.909 305 2HG1 ILE 42 2HG1 ILE 42 -9.127 9.859 -2.124 306 1HG2 ILE 42 1HG2 ILE 42 -5.486 7.800 -2.843 307 2HG2 ILE 42 2HG2 ILE 42 -6.792 7.085 -1.898 308 3HG2 ILE 42 3HG2 ILE 42 -5.819 8.386 -1.214 309 1HD1 ILE 42 1HD1 ILE 42 -10.460 8.149 -2.595 310 2HD1 ILE 42 2HD1 ILE 42 -9.450 7.010 -1.706 311 3HD1 ILE 42 3HD1 ILE 42 -9.060 7.416 -3.377 312 H LYS 43 H LYS 43 -6.350 10.776 -5.064 313 HA LYS 43 HA LYS 43 -3.781 9.836 -5.507 314 1HB LYS 43 1HB LYS 43 -5.648 11.620 -6.955 315 2HB LYS 43 2HB LYS 43 -3.958 11.730 -7.426 316 1HG LYS 43 1HG LYS 43 -3.982 9.739 -8.450 317 2HG LYS 43 2HG LYS 43 -4.971 8.991 -7.193 318 1HD LYS 43 1HD LYS 43 -6.476 8.963 -8.908 319 2HD LYS 43 2HD LYS 43 -6.831 10.561 -8.251 320 1HE LYS 43 1HE LYS 43 -5.299 9.827 -10.716 321 2HE LYS 43 2HE LYS 43 -6.648 10.947 -10.535 322 1HZ LYS 43 1HZ LYS 43 -5.153 12.414 -9.266 323 2HZ LYS 43 2HZ LYS 43 -4.635 12.176 -10.859 324 3HZ LYS 43 3HZ LYS 43 -3.865 11.365 -9.591 325 H GLU 44 H GLU 44 -4.755 13.256 -5.162 326 HA GLU 44 HA GLU 44 -2.219 14.370 -5.186 327 1HB GLU 44 1HB GLU 44 -3.181 16.327 -4.195 328 2HB GLU 44 2HB GLU 44 -4.374 15.632 -5.281 329 1HG GLU 44 1HG GLU 44 -5.822 15.184 -3.620 330 2HG GLU 44 2HG GLU 44 -4.553 14.760 -2.476 331 H LEU 45 H LEU 45 -3.963 12.837 -2.560 332 HA LEU 45 HA LEU 45 -2.250 13.668 -0.467 333 1HB LEU 45 1HB LEU 45 -4.549 11.999 -0.776 334 2HB LEU 45 2HB LEU 45 -3.346 11.126 0.155 335 HG LEU 45 HG LEU 45 -4.743 12.259 1.707 336 1HD1 LEU 45 1HD1 LEU 45 -2.218 12.349 2.005 337 2HD1 LEU 45 2HD1 LEU 45 -3.177 13.489 2.947 338 3HD1 LEU 45 3HD1 LEU 45 -2.331 14.034 1.500 339 1HD2 LEU 45 1HD2 LEU 45 -4.362 15.001 1.188 340 2HD2 LEU 45 2HD2 LEU 45 -5.861 14.077 1.097 341 3HD2 LEU 45 3HD2 LEU 45 -4.850 14.260 -0.336 342 H CYS 46 H CYS 46 -2.392 10.632 -2.326 343 HA CYS 46 HA CYS 46 -0.317 9.270 -1.128 344 1HB CYS 46 1HB CYS 46 -1.035 9.283 -4.066 345 2HB CYS 46 2HB CYS 46 -0.078 8.049 -3.254 346 HG CYS 46 HG CYS 46 -2.460 7.127 -3.360 347 H GLN 47 H GLN 47 -0.169 11.791 -3.582 348 HA GLN 47 HA GLN 47 2.656 11.543 -4.001 349 1HB GLN 47 1HB GLN 47 0.467 13.106 -5.087 350 2HB GLN 47 2HB GLN 47 1.890 14.104 -4.820 351 1HG GLN 47 1HG GLN 47 3.208 12.793 -6.260 352 2HG GLN 47 2HG GLN 47 2.017 11.493 -6.292 353 1HE2 GLN 47 1HE2 GLN 47 -0.287 12.635 -6.868 354 2HE2 GLN 47 2HE2 GLN 47 -0.234 13.468 -8.380 355 H SER 48 H SER 48 0.608 13.290 -1.807 356 HA SER 48 HA SER 48 2.310 15.363 -1.035 357 1HB SER 48 1HB SER 48 -0.169 14.853 -0.386 358 2HB SER 48 2HB SER 48 0.553 13.974 0.960 359 HG SER 48 HG SER 48 0.711 16.724 0.354 360 H HIS 49 H HIS 49 2.014 12.064 0.233 361 HA HIS 49 HA HIS 49 4.420 12.511 1.854 362 1HB HIS 49 1HB HIS 49 2.140 11.525 2.732 363 2HB HIS 49 2HB HIS 49 2.768 10.028 2.058 364 HD1 HIS 49 HD1 HIS 49 4.888 8.998 3.169 365 HD2 HIS 49 HD2 HIS 49 3.360 12.393 5.070 366 HE1 HIS 49 HE1 HIS 49 5.998 9.091 5.448 367 HE2 HIS 49 HE2 HIS 49 4.992 11.094 6.599 368 H ASN 50 H ASN 50 3.776 11.514 -1.157 369 HA ASN 50 HA ASN 50 4.839 10.231 -2.700 370 1HB ASN 50 1HB ASN 50 7.073 10.137 -0.664 371 2HB ASN 50 2HB ASN 50 7.215 9.829 -2.392 372 1HD2 ASN 50 1HD2 ASN 50 7.373 12.130 0.046 373 2HD2 ASN 50 2HD2 ASN 50 7.480 13.543 -0.944 374 H ILE 51 H ILE 51 3.015 8.825 -1.261 375 HA ILE 51 HA ILE 51 4.343 6.279 -0.623 376 HB ILE 51 HB ILE 51 1.501 7.037 0.047 377 1HG1 ILE 51 1HG1 ILE 51 3.889 7.143 1.897 378 2HG1 ILE 51 2HG1 ILE 51 3.201 8.557 1.108 379 1HG2 ILE 51 1HG2 ILE 51 1.422 4.833 0.434 380 2HG2 ILE 51 2HG2 ILE 51 2.349 5.206 1.887 381 3HG2 ILE 51 3HG2 ILE 51 3.177 4.671 0.424 382 1HD1 ILE 51 1HD1 ILE 51 1.332 6.866 2.641 383 2HD1 ILE 51 2HD1 ILE 51 1.414 8.621 2.485 384 3HD1 ILE 51 3HD1 ILE 51 2.525 7.779 3.565 385 HA PRO 52 HA PRO 52 2.658 5.520 -4.857 386 1HB PRO 52 1HB PRO 52 4.319 3.099 -4.339 387 2HB PRO 52 2HB PRO 52 4.220 4.110 -5.786 388 1HG PRO 52 1HG PRO 52 6.306 4.285 -4.136 389 2HG PRO 52 2HG PRO 52 5.629 5.728 -4.915 390 1HD PRO 52 1HD PRO 52 5.369 4.795 -2.097 391 2HD PRO 52 2HD PRO 52 5.451 6.445 -2.742 392 H VAL 53 H VAL 53 0.823 4.471 -5.270 393 HA VAL 53 HA VAL 53 0.173 1.939 -4.067 394 HB VAL 53 HB VAL 53 -2.036 2.777 -3.161 395 1HG1 VAL 53 1HG1 VAL 53 0.353 2.451 -1.914 396 2HG1 VAL 53 2HG1 VAL 53 -1.173 2.775 -1.095 397 3HG1 VAL 53 3HG1 VAL 53 -0.063 4.100 -1.443 398 1HG2 VAL 53 1HG2 VAL 53 -1.489 5.334 -2.368 399 2HG2 VAL 53 2HG2 VAL 53 -2.538 4.884 -3.713 400 3HG2 VAL 53 3HG2 VAL 53 -0.852 5.308 -4.013 401 H GLU 54 H GLU 54 -2.054 1.212 -4.822 402 HA GLU 54 HA GLU 54 -2.721 2.463 -7.399 403 1HB GLU 54 1HB GLU 54 -3.154 -0.457 -7.184 404 2HB GLU 54 2HB GLU 54 -2.662 0.510 -8.562 405 1HG GLU 54 1HG GLU 54 -0.496 0.655 -6.849 406 2HG GLU 54 2HG GLU 54 -1.058 -1.009 -6.697 407 H LEU 55 H LEU 55 -4.688 3.233 -7.339 408 HA LEU 55 HA LEU 55 -6.623 2.161 -5.450 409 1HB LEU 55 1HB LEU 55 -6.088 4.655 -5.861 410 2HB LEU 55 2HB LEU 55 -7.082 4.481 -7.295 411 HG LEU 55 HG LEU 55 -8.478 3.428 -5.007 412 1HD1 LEU 55 1HD1 LEU 55 -8.796 5.592 -3.835 413 2HD1 LEU 55 2HD1 LEU 55 -7.449 6.250 -4.763 414 3HD1 LEU 55 3HD1 LEU 55 -7.179 4.915 -3.642 415 1HD2 LEU 55 1HD2 LEU 55 -10.189 4.971 -5.760 416 2HD2 LEU 55 2HD2 LEU 55 -9.470 4.141 -7.139 417 3HD2 LEU 55 3HD2 LEU 55 -9.018 5.807 -6.778 418 H ILE 56 H ILE 56 -7.953 0.628 -6.045 419 HA ILE 56 HA ILE 56 -8.650 0.306 -8.879 420 HB ILE 56 HB ILE 56 -9.617 -1.951 -7.703 421 1HG1 ILE 56 1HG1 ILE 56 -7.030 -1.315 -6.262 422 2HG1 ILE 56 2HG1 ILE 56 -8.623 -1.297 -5.513 423 1HG2 ILE 56 1HG2 ILE 56 -8.216 -1.708 -9.723 424 2HG2 ILE 56 2HG2 ILE 56 -7.798 -3.094 -8.715 425 3HG2 ILE 56 3HG2 ILE 56 -6.797 -1.641 -8.678 426 1HD1 ILE 56 1HD1 ILE 56 -8.745 -3.751 -6.360 427 2HD1 ILE 56 2HD1 ILE 56 -7.835 -3.357 -4.903 428 3HD1 ILE 56 3HD1 ILE 56 -6.988 -3.608 -6.429 429 H GLN 57 H GLN 57 -10.851 -0.097 -9.506 430 HA GLN 57 HA GLN 57 -12.836 0.721 -7.496 431 1HB GLN 57 1HB GLN 57 -13.115 1.427 -10.402 432 2HB GLN 57 2HB GLN 57 -13.937 2.131 -9.017 433 1HG GLN 57 1HG GLN 57 -12.480 3.801 -9.308 434 2HG GLN 57 2HG GLN 57 -11.376 2.744 -8.428 435 1HE2 GLN 57 1HE2 GLN 57 -10.846 4.812 -10.442 436 2HE2 GLN 57 2HE2 GLN 57 -9.963 4.026 -11.702 437 H CYS 58 H CYS 58 -14.548 -0.586 -7.290 438 HA CYS 58 HA CYS 58 -15.416 -2.281 -9.479 439 1HB CYS 58 1HB CYS 58 -13.825 -3.250 -7.230 440 2HB CYS 58 2HB CYS 58 -15.351 -4.110 -7.404 441 HG CYS 58 HG CYS 58 -14.547 -5.165 -9.497 442 H ARG 59 H ARG 59 -17.414 -3.597 -8.781 443 HA ARG 59 HA ARG 59 -19.281 -1.820 -7.567 444 1HB ARG 59 1HB ARG 59 -19.475 -4.650 -8.595 445 2HB ARG 59 2HB ARG 59 -20.841 -3.823 -7.869 446 1HG ARG 59 1HG ARG 59 -21.299 -3.229 -9.972 447 2HG ARG 59 2HG ARG 59 -20.068 -1.994 -9.704 448 1HD ARG 59 1HD ARG 59 -18.397 -3.321 -10.754 449 2HD ARG 59 2HD ARG 59 -19.453 -4.731 -10.794 450 HE ARG 59 HE ARG 59 -20.847 -3.032 -12.280 451 1HH1 ARG 59 1HH1 ARG 59 -17.432 -3.766 -12.327 452 2HH1 ARG 59 2HH1 ARG 59 -17.256 -3.417 -14.014 453 1HH2 ARG 59 1HH2 ARG 59 -20.614 -2.580 -14.496 454 2HH2 ARG 59 2HH2 ARG 59 -19.060 -2.746 -15.245 455 H VAL 60 H VAL 60 -20.948 -3.571 -6.172 456 HA VAL 60 HA VAL 60 -19.623 -3.618 -3.620 457 HB VAL 60 HB VAL 60 -21.952 -2.898 -3.775 458 1HG1 VAL 60 1HG1 VAL 60 -23.743 -4.339 -4.345 459 2HG1 VAL 60 2HG1 VAL 60 -22.687 -5.753 -4.381 460 3HG1 VAL 60 3HG1 VAL 60 -22.540 -4.510 -5.623 461 1HG2 VAL 60 1HG2 VAL 60 -21.913 -5.463 -2.213 462 2HG2 VAL 60 2HG2 VAL 60 -22.726 -3.947 -1.825 463 3HG2 VAL 60 3HG2 VAL 60 -20.968 -4.057 -1.725 464 H ASN 61 H ASN 61 -19.672 -5.804 -6.120 465 HA ASN 61 HA ASN 61 -18.802 -7.945 -4.357 466 1HB ASN 61 1HB ASN 61 -21.347 -7.997 -5.866 467 2HB ASN 61 2HB ASN 61 -20.365 -9.454 -5.967 468 1HD2 ASN 61 1HD2 ASN 61 -22.953 -8.632 -4.580 469 2HD2 ASN 61 2HD2 ASN 61 -22.757 -9.229 -2.971 470 H GLU 62 H GLU 62 -16.880 -7.061 -5.567 471 HA GLU 62 HA GLU 62 -16.336 -8.790 -7.836 472 1HB GLU 62 1HB GLU 62 -16.003 -5.790 -8.014 473 2HB GLU 62 2HB GLU 62 -15.400 -6.940 -9.194 474 1HG GLU 62 1HG GLU 62 -18.210 -7.338 -8.747 475 2HG GLU 62 2HG GLU 62 -17.878 -5.662 -9.162 476 H ILE 63 H ILE 63 -15.227 -6.504 -5.440 477 HA ILE 63 HA ILE 63 -12.463 -6.697 -5.825 478 HB ILE 63 HB ILE 63 -13.808 -6.295 -3.157 479 1HG1 ILE 63 1HG1 ILE 63 -13.434 -3.798 -3.864 480 2HG1 ILE 63 2HG1 ILE 63 -13.517 -4.442 -5.498 481 1HG2 ILE 63 1HG2 ILE 63 -11.093 -6.236 -4.081 482 2HG2 ILE 63 2HG2 ILE 63 -11.717 -6.057 -2.442 483 3HG2 ILE 63 3HG2 ILE 63 -11.558 -4.645 -3.485 484 1HD1 ILE 63 1HD1 ILE 63 -15.620 -3.619 -3.917 485 2HD1 ILE 63 2HD1 ILE 63 -15.696 -5.380 -3.843 486 3HD1 ILE 63 3HD1 ILE 63 -15.729 -4.558 -5.405 487 H GLU 64 H GLU 64 -14.731 -8.735 -4.099 488 HA GLU 64 HA GLU 64 -12.973 -10.201 -2.521 489 1HB GLU 64 1HB GLU 64 -15.705 -10.372 -3.305 490 2HB GLU 64 2HB GLU 64 -14.987 -11.964 -3.513 491 1HG GLU 64 1HG GLU 64 -14.509 -10.468 -0.984 492 2HG GLU 64 2HG GLU 64 -16.058 -11.270 -1.240 493 H THR 65 H THR 65 -13.967 -10.728 -5.879 494 HA THR 65 HA THR 65 -12.348 -13.077 -6.170 495 HB THR 65 HB THR 65 -12.937 -12.861 -8.588 496 HG1 THR 65 HG1 THR 65 -13.904 -11.131 -9.317 497 1HG2 THR 65 1HG2 THR 65 -15.234 -12.651 -6.661 498 2HG2 THR 65 2HG2 THR 65 -14.449 -14.125 -7.229 499 3HG2 THR 65 3HG2 THR 65 -15.378 -13.131 -8.351 500 H TYR 66 H TYR 66 -12.063 -9.652 -7.065 501 HA TYR 66 HA TYR 66 -9.479 -10.123 -8.301 502 1HB TYR 66 1HB TYR 66 -10.802 -7.465 -7.760 503 2HB TYR 66 2HB TYR 66 -9.522 -7.811 -8.918 504 HD1 TYR 66 HD1 TYR 66 -10.461 -10.152 -10.332 505 HD2 TYR 66 HD2 TYR 66 -12.666 -6.793 -8.944 506 HE1 TYR 66 HE1 TYR 66 -12.147 -10.543 -12.080 507 HE2 TYR 66 HE2 TYR 66 -14.355 -7.171 -10.692 508 HH TYR 66 HH TYR 66 -14.143 -8.502 -13.202 509 H MET 67 H MET 67 -10.208 -10.276 -5.244 510 HA MET 67 HA MET 67 -8.534 -8.298 -4.041 511 1HB MET 67 1HB MET 67 -10.439 -10.190 -3.172 512 2HB MET 67 2HB MET 67 -8.941 -10.593 -2.347 513 1HG MET 67 1HG MET 67 -9.676 -7.740 -2.375 514 2HG MET 67 2HG MET 67 -10.721 -8.807 -1.438 515 1HE MET 67 1HE MET 67 -10.155 -10.215 0.310 516 2HE MET 67 2HE MET 67 -9.988 -8.819 1.374 517 3HE MET 67 3HE MET 67 -8.768 -10.091 1.391 518 H ASP 68 H ASP 68 -6.955 -9.367 -5.953 519 HA ASP 68 HA ASP 68 -5.393 -11.575 -5.193 520 1HB ASP 68 1HB ASP 68 -3.734 -10.651 -6.833 521 2HB ASP 68 2HB ASP 68 -5.363 -10.834 -7.477 522 H GLY 69 H GLY 69 -5.132 -8.134 -4.481 523 1HA GLY 69 1HA GLY 69 -3.529 -8.630 -2.181 524 2HA GLY 69 2HA GLY 69 -2.548 -8.003 -3.496 525 H VAL 70 H VAL 70 -5.484 -7.316 -1.623 526 HA VAL 70 HA VAL 70 -5.174 -4.467 -2.221 527 HB VAL 70 HB VAL 70 -7.440 -5.919 -0.840 528 1HG1 VAL 70 1HG1 VAL 70 -6.872 -3.336 -0.447 529 2HG1 VAL 70 2HG1 VAL 70 -8.520 -3.952 -0.519 530 3HG1 VAL 70 3HG1 VAL 70 -7.798 -3.196 -1.939 531 1HG2 VAL 70 1HG2 VAL 70 -8.435 -4.857 -3.158 532 2HG2 VAL 70 2HG2 VAL 70 -7.951 -6.537 -2.929 533 3HG2 VAL 70 3HG2 VAL 70 -6.823 -5.385 -3.645 534 H HIS 71 H HIS 71 -4.418 -3.065 -0.769 535 HA HIS 71 HA HIS 71 -3.727 -4.065 1.886 536 1HB HIS 71 1HB HIS 71 -2.074 -2.858 0.345 537 2HB HIS 71 2HB HIS 71 -2.961 -1.390 0.745 538 HD1 HIS 71 HD1 HIS 71 -0.002 -2.971 1.659 539 HD2 HIS 71 HD2 HIS 71 -3.173 -1.370 3.861 540 HE1 HIS 71 HE1 HIS 71 0.909 -2.514 3.980 541 HE2 HIS 71 HE2 HIS 71 -0.987 -1.431 5.236 542 H LEU 72 H LEU 72 -5.908 -1.891 0.313 543 HA LEU 72 HA LEU 72 -7.254 -1.401 2.816 544 1HB LEU 72 1HB LEU 72 -6.163 0.880 1.165 545 2HB LEU 72 2HB LEU 72 -7.350 1.066 2.438 546 HG LEU 72 HG LEU 72 -4.506 0.111 2.786 547 1HD1 LEU 72 1HD1 LEU 72 -5.390 2.489 4.221 548 2HD1 LEU 72 2HD1 LEU 72 -5.418 2.680 2.467 549 3HD1 LEU 72 3HD1 LEU 72 -3.925 2.209 3.280 550 1HD2 LEU 72 1HD2 LEU 72 -6.649 -0.578 4.351 551 2HD2 LEU 72 2HD2 LEU 72 -6.026 0.857 5.163 552 3HD2 LEU 72 3HD2 LEU 72 -4.968 -0.524 4.878 553 H ILE 73 H ILE 73 -9.430 -0.781 2.533 554 HA ILE 73 HA ILE 73 -10.371 -0.558 -0.228 555 HB ILE 73 HB ILE 73 -10.863 -2.780 -0.090 556 1HG1 ILE 73 1HG1 ILE 73 -13.292 -2.161 1.499 557 2HG1 ILE 73 2HG1 ILE 73 -13.043 -1.234 0.030 558 1HG2 ILE 73 1HG2 ILE 73 -10.208 -3.789 1.753 559 2HG2 ILE 73 2HG2 ILE 73 -11.843 -3.534 2.349 560 3HG2 ILE 73 3HG2 ILE 73 -10.572 -2.385 2.753 561 1HD1 ILE 73 1HD1 ILE 73 -12.871 -4.207 -0.042 562 2HD1 ILE 73 2HD1 ILE 73 -13.288 -3.069 -1.324 563 3HD1 ILE 73 3HD1 ILE 73 -14.439 -3.399 -0.033 564 H CYS 74 H CYS 74 -12.254 0.620 -0.494 565 HA CYS 74 HA CYS 74 -13.294 1.899 1.948 566 1HB CYS 74 1HB CYS 74 -13.214 3.243 -0.748 567 2HB CYS 74 2HB CYS 74 -13.460 3.979 0.830 568 HG CYS 74 HG CYS 74 -10.847 3.760 -0.501 569 H THR 75 H THR 75 -15.203 0.917 2.281 570 HA THR 75 HA THR 75 -17.207 1.099 0.164 571 HB THR 75 HB THR 75 -17.524 -1.381 1.621 572 HG1 THR 75 HG1 THR 75 -15.205 -1.241 1.653 573 1HG2 THR 75 1HG2 THR 75 -16.845 -1.347 -1.259 574 2HG2 THR 75 2HG2 THR 75 -18.338 -0.557 -0.752 575 3HG2 THR 75 3HG2 THR 75 -18.076 -2.264 -0.391 576 H THR 76 H THR 76 -19.320 1.344 0.923 577 HA THR 76 HA THR 76 -19.497 2.075 3.747 578 HB THR 76 HB THR 76 -21.671 2.481 1.710 579 HG1 THR 76 HG1 THR 76 -19.198 3.670 1.789 580 1HG2 THR 76 1HG2 THR 76 -21.714 4.686 3.167 581 2HG2 THR 76 2HG2 THR 76 -21.002 3.604 4.363 582 3HG2 THR 76 3HG2 THR 76 -22.570 3.222 3.650 583 H ALA 77 H ALA 77 -19.499 -0.135 4.497 584 HA ALA 77 HA ALA 77 -22.032 -1.118 5.132 585 1HB ALA 77 1HB ALA 77 -20.788 -3.016 3.191 586 2HB ALA 77 2HB ALA 77 -21.792 -1.694 2.597 587 3HB ALA 77 3HB ALA 77 -22.467 -2.881 3.711 588 H ARG 78 H ARG 78 -18.616 -1.662 4.780 589 HA ARG 78 HA ARG 78 -17.090 -2.748 6.059 590 1HB ARG 78 1HB ARG 78 -18.946 -1.765 7.870 591 2HB ARG 78 2HB ARG 78 -18.788 -3.457 8.312 592 1HG ARG 78 1HG ARG 78 -16.763 -3.154 9.182 593 2HG ARG 78 2HG ARG 78 -16.221 -2.202 7.799 594 1HD ARG 78 1HD ARG 78 -17.601 -0.301 8.782 595 2HD ARG 78 2HD ARG 78 -17.689 -1.271 10.248 596 HE ARG 78 HE ARG 78 -15.169 -0.304 9.053 597 1HH1 ARG 78 1HH1 ARG 78 -17.102 -1.137 11.848 598 2HH1 ARG 78 2HH1 ARG 78 -15.872 -0.690 12.978 599 1HH2 ARG 78 1HH2 ARG 78 -13.562 0.278 10.547 600 2HH2 ARG 78 2HH2 ARG 78 -13.866 0.111 12.244 601 H VAL 79 H VAL 79 -18.112 -4.288 4.157 602 HA VAL 79 HA VAL 79 -19.267 -6.716 5.150 603 HB VAL 79 HB VAL 79 -18.809 -7.617 2.880 604 1HG1 VAL 79 1HG1 VAL 79 -20.910 -6.693 2.991 605 2HG1 VAL 79 2HG1 VAL 79 -20.194 -5.748 1.686 606 3HG1 VAL 79 3HG1 VAL 79 -20.298 -5.070 3.311 607 1HG2 VAL 79 1HG2 VAL 79 -16.787 -5.837 2.748 608 2HG2 VAL 79 2HG2 VAL 79 -18.028 -4.975 1.838 609 3HG2 VAL 79 3HG2 VAL 79 -17.528 -6.589 1.335 610 H ASP 80 H ASP 80 -17.068 -6.281 6.708 611 HA ASP 80 HA ASP 80 -14.985 -8.071 5.692 612 1HB ASP 80 1HB ASP 80 -14.104 -5.993 6.493 613 2HB ASP 80 2HB ASP 80 -15.014 -6.112 7.992 614 H ARG 81 H ARG 81 -17.584 -7.906 7.937 615 HA ARG 81 HA ARG 81 -16.710 -9.785 9.837 616 1HB ARG 81 1HB ARG 81 -18.710 -8.210 9.982 617 2HB ARG 81 2HB ARG 81 -19.581 -9.386 9.008 618 1HG ARG 81 1HG ARG 81 -20.175 -10.289 10.956 619 2HG ARG 81 2HG ARG 81 -18.539 -10.948 10.992 620 1HD ARG 81 1HD ARG 81 -18.658 -9.930 13.050 621 2HD ARG 81 2HD ARG 81 -17.945 -8.649 12.075 622 HE ARG 81 HE ARG 81 -20.766 -8.778 12.914 623 1HH1 ARG 81 1HH1 ARG 81 -17.997 -6.938 11.821 624 2HH1 ARG 81 2HH1 ARG 81 -18.781 -5.411 12.032 625 1HH2 ARG 81 1HH2 ARG 81 -21.785 -6.766 13.182 626 2HH2 ARG 81 2HH2 ARG 81 -20.926 -5.312 12.801 627 H SER 82 H SER 82 -17.565 -10.186 6.571 628 HA SER 82 HA SER 82 -17.766 -13.094 6.970 629 1HB SER 82 1HB SER 82 -19.578 -11.283 5.562 630 2HB SER 82 2HB SER 82 -19.045 -12.634 4.561 631 HG SER 82 HG SER 82 -20.745 -12.608 6.695 632 H PHE 83 H PHE 83 -15.661 -10.914 6.073 633 HA PHE 83 HA PHE 83 -14.812 -12.266 3.602 634 1HB PHE 83 1HB PHE 83 -14.377 -9.520 4.695 635 2HB PHE 83 2HB PHE 83 -13.157 -10.205 3.632 636 HD1 PHE 83 HD1 PHE 83 -13.402 -8.776 1.785 637 HD2 PHE 83 HD2 PHE 83 -16.802 -10.779 3.380 638 HE1 PHE 83 HE1 PHE 83 -14.722 -8.088 -0.174 639 HE2 PHE 83 HE2 PHE 83 -18.126 -10.095 1.423 640 HZ PHE 83 HZ PHE 83 -17.086 -8.748 -0.356 641 H GLY 84 H GLY 84 -13.633 -11.138 6.750 642 1HA GLY 84 1HA GLY 84 -12.236 -13.056 7.778 643 2HA GLY 84 2HA GLY 84 -11.209 -12.762 6.382 644 H ASP 85 H ASP 85 -10.571 -10.369 6.127 645 HA ASP 85 HA ASP 85 -10.402 -8.842 8.558 646 1HB ASP 85 1HB ASP 85 -7.892 -8.830 8.568 647 2HB ASP 85 2HB ASP 85 -8.608 -10.369 9.038 648 H ILE 86 H ILE 86 -11.184 -8.695 5.637 649 HA ILE 86 HA ILE 86 -9.461 -7.100 4.176 650 HB ILE 86 HB ILE 86 -11.521 -8.139 3.283 651 1HG1 ILE 86 1HG1 ILE 86 -11.800 -5.226 2.721 652 2HG1 ILE 86 2HG1 ILE 86 -10.270 -6.008 2.340 653 1HG2 ILE 86 1HG2 ILE 86 -13.577 -7.675 4.009 654 2HG2 ILE 86 2HG2 ILE 86 -13.290 -5.935 3.984 655 3HG2 ILE 86 3HG2 ILE 86 -12.789 -6.892 5.377 656 1HD1 ILE 86 1HD1 ILE 86 -11.473 -7.612 0.926 657 2HD1 ILE 86 2HD1 ILE 86 -11.702 -5.945 0.399 658 3HD1 ILE 86 3HD1 ILE 86 -12.982 -6.774 1.284 659 HA PRO 87 HA PRO 87 -9.555 -3.556 7.014 660 1HB PRO 87 1HB PRO 87 -7.529 -2.217 5.772 661 2HB PRO 87 2HB PRO 87 -7.265 -3.517 6.937 662 1HG PRO 87 1HG PRO 87 -7.240 -3.626 3.943 663 2HG PRO 87 2HG PRO 87 -6.112 -4.362 5.097 664 1HD PRO 87 1HD PRO 87 -8.061 -5.797 3.922 665 2HD PRO 87 2HD PRO 87 -7.557 -6.096 5.595 666 H LEU 88 H LEU 88 -11.720 -3.185 5.834 667 HA LEU 88 HA LEU 88 -11.464 -1.125 3.773 668 1HB LEU 88 1HB LEU 88 -13.706 -1.500 3.171 669 2HB LEU 88 2HB LEU 88 -12.974 -3.074 3.379 670 HG LEU 88 HG LEU 88 -14.464 -1.919 5.681 671 1HD1 LEU 88 1HD1 LEU 88 -16.384 -3.355 4.386 672 2HD1 LEU 88 2HD1 LEU 88 -15.603 -2.517 3.048 673 3HD1 LEU 88 3HD1 LEU 88 -16.274 -1.595 4.393 674 1HD2 LEU 88 1HD2 LEU 88 -14.364 -4.023 6.423 675 2HD2 LEU 88 2HD2 LEU 88 -13.189 -4.296 5.139 676 3HD2 LEU 88 3HD2 LEU 88 -14.886 -4.681 4.873 677 H VAL 89 H VAL 89 -12.942 0.707 3.824 678 HA VAL 89 HA VAL 89 -13.768 1.564 6.494 679 HB VAL 89 HB VAL 89 -11.985 3.263 4.743 680 1HG1 VAL 89 1HG1 VAL 89 -13.556 3.775 7.199 681 2HG1 VAL 89 2HG1 VAL 89 -13.124 4.861 5.880 682 3HG1 VAL 89 3HG1 VAL 89 -11.938 4.471 7.125 683 1HG2 VAL 89 1HG2 VAL 89 -10.331 2.981 6.579 684 2HG2 VAL 89 2HG2 VAL 89 -10.676 1.493 5.699 685 3HG2 VAL 89 3HG2 VAL 89 -11.390 1.763 7.288 686 H HIS 90 H HIS 90 -15.307 3.259 6.491 687 HA HIS 90 HA HIS 90 -16.953 3.293 4.120 688 1HB HIS 90 1HB HIS 90 -17.328 4.646 6.800 689 2HB HIS 90 2HB HIS 90 -18.537 4.561 5.523 690 HD1 HIS 90 HD1 HIS 90 -19.437 3.453 8.101 691 HD2 HIS 90 HD2 HIS 90 -17.281 1.159 5.356 692 HE1 HIS 90 HE1 HIS 90 -19.966 1.032 8.631 693 HE2 HIS 90 HE2 HIS 90 -18.839 -0.292 6.810 694 H GLY 91 H GLY 91 -17.422 5.046 2.831 695 1HA GLY 91 1HA GLY 91 -15.671 7.395 3.219 696 2HA GLY 91 2HA GLY 91 -16.121 6.761 1.644 697 H MET 92 H MET 92 -18.565 6.825 4.076 698 HA MET 92 HA MET 92 -20.353 8.338 2.594 699 1HB MET 92 1HB MET 92 -20.533 6.889 4.864 700 2HB MET 92 2HB MET 92 -20.607 8.513 5.537 701 1HG MET 92 1HG MET 92 -22.338 8.013 3.210 702 2HG MET 92 2HG MET 92 -22.749 7.133 4.682 703 1HE MET 92 1HE MET 92 -24.355 10.478 3.229 704 2HE MET 92 2HE MET 92 -25.361 9.715 4.461 705 3HE MET 92 3HE MET 92 -24.537 8.724 3.257 706 HA PRO 93 HA PRO 93 -19.031 12.185 5.193 707 1HB PRO 93 1HB PRO 93 -16.570 12.187 6.302 708 2HB PRO 93 2HB PRO 93 -17.987 11.551 7.147 709 1HG PRO 93 1HG PRO 93 -15.871 10.080 5.633 710 2HG PRO 93 2HG PRO 93 -16.576 9.698 7.213 711 1HD PRO 93 1HD PRO 93 -17.338 8.464 4.937 712 2HD PRO 93 2HD PRO 93 -18.463 8.760 6.276 713 H PHE 94 H PHE 94 -16.438 10.439 3.514 714 HA PHE 94 HA PHE 94 -15.135 12.746 2.524 715 1HB PHE 94 1HB PHE 94 -14.678 9.979 2.431 716 2HB PHE 94 2HB PHE 94 -14.818 10.485 0.750 717 HD1 PHE 94 HD1 PHE 94 -13.479 12.494 3.560 718 HD2 PHE 94 HD2 PHE 94 -12.593 10.282 0.033 719 HE1 PHE 94 HE1 PHE 94 -11.169 13.335 3.619 720 HE2 PHE 94 HE2 PHE 94 -10.278 11.119 0.088 721 HZ PHE 94 HZ PHE 94 -9.565 12.647 1.881 722 H VAL 95 H VAL 95 -17.799 10.807 1.323 723 HA VAL 95 HA VAL 95 -17.856 12.032 -1.266 724 HB VAL 95 HB VAL 95 -20.111 10.551 0.086 725 1HG1 VAL 95 1HG1 VAL 95 -20.126 9.993 -2.618 726 2HG1 VAL 95 2HG1 VAL 95 -19.700 11.703 -2.550 727 3HG1 VAL 95 3HG1 VAL 95 -21.182 11.134 -1.782 728 1HG2 VAL 95 1HG2 VAL 95 -17.535 9.577 -0.724 729 2HG2 VAL 95 2HG2 VAL 95 -18.793 8.857 -1.729 730 3HG2 VAL 95 3HG2 VAL 95 -18.872 8.706 0.025 731 H SER 96 H SER 96 -18.912 13.000 1.831 732 HA SER 96 HA SER 96 -21.201 14.499 1.145 733 1HB SER 96 1HB SER 96 -19.547 15.560 3.346 734 2HB SER 96 2HB SER 96 -21.246 15.089 3.335 735 HG SER 96 HG SER 96 -19.825 13.743 4.625 736 H GLY 97 H GLY 97 -17.767 15.239 1.063 737 1HA GLY 97 1HA GLY 97 -16.723 16.886 -0.211 738 2HA GLY 97 2HA GLY 97 -18.303 17.542 -0.610 739 H VAL 98 H VAL 98 -18.621 17.321 2.548 740 HA VAL 98 HA VAL 98 -17.335 19.915 3.087 741 HB VAL 98 HB VAL 98 -19.926 18.940 4.293 742 1HG1 VAL 98 1HG1 VAL 98 -20.154 21.204 5.111 743 2HG1 VAL 98 2HG1 VAL 98 -18.654 21.675 4.312 744 3HG1 VAL 98 3HG1 VAL 98 -18.618 20.533 5.655 745 1HG2 VAL 98 1HG2 VAL 98 -21.138 20.078 2.720 746 2HG2 VAL 98 2HG2 VAL 98 -19.781 19.545 1.729 747 3HG2 VAL 98 3HG2 VAL 98 -19.823 21.194 2.352 748 H GLY 99 H GLY 99 -17.734 16.654 4.063 749 1HA GLY 99 1HA GLY 99 -16.618 17.224 6.724 750 2HA GLY 99 2HA GLY 99 -17.418 15.731 6.254 751 H ILE 100 H ILE 100 -15.530 16.458 3.687 752 HA ILE 100 HA ILE 100 -13.729 14.369 4.117 753 HB ILE 100 HB ILE 100 -12.532 15.140 2.148 754 1HG1 ILE 100 1HG1 ILE 100 -14.241 17.452 1.581 755 2HG1 ILE 100 2HG1 ILE 100 -13.192 17.693 2.970 756 1HG2 ILE 100 1HG2 ILE 100 -15.210 14.429 2.259 757 2HG2 ILE 100 2HG2 ILE 100 -14.157 14.358 0.847 758 3HG2 ILE 100 3HG2 ILE 100 -15.161 15.779 1.131 759 1HD1 ILE 100 1HD1 ILE 100 -11.394 16.714 1.285 760 2HD1 ILE 100 2HD1 ILE 100 -11.805 18.428 1.350 761 3HD1 ILE 100 3HD1 ILE 100 -12.522 17.395 0.113 762 H GLU 101 H GLU 101 -13.469 17.810 4.792 763 HA GLU 101 HA GLU 101 -10.745 18.045 5.208 764 1HB GLU 101 1HB GLU 101 -13.088 19.578 5.777 765 2HB GLU 101 2HB GLU 101 -12.060 19.588 7.204 766 1HG GLU 101 1HG GLU 101 -10.166 20.284 5.718 767 2HG GLU 101 2HG GLU 101 -11.347 20.479 4.423 768 H ALA 102 H ALA 102 -13.240 17.252 7.640 769 HA ALA 102 HA ALA 102 -11.396 16.808 9.734 770 1HB ALA 102 1HB ALA 102 -13.302 16.883 10.864 771 2HB ALA 102 2HB ALA 102 -13.697 15.277 10.253 772 3HB ALA 102 3HB ALA 102 -14.234 16.710 9.377 773 H LEU 103 H LEU 103 -13.113 14.545 7.574 774 HA LEU 103 HA LEU 103 -12.058 12.191 8.648 775 1HB LEU 103 1HB LEU 103 -13.937 12.327 7.002 776 2HB LEU 103 2HB LEU 103 -12.755 12.665 5.749 777 HG LEU 103 HG LEU 103 -11.685 10.468 6.222 778 1HD1 LEU 103 1HD1 LEU 103 -14.098 10.033 7.974 779 2HD1 LEU 103 2HD1 LEU 103 -12.439 10.234 8.539 780 3HD1 LEU 103 3HD1 LEU 103 -12.875 8.829 7.564 781 1HD2 LEU 103 1HD2 LEU 103 -12.922 9.845 4.491 782 2HD2 LEU 103 2HD2 LEU 103 -14.200 10.972 4.943 783 3HD2 LEU 103 3HD2 LEU 103 -14.184 9.340 5.614 784 H GLN 104 H GLN 104 -10.919 14.117 5.879 785 HA GLN 104 HA GLN 104 -8.731 12.631 5.145 786 1HB GLN 104 1HB GLN 104 -9.534 14.654 3.959 787 2HB GLN 104 2HB GLN 104 -8.843 15.649 5.234 788 1HG GLN 104 1HG GLN 104 -6.704 15.306 4.542 789 2HG GLN 104 2HG GLN 104 -7.057 13.713 3.876 790 1HE2 GLN 104 1HE2 GLN 104 -6.225 16.765 3.086 791 2HE2 GLN 104 2HE2 GLN 104 -6.815 16.828 1.464 792 H ASN 105 H ASN 105 -8.724 15.298 7.531 793 HA ASN 105 HA ASN 105 -6.052 15.050 8.285 794 1HB ASN 105 1HB ASN 105 -7.859 16.831 8.939 795 2HB ASN 105 2HB ASN 105 -8.131 15.773 10.321 796 1HD2 ASN 105 1HD2 ASN 105 -5.689 14.937 11.037 797 2HD2 ASN 105 2HD2 ASN 105 -4.676 16.267 11.462 798 H LYS 106 H LYS 106 -8.922 13.669 9.911 799 HA LYS 106 HA LYS 106 -7.602 12.246 11.872 800 1HB LYS 106 1HB LYS 106 -10.074 12.566 11.692 801 2HB LYS 106 2HB LYS 106 -10.099 11.333 10.440 802 1HG LYS 106 1HG LYS 106 -10.754 10.336 12.509 803 2HG LYS 106 2HG LYS 106 -9.159 9.723 12.073 804 1HD LYS 106 1HD LYS 106 -8.734 12.044 13.615 805 2HD LYS 106 2HD LYS 106 -9.984 11.114 14.442 806 1HE LYS 106 1HE LYS 106 -7.766 9.481 13.470 807 2HE LYS 106 2HE LYS 106 -7.276 10.702 14.642 808 1HZ LYS 106 1HZ LYS 106 -8.975 8.362 14.999 809 2HZ LYS 106 2HZ LYS 106 -9.409 9.748 15.864 810 3HZ LYS 106 3HZ LYS 106 -7.872 9.072 16.068 811 H ILE 107 H ILE 107 -8.504 11.100 8.605 812 HA ILE 107 HA ILE 107 -7.467 8.514 8.936 813 HB ILE 107 HB ILE 107 -7.498 8.281 6.526 814 1HG1 ILE 107 1HG1 ILE 107 -8.205 11.206 6.305 815 2HG1 ILE 107 2HG1 ILE 107 -6.565 10.611 6.084 816 1HG2 ILE 107 1HG2 ILE 107 -9.616 8.013 7.497 817 2HG2 ILE 107 2HG2 ILE 107 -9.874 9.070 6.108 818 3HG2 ILE 107 3HG2 ILE 107 -9.819 9.747 7.736 819 1HD1 ILE 107 1HD1 ILE 107 -8.891 9.622 4.473 820 2HD1 ILE 107 2HD1 ILE 107 -7.171 9.380 4.167 821 3HD1 ILE 107 3HD1 ILE 107 -7.882 10.985 3.992 822 H LEU 108 H LEU 108 -5.948 11.446 7.609 823 HA LEU 108 HA LEU 108 -3.533 10.280 6.844 824 1HB LEU 108 1HB LEU 108 -4.117 13.082 7.791 825 2HB LEU 108 2HB LEU 108 -2.588 12.587 7.088 826 HG LEU 108 HG LEU 108 -5.267 12.568 5.696 827 1HD1 LEU 108 1HD1 LEU 108 -3.823 14.744 6.200 828 2HD1 LEU 108 2HD1 LEU 108 -4.707 14.519 4.690 829 3HD1 LEU 108 3HD1 LEU 108 -2.977 14.187 4.756 830 1HD2 LEU 108 1HD2 LEU 108 -2.655 12.116 4.328 831 2HD2 LEU 108 2HD2 LEU 108 -4.283 11.663 3.824 832 3HD2 LEU 108 3HD2 LEU 108 -3.478 10.769 5.111 833 H THR 109 H THR 109 -4.432 11.785 9.933 834 HA THR 109 HA THR 109 -1.973 11.572 11.209 835 HB THR 109 HB THR 109 -4.773 11.415 12.331 836 HG1 THR 109 HG1 THR 109 -4.376 13.580 12.821 837 1HG2 THR 109 1HG2 THR 109 -3.926 11.894 14.498 838 2HG2 THR 109 2HG2 THR 109 -2.273 11.998 13.894 839 3HG2 THR 109 3HG2 THR 109 -3.110 10.445 13.912 840 H ILE 110 H ILE 110 -4.551 9.177 10.848 841 HA ILE 110 HA ILE 110 -3.279 7.230 12.517 842 HB ILE 110 HB ILE 110 -5.359 6.617 10.428 843 1HG1 ILE 110 1HG1 ILE 110 -5.904 7.518 13.261 844 2HG1 ILE 110 2HG1 ILE 110 -6.018 8.580 11.868 845 1HG2 ILE 110 1HG2 ILE 110 -4.501 4.646 11.389 846 2HG2 ILE 110 2HG2 ILE 110 -6.024 4.951 12.224 847 3HG2 ILE 110 3HG2 ILE 110 -4.495 5.345 13.009 848 1HD1 ILE 110 1HD1 ILE 110 -7.532 6.195 11.404 849 2HD1 ILE 110 2HD1 ILE 110 -8.067 7.876 11.439 850 3HD1 ILE 110 3HD1 ILE 110 -8.005 6.939 12.932 851 H LEU 111 H LEU 111 -3.502 7.745 9.007 852 HA LEU 111 HA LEU 111 -2.267 5.400 8.156 853 1HB LEU 111 1HB LEU 111 -2.117 8.156 6.930 854 2HB LEU 111 2HB LEU 111 -1.620 6.680 6.127 855 HG LEU 111 HG LEU 111 -4.433 7.276 7.043 856 1HD1 LEU 111 1HD1 LEU 111 -3.042 8.253 4.799 857 2HD1 LEU 111 2HD1 LEU 111 -4.765 8.374 5.149 858 3HD1 LEU 111 3HD1 LEU 111 -4.150 7.011 4.215 859 1HD2 LEU 111 1HD2 LEU 111 -4.430 5.002 7.000 860 2HD2 LEU 111 2HD2 LEU 111 -3.117 4.914 5.826 861 3HD2 LEU 111 3HD2 LEU 111 -4.749 5.322 5.294 862 H GLN 112 H GLN 112 -0.897 8.281 9.561 863 HA GLN 112 HA GLN 112 1.815 7.610 8.846 864 1HB GLN 112 1HB GLN 112 1.023 9.605 10.952 865 2HB GLN 112 2HB GLN 112 2.461 9.592 9.942 866 1HG GLN 112 1HG GLN 112 0.004 9.744 8.398 867 2HG GLN 112 2HG GLN 112 0.193 11.085 9.526 868 1HE2 GLN 112 1HE2 GLN 112 2.884 11.473 9.526 869 2HE2 GLN 112 2HE2 GLN 112 3.414 11.959 7.956 870 H GLY 113 H GLY 113 -0.356 6.656 11.278 871 1HA GLY 113 1HA GLY 113 -0.103 5.276 13.093 872 2HA GLY 113 2HA GLY 113 1.503 4.907 12.484 Start of MODEL 4 1 1H MET 1 1H MET 1 27.101 26.394 -25.909 2 2H MET 1 2H MET 1 25.542 26.559 -26.608 3 3H MET 1 3H MET 1 26.750 27.739 -26.910 4 HA MET 1 HA MET 1 26.976 26.620 -28.784 5 1HB MET 1 1HB MET 1 28.866 26.050 -26.859 6 2HB MET 1 2HB MET 1 28.460 24.454 -27.475 7 1HG MET 1 1HG MET 1 29.214 24.941 -29.608 8 2HG MET 1 2HG MET 1 29.092 26.682 -29.361 9 1HE MET 1 1HE MET 1 30.281 27.750 -27.368 10 2HE MET 1 2HE MET 1 31.504 28.143 -28.577 11 3HE MET 1 3HE MET 1 31.988 27.481 -27.016 12 H GLY 2 H GLY 2 26.762 23.877 -26.509 13 1HA GLY 2 1HA GLY 2 24.309 22.880 -27.405 14 2HA GLY 2 2HA GLY 2 25.566 22.142 -28.384 15 H SER 3 H SER 3 23.671 21.587 -25.828 16 HA SER 3 HA SER 3 25.463 19.549 -24.790 17 1HB SER 3 1HB SER 3 25.367 20.209 -22.515 18 2HB SER 3 2HB SER 3 25.757 21.681 -23.405 19 HG SER 3 HG SER 3 23.974 22.519 -22.700 20 H SER 4 H SER 4 24.000 18.680 -22.646 21 HA SER 4 HA SER 4 21.279 18.249 -23.652 22 1HB SER 4 1HB SER 4 22.807 16.361 -24.363 23 2HB SER 4 2HB SER 4 23.010 15.982 -22.653 24 HG SER 4 HG SER 4 20.530 16.066 -24.032 25 H HIS 5 H HIS 5 19.992 16.946 -21.936 26 HA HIS 5 HA HIS 5 19.979 18.474 -19.556 27 1HB HIS 5 1HB HIS 5 18.027 17.235 -20.696 28 2HB HIS 5 2HB HIS 5 18.614 15.807 -19.850 29 HD1 HIS 5 HD1 HIS 5 18.147 19.399 -18.642 30 HD2 HIS 5 HD2 HIS 5 16.947 15.497 -17.743 31 HE1 HIS 5 HE1 HIS 5 16.749 19.559 -16.532 32 HE2 HIS 5 HE2 HIS 5 16.114 17.186 -15.970 33 H HIS 6 H HIS 6 20.597 14.990 -20.010 34 HA HIS 6 HA HIS 6 21.908 13.517 -18.878 35 1HB HIS 6 1HB HIS 6 23.586 15.446 -19.313 36 2HB HIS 6 2HB HIS 6 23.373 15.811 -17.605 37 HD1 HIS 6 HD1 HIS 6 23.171 12.694 -16.795 38 HD2 HIS 6 HD2 HIS 6 26.210 14.571 -18.967 39 HE1 HIS 6 HE1 HIS 6 25.235 11.246 -16.516 40 HE2 HIS 6 HE2 HIS 6 27.023 12.359 -17.900 41 H HIS 7 H HIS 7 21.822 12.416 -16.978 42 HA HIS 7 HA HIS 7 20.786 13.810 -14.613 43 1HB HIS 7 1HB HIS 7 19.024 12.489 -16.019 44 2HB HIS 7 2HB HIS 7 19.783 11.067 -15.314 45 HD1 HIS 7 HD1 HIS 7 17.029 11.172 -14.520 46 HD2 HIS 7 HD2 HIS 7 19.883 13.496 -12.539 47 HE1 HIS 7 HE1 HIS 7 16.030 11.739 -12.262 48 HE2 HIS 7 HE2 HIS 7 17.734 13.208 -11.126 49 H HIS 8 H HIS 8 22.281 13.564 -13.086 50 HA HIS 8 HA HIS 8 24.194 11.434 -13.143 51 1HB HIS 8 1HB HIS 8 24.034 13.967 -11.958 52 2HB HIS 8 2HB HIS 8 24.092 12.837 -10.610 53 HD1 HIS 8 HD1 HIS 8 26.232 11.363 -10.365 54 HD2 HIS 8 HD2 HIS 8 26.393 14.236 -13.399 55 HE1 HIS 8 HE1 HIS 8 28.671 11.543 -11.037 56 HE2 HIS 8 HE2 HIS 8 28.724 13.223 -12.915 57 H HIS 9 H HIS 9 21.102 11.135 -12.490 58 HA HIS 9 HA HIS 9 21.285 9.683 -9.980 59 1HB HIS 9 1HB HIS 9 19.357 11.255 -10.701 60 2HB HIS 9 2HB HIS 9 18.828 9.906 -11.700 61 HD1 HIS 9 HD1 HIS 9 18.132 7.688 -10.426 62 HD2 HIS 9 HD2 HIS 9 18.713 11.070 -8.039 63 HE1 HIS 9 HE1 HIS 9 17.045 7.170 -8.195 64 HE2 HIS 9 HE2 HIS 9 17.327 9.261 -6.816 65 H HIS 10 H HIS 10 22.659 7.977 -10.767 66 HA HIS 10 HA HIS 10 21.984 6.301 -12.930 67 1HB HIS 10 1HB HIS 10 23.515 4.643 -11.726 68 2HB HIS 10 2HB HIS 10 24.221 6.192 -12.175 69 HD1 HIS 10 HD1 HIS 10 22.730 4.453 -9.139 70 HD2 HIS 10 HD2 HIS 10 25.369 7.546 -10.110 71 HE1 HIS 10 HE1 HIS 10 23.748 5.224 -6.949 72 HE2 HIS 10 HE2 HIS 10 25.259 7.148 -7.556 73 H HIS 11 H HIS 11 20.688 4.552 -13.104 74 HA HIS 11 HA HIS 11 19.264 3.687 -10.673 75 1HB HIS 11 1HB HIS 11 18.266 4.574 -13.262 76 2HB HIS 11 2HB HIS 11 17.643 2.988 -12.823 77 HD1 HIS 11 HD1 HIS 11 15.340 3.396 -12.023 78 HD2 HIS 11 HD2 HIS 11 18.082 6.132 -10.453 79 HE1 HIS 11 HE1 HIS 11 14.050 4.811 -10.362 80 HE2 HIS 11 HE2 HIS 11 15.693 6.537 -9.544 81 H HIS 12 H HIS 12 20.950 2.090 -10.401 82 HA HIS 12 HA HIS 12 20.769 -0.139 -12.315 83 1HB HIS 12 1HB HIS 12 23.000 1.016 -10.781 84 2HB HIS 12 2HB HIS 12 22.938 -0.742 -10.772 85 HD1 HIS 12 HD1 HIS 12 22.947 -1.917 -13.186 86 HD2 HIS 12 HD2 HIS 12 24.014 2.122 -13.066 87 HE1 HIS 12 HE1 HIS 12 24.119 -1.432 -15.383 88 HE2 HIS 12 HE2 HIS 12 24.820 0.984 -15.246 89 H GLU 13 H GLU 13 20.135 0.844 -9.081 90 HA GLU 13 HA GLU 13 20.178 -1.693 -7.827 91 1HB GLU 13 1HB GLU 13 18.523 0.719 -7.064 92 2HB GLU 13 2HB GLU 13 18.958 -0.629 -6.023 93 1HG GLU 13 1HG GLU 13 21.378 0.361 -6.997 94 2HG GLU 13 2HG GLU 13 20.411 1.782 -6.614 95 H ASN 14 H ASN 14 19.113 -2.885 -9.601 96 HA ASN 14 HA ASN 14 17.359 -4.081 -10.410 97 1HB ASN 14 1HB ASN 14 15.986 -2.996 -7.942 98 2HB ASN 14 2HB ASN 14 15.319 -4.248 -8.986 99 1HD2 ASN 14 1HD2 ASN 14 16.133 -6.303 -8.899 100 2HD2 ASN 14 2HD2 ASN 14 17.248 -6.826 -7.687 101 H LEU 15 H LEU 15 15.733 -3.820 -11.883 102 HA LEU 15 HA LEU 15 14.564 -1.128 -12.122 103 1HB LEU 15 1HB LEU 15 16.378 -1.490 -13.772 104 2HB LEU 15 2HB LEU 15 15.505 -2.875 -14.398 105 HG LEU 15 HG LEU 15 13.669 -0.764 -14.501 106 1HD1 LEU 15 1HD1 LEU 15 16.015 0.505 -14.247 107 2HD1 LEU 15 2HD1 LEU 15 14.676 1.124 -15.215 108 3HD1 LEU 15 3HD1 LEU 15 16.000 0.255 -15.993 109 1HD2 LEU 15 1HD2 LEU 15 13.908 -1.034 -16.922 110 2HD2 LEU 15 2HD2 LEU 15 13.857 -2.593 -16.098 111 3HD2 LEU 15 3HD2 LEU 15 15.395 -1.948 -16.671 112 H TYR 16 H TYR 16 13.537 -3.659 -10.966 113 HA TYR 16 HA TYR 16 11.189 -3.978 -12.714 114 1HB TYR 16 1HB TYR 16 12.954 -5.983 -11.542 115 2HB TYR 16 2HB TYR 16 11.266 -6.260 -11.127 116 HD1 TYR 16 HD1 TYR 16 9.962 -7.485 -12.591 117 HD2 TYR 16 HD2 TYR 16 13.393 -5.468 -14.095 118 HE1 TYR 16 HE1 TYR 16 9.583 -8.498 -14.800 119 HE2 TYR 16 HE2 TYR 16 13.023 -6.475 -16.307 120 HH TYR 16 HH TYR 16 11.905 -8.422 -17.283 121 H PHE 17 H PHE 17 11.336 -1.965 -10.808 122 HA PHE 17 HA PHE 17 9.556 -2.959 -8.682 123 1HB PHE 17 1HB PHE 17 10.342 -1.219 -7.246 124 2HB PHE 17 2HB PHE 17 11.763 -1.978 -7.951 125 HD1 PHE 17 HD1 PHE 17 9.499 0.943 -8.324 126 HD2 PHE 17 HD2 PHE 17 13.363 -0.691 -9.042 127 HE1 PHE 17 HE1 PHE 17 10.283 3.145 -9.090 128 HE2 PHE 17 HE2 PHE 17 14.154 1.510 -9.810 129 HZ PHE 17 HZ PHE 17 12.614 3.430 -9.833 130 H GLN 18 H GLN 18 7.836 -1.528 -7.991 131 HA GLN 18 HA GLN 18 6.961 0.333 -10.099 132 1HB GLN 18 1HB GLN 18 5.754 -2.010 -9.756 133 2HB GLN 18 2HB GLN 18 4.928 -1.126 -8.480 134 1HG GLN 18 1HG GLN 18 3.552 -0.929 -10.361 135 2HG GLN 18 2HG GLN 18 4.389 0.618 -10.237 136 1HE2 GLN 18 1HE2 GLN 18 4.204 -2.409 -11.976 137 2HE2 GLN 18 2HE2 GLN 18 5.038 -1.872 -13.391 138 H GLY 19 H GLY 19 6.750 -0.548 -6.671 139 1HA GLY 19 1HA GLY 19 6.922 0.938 -4.872 140 2HA GLY 19 2HA GLY 19 6.709 2.278 -5.987 141 H SER 20 H SER 20 5.283 0.463 -3.580 142 HA SER 20 HA SER 20 2.927 1.968 -3.519 143 1HB SER 20 1HB SER 20 1.242 0.429 -4.252 144 2HB SER 20 2HB SER 20 2.427 0.550 -5.552 145 HG SER 20 HG SER 20 3.183 -1.435 -5.068 146 H LYS 21 H LYS 21 3.722 -1.458 -2.959 147 HA LYS 21 HA LYS 21 3.929 -2.676 -1.041 148 1HB LYS 21 1HB LYS 21 4.623 -0.066 -0.215 149 2HB LYS 21 2HB LYS 21 3.520 -0.690 1.002 150 1HG LYS 21 1HG LYS 21 4.955 -2.345 1.660 151 2HG LYS 21 2HG LYS 21 5.751 -2.432 0.088 152 1HD LYS 21 1HD LYS 21 7.328 -0.991 0.725 153 2HD LYS 21 2HD LYS 21 6.123 0.166 1.296 154 1HE LYS 21 1HE LYS 21 6.267 -0.539 3.446 155 2HE LYS 21 2HE LYS 21 6.565 -2.216 2.988 156 1HZ LYS 21 1HZ LYS 21 8.776 -1.911 2.999 157 2HZ LYS 21 2HZ LYS 21 8.427 -0.582 3.986 158 3HZ LYS 21 3HZ LYS 21 8.689 -0.358 2.330 159 H ARG 22 H ARG 22 1.517 -0.059 -0.637 160 HA ARG 22 HA ARG 22 -0.361 -2.103 0.328 161 1HB ARG 22 1HB ARG 22 -0.324 0.858 0.950 162 2HB ARG 22 2HB ARG 22 -1.492 -0.305 1.565 163 1HG ARG 22 1HG ARG 22 -0.135 -0.933 3.213 164 2HG ARG 22 2HG ARG 22 1.225 -1.139 2.109 165 1HD ARG 22 1HD ARG 22 2.155 0.657 3.028 166 2HD ARG 22 2HD ARG 22 0.861 1.626 2.328 167 HE ARG 22 HE ARG 22 1.068 0.703 5.087 168 1HH1 ARG 22 1HH1 ARG 22 -0.812 2.348 2.643 169 2HH1 ARG 22 2HH1 ARG 22 -1.853 3.118 3.790 170 1HH2 ARG 22 1HH2 ARG 22 -0.309 1.715 6.591 171 2HH2 ARG 22 2HH2 ARG 22 -1.570 2.760 6.027 172 H LYS 23 H LYS 23 -2.433 -2.153 -0.517 173 HA LYS 23 HA LYS 23 -2.982 -0.356 -2.781 174 1HB LYS 23 1HB LYS 23 -2.986 -3.335 -2.654 175 2HB LYS 23 2HB LYS 23 -4.187 -2.548 -3.668 176 1HG LYS 23 1HG LYS 23 -2.698 -2.127 -5.256 177 2HG LYS 23 2HG LYS 23 -1.546 -1.454 -4.102 178 1HD LYS 23 1HD LYS 23 -1.603 -4.250 -3.693 179 2HD LYS 23 2HD LYS 23 -1.494 -3.982 -5.433 180 1HE LYS 23 1HE LYS 23 0.712 -4.151 -4.345 181 2HE LYS 23 2HE LYS 23 0.457 -2.593 -5.133 182 1HZ LYS 23 1HZ LYS 23 1.455 -2.622 -2.795 183 2HZ LYS 23 2HZ LYS 23 -0.116 -2.951 -2.259 184 3HZ LYS 23 3HZ LYS 23 0.208 -1.523 -3.107 185 H ILE 24 H ILE 24 -4.847 0.734 -2.487 186 HA ILE 24 HA ILE 24 -6.848 -0.398 -0.664 187 HB ILE 24 HB ILE 24 -7.140 2.369 -1.692 188 1HG1 ILE 24 1HG1 ILE 24 -5.595 2.700 0.605 189 2HG1 ILE 24 2HG1 ILE 24 -4.739 1.473 -0.323 190 1HG2 ILE 24 1HG2 ILE 24 -8.200 2.781 0.331 191 2HG2 ILE 24 2HG2 ILE 24 -7.397 1.434 1.135 192 3HG2 ILE 24 3HG2 ILE 24 -8.663 1.123 -0.053 193 1HD1 ILE 24 1HD1 ILE 24 -4.492 4.160 -0.659 194 2HD1 ILE 24 2HD1 ILE 24 -5.650 3.738 -1.919 195 3HD1 ILE 24 3HD1 ILE 24 -4.077 2.943 -1.865 196 H ILE 25 H ILE 25 -9.121 -0.340 -1.238 197 HA ILE 25 HA ILE 25 -9.580 -0.167 -4.144 198 HB ILE 25 HB ILE 25 -9.745 -2.510 -3.234 199 1HG1 ILE 25 1HG1 ILE 25 -11.930 -2.985 -4.338 200 2HG1 ILE 25 2HG1 ILE 25 -12.245 -1.254 -4.393 201 1HG2 ILE 25 1HG2 ILE 25 -11.083 -1.358 -1.160 202 2HG2 ILE 25 2HG2 ILE 25 -11.117 -3.074 -1.546 203 3HG2 ILE 25 3HG2 ILE 25 -12.410 -2.018 -2.112 204 1HD1 ILE 25 1HD1 ILE 25 -10.055 -1.127 -5.687 205 2HD1 ILE 25 2HD1 ILE 25 -11.475 -1.758 -6.508 206 3HD1 ILE 25 3HD1 ILE 25 -10.236 -2.861 -5.905 207 H VAL 26 H VAL 26 -11.498 0.804 -4.853 208 HA VAL 26 HA VAL 26 -13.097 2.107 -2.754 209 HB VAL 26 HB VAL 26 -13.433 4.026 -4.314 210 1HG1 VAL 26 1HG1 VAL 26 -11.120 4.972 -3.950 211 2HG1 VAL 26 2HG1 VAL 26 -10.676 3.395 -3.296 212 3HG1 VAL 26 3HG1 VAL 26 -11.936 4.351 -2.515 213 1HG2 VAL 26 1HG2 VAL 26 -12.785 2.822 -6.380 214 2HG2 VAL 26 2HG2 VAL 26 -11.113 2.828 -5.822 215 3HG2 VAL 26 3HG2 VAL 26 -11.931 4.350 -6.171 216 H ALA 27 H ALA 27 -15.181 1.593 -2.827 217 HA ALA 27 HA ALA 27 -16.309 0.751 -5.411 218 1HB ALA 27 1HB ALA 27 -16.668 -1.269 -4.575 219 2HB ALA 27 2HB ALA 27 -17.755 -0.553 -3.384 220 3HB ALA 27 3HB ALA 27 -16.047 -0.767 -3.003 221 H CYS 28 H CYS 28 -17.955 1.902 -6.060 222 HA CYS 28 HA CYS 28 -19.866 2.966 -4.126 223 1HB CYS 28 1HB CYS 28 -17.901 4.625 -4.866 224 2HB CYS 28 2HB CYS 28 -18.979 4.869 -6.238 225 HG CYS 28 HG CYS 28 -19.283 6.323 -3.778 226 H GLY 29 H GLY 29 -19.006 3.009 -7.586 227 1HA GLY 29 1HA GLY 29 -20.233 2.311 -9.413 228 2HA GLY 29 2HA GLY 29 -21.450 1.692 -8.309 229 H GLY 30 H GLY 30 -21.112 4.737 -7.271 230 1HA GLY 30 1HA GLY 30 -23.548 5.611 -8.417 231 2HA GLY 30 2HA GLY 30 -22.460 6.579 -7.433 232 H ALA 31 H ALA 31 -22.572 8.425 -8.660 233 HA ALA 31 HA ALA 31 -20.782 8.663 -10.807 234 1HB ALA 31 1HB ALA 31 -22.079 8.759 -12.713 235 2HB ALA 31 2HB ALA 31 -23.570 9.042 -11.815 236 3HB ALA 31 3HB ALA 31 -22.840 7.436 -11.832 237 H VAL 32 H VAL 32 -21.741 10.833 -12.161 238 HA VAL 32 HA VAL 32 -21.742 13.112 -11.972 239 HB VAL 32 HB VAL 32 -23.762 12.789 -9.769 240 1HG1 VAL 32 1HG1 VAL 32 -23.336 14.757 -12.005 241 2HG1 VAL 32 2HG1 VAL 32 -23.276 15.051 -10.266 242 3HG1 VAL 32 3HG1 VAL 32 -24.816 14.693 -11.049 243 1HG2 VAL 32 1HG2 VAL 32 -24.120 11.146 -11.712 244 2HG2 VAL 32 2HG2 VAL 32 -24.495 12.576 -12.673 245 3HG2 VAL 32 3HG2 VAL 32 -25.467 12.188 -11.253 246 H ALA 33 H ALA 33 -19.542 12.824 -10.972 247 HA ALA 33 HA ALA 33 -17.975 13.635 -9.538 248 1HB ALA 33 1HB ALA 33 -19.276 15.030 -7.535 249 2HB ALA 33 2HB ALA 33 -20.328 15.223 -8.936 250 3HB ALA 33 3HB ALA 33 -18.636 15.702 -9.034 251 H THR 34 H THR 34 -18.621 11.068 -9.145 252 HA THR 34 HA THR 34 -18.485 10.813 -6.222 253 HB THR 34 HB THR 34 -20.050 8.973 -8.042 254 HG1 THR 34 HG1 THR 34 -21.725 10.125 -7.559 255 1HG2 THR 34 1HG2 THR 34 -20.809 8.631 -5.375 256 2HG2 THR 34 2HG2 THR 34 -19.046 8.592 -5.392 257 3HG2 THR 34 3HG2 THR 34 -19.962 7.486 -6.416 258 H SER 35 H SER 35 -18.109 8.976 -9.255 259 HA SER 35 HA SER 35 -16.217 7.158 -8.167 260 1HB SER 35 1HB SER 35 -16.811 7.854 -11.052 261 2HB SER 35 2HB SER 35 -15.861 6.470 -10.516 262 HG SER 35 HG SER 35 -18.607 6.976 -10.026 263 H THR 36 H THR 36 -15.881 9.948 -10.348 264 HA THR 36 HA THR 36 -13.053 9.823 -10.468 265 HB THR 36 HB THR 36 -13.141 11.921 -11.590 266 HG1 THR 36 HG1 THR 36 -14.418 13.404 -10.893 267 1HG2 THR 36 1HG2 THR 36 -15.748 10.564 -12.226 268 2HG2 THR 36 2HG2 THR 36 -14.173 10.092 -12.863 269 3HG2 THR 36 3HG2 THR 36 -14.848 11.672 -13.261 270 H MET 37 H MET 37 -15.311 11.658 -8.453 271 HA MET 37 HA MET 37 -13.596 13.386 -7.184 272 1HB MET 37 1HB MET 37 -16.189 12.856 -6.893 273 2HB MET 37 2HB MET 37 -15.599 11.980 -5.488 274 1HG MET 37 1HG MET 37 -14.365 14.543 -5.543 275 2HG MET 37 2HG MET 37 -16.102 14.746 -5.763 276 1HE MET 37 1HE MET 37 -14.765 15.824 -2.574 277 2HE MET 37 2HE MET 37 -16.508 15.651 -2.371 278 3HE MET 37 3HE MET 37 -15.850 16.196 -3.913 279 H ALA 38 H ALA 38 -14.415 10.091 -6.070 280 HA ALA 38 HA ALA 38 -12.592 10.037 -3.935 281 1HB ALA 38 1HB ALA 38 -13.551 7.659 -5.521 282 2HB ALA 38 2HB ALA 38 -14.506 8.467 -4.278 283 3HB ALA 38 3HB ALA 38 -12.989 7.679 -3.849 284 H ALA 39 H ALA 39 -12.323 8.514 -7.146 285 HA ALA 39 HA ALA 39 -9.769 7.527 -6.990 286 1HB ALA 39 1HB ALA 39 -11.097 8.772 -9.394 287 2HB ALA 39 2HB ALA 39 -11.220 7.090 -8.881 288 3HB ALA 39 3HB ALA 39 -9.676 7.730 -9.442 289 H GLU 40 H GLU 40 -10.659 10.745 -8.245 290 HA GLU 40 HA GLU 40 -8.019 11.652 -8.572 291 1HB GLU 40 1HB GLU 40 -10.680 12.761 -8.796 292 2HB GLU 40 2HB GLU 40 -9.590 13.915 -8.042 293 1HG GLU 40 1HG GLU 40 -9.577 14.303 -10.386 294 2HG GLU 40 2HG GLU 40 -8.026 13.592 -9.941 295 H GLU 41 H GLU 41 -10.333 12.163 -5.910 296 HA GLU 41 HA GLU 41 -8.703 13.789 -4.334 297 1HB GLU 41 1HB GLU 41 -11.213 12.532 -4.033 298 2HB GLU 41 2HB GLU 41 -10.256 12.065 -2.641 299 1HG GLU 41 1HG GLU 41 -9.770 14.767 -2.885 300 2HG GLU 41 2HG GLU 41 -11.477 14.608 -3.294 301 H ILE 42 H ILE 42 -9.157 10.250 -4.070 302 HA ILE 42 HA ILE 42 -7.207 9.899 -2.074 303 HB ILE 42 HB ILE 42 -7.998 7.829 -4.118 304 1HG1 ILE 42 1HG1 ILE 42 -9.339 7.976 -1.465 305 2HG1 ILE 42 2HG1 ILE 42 -9.839 9.145 -2.682 306 1HG2 ILE 42 1HG2 ILE 42 -7.666 6.428 -1.922 307 2HG2 ILE 42 2HG2 ILE 42 -6.636 7.787 -1.472 308 3HG2 ILE 42 3HG2 ILE 42 -6.292 6.864 -2.936 309 1HD1 ILE 42 1HD1 ILE 42 -9.727 6.592 -3.903 310 2HD1 ILE 42 2HD1 ILE 42 -11.127 7.623 -3.617 311 3HD1 ILE 42 3HD1 ILE 42 -10.630 6.452 -2.393 312 H LYS 43 H LYS 43 -6.995 10.113 -5.551 313 HA LYS 43 HA LYS 43 -4.327 9.097 -5.737 314 1HB LYS 43 1HB LYS 43 -6.188 10.513 -7.611 315 2HB LYS 43 2HB LYS 43 -4.487 10.362 -8.028 316 1HG LYS 43 1HG LYS 43 -6.129 7.975 -7.262 317 2HG LYS 43 2HG LYS 43 -6.101 8.595 -8.914 318 1HD LYS 43 1HD LYS 43 -3.423 8.471 -8.165 319 2HD LYS 43 2HD LYS 43 -4.138 7.001 -7.500 320 1HE LYS 43 1HE LYS 43 -4.460 7.903 -10.358 321 2HE LYS 43 2HE LYS 43 -3.237 6.755 -9.814 322 1HZ LYS 43 1HZ LYS 43 -5.486 5.694 -8.803 323 2HZ LYS 43 2HZ LYS 43 -4.802 5.248 -10.284 324 3HZ LYS 43 3HZ LYS 43 -6.067 6.370 -10.241 325 H GLU 44 H GLU 44 -5.712 12.374 -6.003 326 HA GLU 44 HA GLU 44 -3.337 13.783 -6.244 327 1HB GLU 44 1HB GLU 44 -4.565 15.738 -5.469 328 2HB GLU 44 2HB GLU 44 -5.550 14.792 -6.576 329 1HG GLU 44 1HG GLU 44 -6.795 13.866 -4.727 330 2HG GLU 44 2HG GLU 44 -5.762 14.707 -3.575 331 H LEU 45 H LEU 45 -5.000 12.694 -3.315 332 HA LEU 45 HA LEU 45 -3.331 14.037 -1.478 333 1HB LEU 45 1HB LEU 45 -4.877 11.469 -1.109 334 2HB LEU 45 2HB LEU 45 -4.200 12.444 0.181 335 HG LEU 45 HG LEU 45 -6.307 13.442 -1.727 336 1HD1 LEU 45 1HD1 LEU 45 -7.908 13.091 0.071 337 2HD1 LEU 45 2HD1 LEU 45 -6.647 12.359 1.063 338 3HD1 LEU 45 3HD1 LEU 45 -7.172 11.565 -0.421 339 1HD2 LEU 45 1HD2 LEU 45 -6.400 15.354 -0.488 340 2HD2 LEU 45 2HD2 LEU 45 -4.683 14.974 -0.349 341 3HD2 LEU 45 3HD2 LEU 45 -5.784 14.573 0.968 342 H CYS 46 H CYS 46 -3.300 10.644 -2.571 343 HA CYS 46 HA CYS 46 -1.028 9.816 -1.208 344 1HB CYS 46 1HB CYS 46 -2.109 8.915 -3.883 345 2HB CYS 46 2HB CYS 46 -0.822 8.084 -3.016 346 HG CYS 46 HG CYS 46 -3.559 8.363 -1.603 347 H GLN 47 H GLN 47 -1.283 11.298 -4.425 348 HA GLN 47 HA GLN 47 1.531 11.191 -4.920 349 1HB GLN 47 1HB GLN 47 -0.369 11.319 -6.645 350 2HB GLN 47 2HB GLN 47 -0.399 13.042 -6.299 351 1HG GLN 47 1HG GLN 47 2.287 12.402 -6.755 352 2HG GLN 47 2HG GLN 47 1.366 11.552 -7.995 353 1HE2 GLN 47 1HE2 GLN 47 1.199 12.666 -9.790 354 2HE2 GLN 47 2HE2 GLN 47 1.055 14.383 -9.923 355 H SER 48 H SER 48 -0.719 13.721 -3.874 356 HA SER 48 HA SER 48 0.971 15.908 -3.878 357 1HB SER 48 1HB SER 48 -1.349 16.245 -3.416 358 2HB SER 48 2HB SER 48 -1.290 15.189 -2.006 359 HG SER 48 HG SER 48 0.490 17.247 -1.824 360 H HIS 49 H HIS 49 0.565 13.443 -1.369 361 HA HIS 49 HA HIS 49 2.637 14.669 0.261 362 1HB HIS 49 1HB HIS 49 0.498 12.712 0.671 363 2HB HIS 49 2HB HIS 49 2.003 12.283 1.479 364 HD1 HIS 49 HD1 HIS 49 2.403 13.322 3.686 365 HD2 HIS 49 HD2 HIS 49 -0.411 15.423 1.418 366 HE1 HIS 49 HE1 HIS 49 1.499 15.145 5.198 367 HE2 HIS 49 HE2 HIS 49 -0.260 16.330 3.838 368 H ASN 50 H ASN 50 2.682 12.738 -2.382 369 HA ASN 50 HA ASN 50 4.228 11.389 -3.349 370 1HB ASN 50 1HB ASN 50 6.041 12.245 -1.082 371 2HB ASN 50 2HB ASN 50 6.538 11.574 -2.633 372 1HD2 ASN 50 1HD2 ASN 50 7.280 14.089 -1.416 373 2HD2 ASN 50 2HD2 ASN 50 6.796 15.329 -2.518 374 H ILE 51 H ILE 51 2.442 10.001 -1.975 375 HA ILE 51 HA ILE 51 3.963 8.021 -0.407 376 HB ILE 51 HB ILE 51 0.964 8.229 -0.425 377 1HG1 ILE 51 1HG1 ILE 51 2.703 9.524 1.669 378 2HG1 ILE 51 2HG1 ILE 51 2.119 10.416 0.267 379 1HG2 ILE 51 1HG2 ILE 51 1.056 6.532 0.997 380 2HG2 ILE 51 2HG2 ILE 51 2.181 7.400 2.041 381 3HG2 ILE 51 3HG2 ILE 51 2.791 6.432 0.699 382 1HD1 ILE 51 1HD1 ILE 51 -0.149 9.204 1.269 383 2HD1 ILE 51 2HD1 ILE 51 0.328 10.890 1.481 384 3HD1 ILE 51 3HD1 ILE 51 0.750 9.693 2.705 385 HA PRO 52 HA PRO 52 3.270 5.894 -4.450 386 1HB PRO 52 1HB PRO 52 5.113 4.038 -3.025 387 2HB PRO 52 2HB PRO 52 5.159 4.609 -4.697 388 1HG PRO 52 1HG PRO 52 6.843 5.588 -2.881 389 2HG PRO 52 2HG PRO 52 6.124 6.634 -4.119 390 1HD PRO 52 1HD PRO 52 5.456 6.393 -1.220 391 2HD PRO 52 2HD PRO 52 5.442 7.826 -2.269 392 H VAL 53 H VAL 53 1.399 4.891 -4.552 393 HA VAL 53 HA VAL 53 0.982 2.394 -3.186 394 HB VAL 53 HB VAL 53 -1.314 3.147 -2.349 395 1HG1 VAL 53 1HG1 VAL 53 -0.468 3.249 -0.265 396 2HG1 VAL 53 2HG1 VAL 53 0.667 4.536 -0.671 397 3HG1 VAL 53 3HG1 VAL 53 1.046 2.864 -1.083 398 1HG2 VAL 53 1HG2 VAL 53 -0.141 5.729 -3.151 399 2HG2 VAL 53 2HG2 VAL 53 -0.941 5.704 -1.580 400 3HG2 VAL 53 3HG2 VAL 53 -1.829 5.233 -3.028 401 H GLU 54 H GLU 54 -1.137 1.404 -3.881 402 HA GLU 54 HA GLU 54 -1.912 2.424 -6.537 403 1HB GLU 54 1HB GLU 54 -1.887 -0.505 -5.888 404 2HB GLU 54 2HB GLU 54 -1.913 0.267 -7.464 405 1HG GLU 54 1HG GLU 54 0.465 1.033 -6.071 406 2HG GLU 54 2HG GLU 54 0.296 -0.721 -6.034 407 H LEU 55 H LEU 55 -3.971 3.051 -6.516 408 HA LEU 55 HA LEU 55 -5.813 1.731 -4.655 409 1HB LEU 55 1HB LEU 55 -5.650 4.133 -4.358 410 2HB LEU 55 2HB LEU 55 -6.018 4.397 -6.054 411 HG LEU 55 HG LEU 55 -8.128 2.846 -4.915 412 1HD1 LEU 55 1HD1 LEU 55 -7.034 4.904 -3.140 413 2HD1 LEU 55 2HD1 LEU 55 -8.102 3.545 -2.789 414 3HD1 LEU 55 3HD1 LEU 55 -8.766 5.039 -3.448 415 1HD2 LEU 55 1HD2 LEU 55 -7.730 5.289 -6.449 416 2HD2 LEU 55 2HD2 LEU 55 -9.124 5.368 -5.373 417 3HD2 LEU 55 3HD2 LEU 55 -8.999 4.071 -6.561 418 H ILE 56 H ILE 56 -7.326 0.454 -5.367 419 HA ILE 56 HA ILE 56 -7.877 0.330 -8.248 420 HB ILE 56 HB ILE 56 -9.131 -1.865 -7.344 421 1HG1 ILE 56 1HG1 ILE 56 -6.753 -1.600 -5.491 422 2HG1 ILE 56 2HG1 ILE 56 -8.424 -1.388 -4.986 423 1HG2 ILE 56 1HG2 ILE 56 -6.528 -2.774 -7.616 424 2HG2 ILE 56 2HG2 ILE 56 -6.586 -1.283 -8.557 425 3HG2 ILE 56 3HG2 ILE 56 -7.730 -2.582 -8.892 426 1HD1 ILE 56 1HD1 ILE 56 -8.336 -3.860 -6.290 427 2HD1 ILE 56 2HD1 ILE 56 -8.502 -3.554 -4.560 428 3HD1 ILE 56 3HD1 ILE 56 -6.902 -3.793 -5.264 429 H GLN 57 H GLN 57 -10.053 0.176 -9.010 430 HA GLN 57 HA GLN 57 -12.082 1.071 -7.074 431 1HB GLN 57 1HB GLN 57 -11.484 3.004 -8.386 432 2HB GLN 57 2HB GLN 57 -11.636 2.092 -9.881 433 1HG GLN 57 1HG GLN 57 -13.851 2.363 -9.968 434 2HG GLN 57 2HG GLN 57 -14.051 2.087 -8.239 435 1HE2 GLN 57 1HE2 GLN 57 -15.532 3.975 -9.523 436 2HE2 GLN 57 2HE2 GLN 57 -15.041 5.551 -9.014 437 H CYS 58 H CYS 58 -13.802 -0.238 -6.994 438 HA CYS 58 HA CYS 58 -14.776 -1.568 -9.370 439 1HB CYS 58 1HB CYS 58 -14.013 -3.235 -6.971 440 2HB CYS 58 2HB CYS 58 -14.632 -3.785 -8.521 441 HG CYS 58 HG CYS 58 -12.057 -4.167 -8.446 442 H ARG 59 H ARG 59 -16.818 -2.894 -8.797 443 HA ARG 59 HA ARG 59 -18.582 -1.201 -7.356 444 1HB ARG 59 1HB ARG 59 -18.986 -3.931 -8.568 445 2HB ARG 59 2HB ARG 59 -20.275 -2.945 -7.912 446 1HG ARG 59 1HG ARG 59 -20.506 -2.301 -10.046 447 2HG ARG 59 2HG ARG 59 -19.192 -1.194 -9.635 448 1HD ARG 59 1HD ARG 59 -18.116 -2.101 -11.372 449 2HD ARG 59 2HD ARG 59 -17.843 -3.477 -10.308 450 HE ARG 59 HE ARG 59 -19.672 -3.338 -12.545 451 1HH1 ARG 59 1HH1 ARG 59 -18.792 -5.036 -9.635 452 2HH1 ARG 59 2HH1 ARG 59 -19.467 -6.541 -10.149 453 1HH2 ARG 59 1HH2 ARG 59 -20.569 -5.325 -13.226 454 2HH2 ARG 59 2HH2 ARG 59 -20.476 -6.705 -12.183 455 H VAL 60 H VAL 60 -20.342 -3.013 -6.207 456 HA VAL 60 HA VAL 60 -19.154 -3.353 -3.641 457 HB VAL 60 HB VAL 60 -21.871 -4.273 -4.591 458 1HG1 VAL 60 1HG1 VAL 60 -22.496 -4.200 -2.235 459 2HG1 VAL 60 2HG1 VAL 60 -20.851 -3.735 -1.805 460 3HG1 VAL 60 3HG1 VAL 60 -21.165 -5.325 -2.500 461 1HG2 VAL 60 1HG2 VAL 60 -22.596 -2.132 -3.394 462 2HG2 VAL 60 2HG2 VAL 60 -21.856 -1.970 -4.986 463 3HG2 VAL 60 3HG2 VAL 60 -20.911 -1.636 -3.536 464 H ASN 61 H ASN 61 -19.394 -5.373 -6.387 465 HA ASN 61 HA ASN 61 -18.573 -7.658 -4.733 466 1HB ASN 61 1HB ASN 61 -19.844 -9.142 -6.341 467 2HB ASN 61 2HB ASN 61 -20.834 -8.172 -5.255 468 1HD2 ASN 61 1HD2 ASN 61 -20.766 -9.292 -8.235 469 2HD2 ASN 61 2HD2 ASN 61 -21.562 -8.020 -9.090 470 H GLU 62 H GLU 62 -16.543 -6.469 -5.599 471 HA GLU 62 HA GLU 62 -15.636 -7.991 -7.934 472 1HB GLU 62 1HB GLU 62 -15.412 -5.015 -7.593 473 2HB GLU 62 2HB GLU 62 -14.450 -5.923 -8.748 474 1HG GLU 62 1HG GLU 62 -16.951 -6.752 -9.375 475 2HG GLU 62 2HG GLU 62 -17.253 -5.099 -8.841 476 H ILE 63 H ILE 63 -14.857 -6.012 -5.140 477 HA ILE 63 HA ILE 63 -12.076 -6.239 -5.168 478 HB ILE 63 HB ILE 63 -13.612 -6.286 -2.587 479 1HG1 ILE 63 1HG1 ILE 63 -13.073 -3.602 -3.546 480 2HG1 ILE 63 2HG1 ILE 63 -14.180 -4.442 -4.617 481 1HG2 ILE 63 1HG2 ILE 63 -11.741 -5.420 -1.656 482 2HG2 ILE 63 2HG2 ILE 63 -11.315 -4.501 -3.102 483 3HG2 ILE 63 3HG2 ILE 63 -10.989 -6.232 -3.030 484 1HD1 ILE 63 1HD1 ILE 63 -15.789 -3.834 -3.222 485 2HD1 ILE 63 2HD1 ILE 63 -14.622 -3.299 -2.011 486 3HD1 ILE 63 3HD1 ILE 63 -15.121 -4.990 -2.069 487 H GLU 64 H GLU 64 -14.509 -8.280 -3.624 488 HA GLU 64 HA GLU 64 -12.940 -10.090 -2.284 489 1HB GLU 64 1HB GLU 64 -15.635 -10.081 -3.429 490 2HB GLU 64 2HB GLU 64 -14.938 -11.690 -3.297 491 1HG GLU 64 1HG GLU 64 -15.415 -11.736 -1.143 492 2HG GLU 64 2HG GLU 64 -14.411 -10.313 -0.879 493 H THR 65 H THR 65 -13.874 -10.166 -5.694 494 HA THR 65 HA THR 65 -12.401 -12.579 -6.228 495 HB THR 65 HB THR 65 -12.985 -11.277 -8.656 496 HG1 THR 65 HG1 THR 65 -14.364 -9.844 -7.811 497 1HG2 THR 65 1HG2 THR 65 -14.130 -13.138 -9.127 498 2HG2 THR 65 2HG2 THR 65 -15.050 -13.085 -7.622 499 3HG2 THR 65 3HG2 THR 65 -13.409 -13.735 -7.632 500 H TYR 66 H TYR 66 -11.915 -9.117 -6.748 501 HA TYR 66 HA TYR 66 -9.419 -9.548 -8.150 502 1HB TYR 66 1HB TYR 66 -10.814 -7.019 -7.245 503 2HB TYR 66 2HB TYR 66 -9.329 -7.055 -8.184 504 HD1 TYR 66 HD1 TYR 66 -10.147 -5.870 -10.077 505 HD2 TYR 66 HD2 TYR 66 -12.181 -9.361 -8.744 506 HE1 TYR 66 HE1 TYR 66 -11.463 -5.897 -12.150 507 HE2 TYR 66 HE2 TYR 66 -13.493 -9.396 -10.806 508 HH TYR 66 HH TYR 66 -12.730 -7.892 -13.506 509 H MET 67 H MET 67 -10.045 -10.105 -5.128 510 HA MET 67 HA MET 67 -8.305 -8.410 -3.658 511 1HB MET 67 1HB MET 67 -10.250 -10.230 -3.030 512 2HB MET 67 2HB MET 67 -8.793 -11.099 -2.575 513 1HG MET 67 1HG MET 67 -9.234 -8.288 -1.666 514 2HG MET 67 2HG MET 67 -9.997 -9.637 -0.828 515 1HE MET 67 1HE MET 67 -7.365 -11.991 -0.294 516 2HE MET 67 2HE MET 67 -9.019 -11.487 0.052 517 3HE MET 67 3HE MET 67 -7.748 -11.223 1.246 518 H ASP 68 H ASP 68 -6.806 -9.180 -5.830 519 HA ASP 68 HA ASP 68 -5.202 -11.460 -5.430 520 1HB ASP 68 1HB ASP 68 -3.668 -10.415 -7.063 521 2HB ASP 68 2HB ASP 68 -5.343 -10.371 -7.607 522 H GLY 69 H GLY 69 -4.768 -8.063 -4.522 523 1HA GLY 69 1HA GLY 69 -3.127 -8.781 -2.289 524 2HA GLY 69 2HA GLY 69 -2.183 -8.080 -3.595 525 H VAL 70 H VAL 70 -5.069 -7.469 -1.617 526 HA VAL 70 HA VAL 70 -4.601 -4.589 -1.928 527 HB VAL 70 HB VAL 70 -6.916 -4.405 -0.873 528 1HG1 VAL 70 1HG1 VAL 70 -6.696 -3.918 -3.170 529 2HG1 VAL 70 2HG1 VAL 70 -8.043 -5.049 -3.051 530 3HG1 VAL 70 3HG1 VAL 70 -6.462 -5.614 -3.588 531 1HG2 VAL 70 1HG2 VAL 70 -7.565 -7.108 -1.843 532 2HG2 VAL 70 2HG2 VAL 70 -8.191 -6.216 -0.456 533 3HG2 VAL 70 3HG2 VAL 70 -6.637 -7.042 -0.344 534 H HIS 71 H HIS 71 -3.934 -3.395 -0.273 535 HA HIS 71 HA HIS 71 -3.482 -4.707 2.291 536 1HB HIS 71 1HB HIS 71 -1.725 -3.342 1.009 537 2HB HIS 71 2HB HIS 71 -2.616 -1.922 1.542 538 HD1 HIS 71 HD1 HIS 71 0.050 -4.156 2.516 539 HD2 HIS 71 HD2 HIS 71 -2.770 -1.793 4.501 540 HE1 HIS 71 HE1 HIS 71 0.922 -3.854 4.878 541 HE2 HIS 71 HE2 HIS 71 -0.820 -2.470 6.062 542 H LEU 72 H LEU 72 -5.710 -2.565 0.855 543 HA LEU 72 HA LEU 72 -7.097 -2.217 3.357 544 1HB LEU 72 1HB LEU 72 -5.568 -0.025 2.099 545 2HB LEU 72 2HB LEU 72 -7.200 0.374 2.591 546 HG LEU 72 HG LEU 72 -5.361 -0.943 4.545 547 1HD1 LEU 72 1HD1 LEU 72 -4.699 1.443 3.254 548 2HD1 LEU 72 2HD1 LEU 72 -4.012 0.811 4.750 549 3HD1 LEU 72 3HD1 LEU 72 -5.376 1.925 4.809 550 1HD2 LEU 72 1HD2 LEU 72 -7.058 -0.561 5.927 551 2HD2 LEU 72 2HD2 LEU 72 -7.995 0.069 4.573 552 3HD2 LEU 72 3HD2 LEU 72 -7.017 1.161 5.552 553 H ILE 73 H ILE 73 -9.275 -1.588 3.086 554 HA ILE 73 HA ILE 73 -10.158 -1.399 0.293 555 HB ILE 73 HB ILE 73 -11.323 -3.130 2.464 556 1HG1 ILE 73 1HG1 ILE 73 -11.166 -4.766 0.463 557 2HG1 ILE 73 2HG1 ILE 73 -10.089 -3.561 -0.232 558 1HG2 ILE 73 1HG2 ILE 73 -13.339 -2.534 1.650 559 2HG2 ILE 73 2HG2 ILE 73 -12.913 -3.607 0.315 560 3HG2 ILE 73 3HG2 ILE 73 -12.656 -1.868 0.166 561 1HD1 ILE 73 1HD1 ILE 73 -8.400 -4.103 1.121 562 2HD1 ILE 73 2HD1 ILE 73 -9.294 -5.604 1.348 563 3HD1 ILE 73 3HD1 ILE 73 -9.450 -4.300 2.524 564 H CYS 74 H CYS 74 -11.671 0.097 -0.160 565 HA CYS 74 HA CYS 74 -12.948 1.465 2.106 566 1HB CYS 74 1HB CYS 74 -11.779 2.736 -0.376 567 2HB CYS 74 2HB CYS 74 -12.737 3.590 0.830 568 HG CYS 74 HG CYS 74 -10.511 4.060 1.774 569 H THR 75 H THR 75 -14.990 0.735 1.938 570 HA THR 75 HA THR 75 -16.343 1.123 -0.652 571 HB THR 75 HB THR 75 -16.917 -1.061 1.361 572 HG1 THR 75 HG1 THR 75 -14.998 -1.005 -0.351 573 1HG2 THR 75 1HG2 THR 75 -18.235 -2.017 -0.562 574 2HG2 THR 75 2HG2 THR 75 -18.134 -0.420 -1.303 575 3HG2 THR 75 3HG2 THR 75 -18.941 -0.621 0.252 576 H THR 76 H THR 76 -18.440 1.925 -0.612 577 HA THR 76 HA THR 76 -19.195 3.208 1.918 578 HB THR 76 HB THR 76 -20.837 4.280 -0.031 579 HG1 THR 76 HG1 THR 76 -19.607 3.236 -1.651 580 1HG2 THR 76 1HG2 THR 76 -18.654 5.169 1.578 581 2HG2 THR 76 2HG2 THR 76 -20.009 6.088 0.922 582 3HG2 THR 76 3HG2 THR 76 -18.539 5.882 -0.032 583 H ALA 77 H ALA 77 -19.882 0.807 2.322 584 HA ALA 77 HA ALA 77 -22.763 0.765 2.083 585 1HB ALA 77 1HB ALA 77 -21.324 -1.673 1.096 586 2HB ALA 77 2HB ALA 77 -21.768 -0.363 0.002 587 3HB ALA 77 3HB ALA 77 -23.018 -1.226 0.897 588 H ARG 78 H ARG 78 -23.755 -0.424 3.675 589 HA ARG 78 HA ARG 78 -22.186 -1.045 5.975 590 1HB ARG 78 1HB ARG 78 -25.110 -1.537 5.386 591 2HB ARG 78 2HB ARG 78 -24.356 -1.739 6.961 592 1HG ARG 78 1HG ARG 78 -23.625 0.806 6.337 593 2HG ARG 78 2HG ARG 78 -25.212 0.693 5.573 594 1HD ARG 78 1HD ARG 78 -25.343 1.534 7.875 595 2HD ARG 78 2HD ARG 78 -26.211 0.014 7.671 596 HE ARG 78 HE ARG 78 -23.921 -0.910 8.575 597 1HH1 ARG 78 1HH1 ARG 78 -25.679 1.910 9.659 598 2HH1 ARG 78 2HH1 ARG 78 -25.109 1.784 11.288 599 1HH2 ARG 78 1HH2 ARG 78 -23.184 -1.074 10.718 600 2HH2 ARG 78 2HH2 ARG 78 -23.697 0.093 11.890 601 H VAL 79 H VAL 79 -20.781 -2.668 4.994 602 HA VAL 79 HA VAL 79 -21.953 -5.220 4.290 603 HB VAL 79 HB VAL 79 -19.671 -5.961 3.864 604 1HG1 VAL 79 1HG1 VAL 79 -19.192 -3.547 2.496 605 2HG1 VAL 79 2HG1 VAL 79 -20.943 -3.731 2.598 606 3HG1 VAL 79 3HG1 VAL 79 -19.964 -5.009 1.880 607 1HG2 VAL 79 1HG2 VAL 79 -18.609 -4.775 5.749 608 2HG2 VAL 79 2HG2 VAL 79 -18.797 -3.257 4.871 609 3HG2 VAL 79 3HG2 VAL 79 -17.761 -4.527 4.224 610 H ASP 80 H ASP 80 -20.288 -7.104 5.292 611 HA ASP 80 HA ASP 80 -20.958 -7.048 8.139 612 1HB ASP 80 1HB ASP 80 -20.219 -9.315 6.285 613 2HB ASP 80 2HB ASP 80 -20.503 -9.513 8.011 614 H ARG 81 H ARG 81 -18.265 -6.695 6.115 615 HA ARG 81 HA ARG 81 -15.992 -6.988 6.404 616 1HB ARG 81 1HB ARG 81 -15.136 -5.510 8.158 617 2HB ARG 81 2HB ARG 81 -16.450 -4.760 7.266 618 1HG ARG 81 1HG ARG 81 -17.525 -4.373 9.158 619 2HG ARG 81 2HG ARG 81 -17.563 -6.100 9.508 620 1HD ARG 81 1HD ARG 81 -16.518 -4.882 11.330 621 2HD ARG 81 2HD ARG 81 -15.352 -5.942 10.544 622 HE ARG 81 HE ARG 81 -14.555 -3.900 9.360 623 1HH1 ARG 81 1HH1 ARG 81 -16.200 -3.608 12.438 624 2HH1 ARG 81 2HH1 ARG 81 -15.451 -2.097 12.827 625 1HH2 ARG 81 1HH2 ARG 81 -13.578 -1.917 9.886 626 2HH2 ARG 81 2HH2 ARG 81 -13.968 -1.139 11.384 627 H SER 82 H SER 82 -17.044 -9.384 7.114 628 HA SER 82 HA SER 82 -15.393 -10.126 9.432 629 1HB SER 82 1HB SER 82 -18.257 -10.689 8.929 630 2HB SER 82 2HB SER 82 -17.299 -12.046 9.520 631 HG SER 82 HG SER 82 -16.545 -10.221 11.083 632 H PHE 83 H PHE 83 -15.846 -10.451 6.180 633 HA PHE 83 HA PHE 83 -15.254 -13.259 5.924 634 1HB PHE 83 1HB PHE 83 -14.910 -12.590 3.464 635 2HB PHE 83 2HB PHE 83 -16.529 -12.421 4.134 636 HD1 PHE 83 HD1 PHE 83 -13.624 -10.678 2.807 637 HD2 PHE 83 HD2 PHE 83 -17.452 -10.210 4.606 638 HE1 PHE 83 HE1 PHE 83 -13.659 -8.315 2.117 639 HE2 PHE 83 HE2 PHE 83 -17.492 -7.848 3.920 640 HZ PHE 83 HZ PHE 83 -15.592 -6.899 2.673 641 H GLY 84 H GLY 84 -13.308 -13.859 6.689 642 1HA GLY 84 1HA GLY 84 -11.022 -14.168 6.616 643 2HA GLY 84 2HA GLY 84 -10.959 -13.043 5.267 644 H ASP 85 H ASP 85 -10.270 -11.000 5.609 645 HA ASP 85 HA ASP 85 -10.362 -9.737 8.166 646 1HB ASP 85 1HB ASP 85 -7.771 -9.486 8.199 647 2HB ASP 85 2HB ASP 85 -8.495 -10.958 8.839 648 H ILE 86 H ILE 86 -11.084 -9.268 5.373 649 HA ILE 86 HA ILE 86 -9.388 -7.444 4.109 650 HB ILE 86 HB ILE 86 -12.371 -7.841 3.984 651 1HG1 ILE 86 1HG1 ILE 86 -10.709 -9.568 3.111 652 2HG1 ILE 86 2HG1 ILE 86 -11.935 -9.019 1.975 653 1HG2 ILE 86 1HG2 ILE 86 -10.890 -5.571 3.031 654 2HG2 ILE 86 2HG2 ILE 86 -12.622 -5.883 2.970 655 3HG2 ILE 86 3HG2 ILE 86 -11.576 -6.467 1.677 656 1HD1 ILE 86 1HD1 ILE 86 -10.403 -8.255 0.564 657 2HD1 ILE 86 2HD1 ILE 86 -9.217 -9.117 1.544 658 3HD1 ILE 86 3HD1 ILE 86 -9.535 -7.407 1.844 659 HA PRO 87 HA PRO 87 -9.943 -4.204 7.270 660 1HB PRO 87 1HB PRO 87 -7.898 -2.653 6.388 661 2HB PRO 87 2HB PRO 87 -7.645 -4.075 7.410 662 1HG PRO 87 1HG PRO 87 -7.407 -3.827 4.429 663 2HG PRO 87 2HG PRO 87 -6.294 -4.601 5.575 664 1HD PRO 87 1HD PRO 87 -8.042 -6.041 4.128 665 2HD PRO 87 2HD PRO 87 -7.632 -6.475 5.798 666 H LEU 88 H LEU 88 -11.985 -3.799 6.048 667 HA LEU 88 HA LEU 88 -11.757 -1.713 4.019 668 1HB LEU 88 1HB LEU 88 -14.102 -2.159 3.549 669 2HB LEU 88 2HB LEU 88 -13.148 -3.630 3.482 670 HG LEU 88 HG LEU 88 -13.990 -3.678 6.068 671 1HD1 LEU 88 1HD1 LEU 88 -16.612 -3.240 5.242 672 2HD1 LEU 88 2HD1 LEU 88 -15.711 -1.835 4.675 673 3HD1 LEU 88 3HD1 LEU 88 -15.678 -2.276 6.383 674 1HD2 LEU 88 1HD2 LEU 88 -14.189 -5.267 3.899 675 2HD2 LEU 88 2HD2 LEU 88 -15.882 -4.842 4.138 676 3HD2 LEU 88 3HD2 LEU 88 -14.972 -5.603 5.442 677 H VAL 89 H VAL 89 -13.148 0.179 4.120 678 HA VAL 89 HA VAL 89 -14.070 0.908 6.811 679 HB VAL 89 HB VAL 89 -12.606 2.946 5.168 680 1HG1 VAL 89 1HG1 VAL 89 -12.381 2.992 8.075 681 2HG1 VAL 89 2HG1 VAL 89 -14.044 3.090 7.499 682 3HG1 VAL 89 3HG1 VAL 89 -12.852 4.267 6.953 683 1HG2 VAL 89 1HG2 VAL 89 -10.734 2.264 7.000 684 2HG2 VAL 89 2HG2 VAL 89 -10.745 1.689 5.333 685 3HG2 VAL 89 3HG2 VAL 89 -11.412 0.683 6.618 686 H HIS 90 H HIS 90 -15.704 2.512 6.862 687 HA HIS 90 HA HIS 90 -17.323 2.596 4.470 688 1HB HIS 90 1HB HIS 90 -17.791 3.760 7.224 689 2HB HIS 90 2HB HIS 90 -18.974 3.746 5.921 690 HD1 HIS 90 HD1 HIS 90 -18.570 2.133 8.906 691 HD2 HIS 90 HD2 HIS 90 -18.958 0.689 5.002 692 HE1 HIS 90 HE1 HIS 90 -19.389 -0.258 9.117 693 HE2 HIS 90 HE2 HIS 90 -19.685 -1.074 6.751 694 H GLY 91 H GLY 91 -18.003 4.480 3.396 695 1HA GLY 91 1HA GLY 91 -16.249 6.814 3.833 696 2HA GLY 91 2HA GLY 91 -16.791 6.288 2.247 697 H MET 92 H MET 92 -18.983 6.247 4.945 698 HA MET 92 HA MET 92 -20.960 7.757 3.693 699 1HB MET 92 1HB MET 92 -20.815 6.299 5.991 700 2HB MET 92 2HB MET 92 -20.881 7.930 6.640 701 1HG MET 92 1HG MET 92 -23.007 8.291 5.912 702 2HG MET 92 2HG MET 92 -22.852 7.177 4.554 703 1HE MET 92 1HE MET 92 -23.597 7.500 8.440 704 2HE MET 92 2HE MET 92 -22.017 6.722 8.332 705 3HE MET 92 3HE MET 92 -23.408 5.817 8.930 706 HA PRO 93 HA PRO 93 -19.423 11.563 6.278 707 1HB PRO 93 1HB PRO 93 -16.944 11.402 7.361 708 2HB PRO 93 2HB PRO 93 -18.403 10.879 8.211 709 1HG PRO 93 1HG PRO 93 -16.405 9.236 6.698 710 2HG PRO 93 2HG PRO 93 -17.140 8.917 8.280 711 1HD PRO 93 1HD PRO 93 -17.991 7.731 6.020 712 2HD PRO 93 2HD PRO 93 -19.101 8.148 7.340 713 H PHE 94 H PHE 94 -16.945 9.742 4.498 714 HA PHE 94 HA PHE 94 -15.460 11.991 3.638 715 1HB PHE 94 1HB PHE 94 -15.261 9.208 3.377 716 2HB PHE 94 2HB PHE 94 -15.389 9.809 1.728 717 HD1 PHE 94 HD1 PHE 94 -13.784 11.453 4.639 718 HD2 PHE 94 HD2 PHE 94 -13.219 9.503 0.895 719 HE1 PHE 94 HE1 PHE 94 -11.398 12.040 4.698 720 HE2 PHE 94 HE2 PHE 94 -10.831 10.086 0.951 721 HZ PHE 94 HZ PHE 94 -9.919 11.356 2.857 722 H VAL 95 H VAL 95 -18.238 10.308 2.281 723 HA VAL 95 HA VAL 95 -18.184 11.747 -0.193 724 HB VAL 95 HB VAL 95 -19.146 9.483 0.031 725 1HG1 VAL 95 1HG1 VAL 95 -21.559 9.415 0.861 726 2HG1 VAL 95 2HG1 VAL 95 -21.192 10.935 1.676 727 3HG1 VAL 95 3HG1 VAL 95 -20.282 9.478 2.074 728 1HG2 VAL 95 1HG2 VAL 95 -19.842 11.393 -1.672 729 2HG2 VAL 95 2HG2 VAL 95 -21.409 11.152 -0.901 730 3HG2 VAL 95 3HG2 VAL 95 -20.597 9.800 -1.688 731 H SER 96 H SER 96 -19.484 12.398 2.928 732 HA SER 96 HA SER 96 -21.658 14.030 2.272 733 1HB SER 96 1HB SER 96 -19.873 14.573 4.637 734 2HB SER 96 2HB SER 96 -21.619 14.782 4.504 735 HG SER 96 HG SER 96 -20.165 12.356 4.647 736 H GLY 97 H GLY 97 -18.241 14.625 2.128 737 1HA GLY 97 1HA GLY 97 -17.173 16.352 0.989 738 2HA GLY 97 2HA GLY 97 -18.729 17.142 0.783 739 H VAL 98 H VAL 98 -18.658 16.462 3.966 740 HA VAL 98 HA VAL 98 -17.379 19.037 4.618 741 HB VAL 98 HB VAL 98 -19.640 17.727 6.130 742 1HG1 VAL 98 1HG1 VAL 98 -17.974 19.389 7.237 743 2HG1 VAL 98 2HG1 VAL 98 -19.706 19.598 7.486 744 3HG1 VAL 98 3HG1 VAL 98 -18.856 20.606 6.314 745 1HG2 VAL 98 1HG2 VAL 98 -21.180 18.869 4.926 746 2HG2 VAL 98 2HG2 VAL 98 -19.948 18.748 3.670 747 3HG2 VAL 98 3HG2 VAL 98 -20.097 20.227 4.622 748 H GLY 99 H GLY 99 -17.595 15.653 5.378 749 1HA GLY 99 1HA GLY 99 -15.928 16.036 7.765 750 2HA GLY 99 2HA GLY 99 -16.803 14.572 7.354 751 H ILE 100 H ILE 100 -15.160 15.934 4.702 752 HA ILE 100 HA ILE 100 -13.419 13.684 4.511 753 HB ILE 100 HB ILE 100 -13.146 16.202 2.891 754 1HG1 ILE 100 1HG1 ILE 100 -15.002 13.878 2.347 755 2HG1 ILE 100 2HG1 ILE 100 -15.519 15.470 2.887 756 1HG2 ILE 100 1HG2 ILE 100 -12.262 14.715 1.208 757 2HG2 ILE 100 2HG2 ILE 100 -12.600 13.316 2.224 758 3HG2 ILE 100 3HG2 ILE 100 -11.384 14.493 2.719 759 1HD1 ILE 100 1HD1 ILE 100 -14.893 16.471 0.852 760 2HD1 ILE 100 2HD1 ILE 100 -15.745 14.986 0.425 761 3HD1 ILE 100 3HD1 ILE 100 -13.983 15.048 0.344 762 H GLU 101 H GLU 101 -12.825 17.160 5.022 763 HA GLU 101 HA GLU 101 -10.064 17.077 5.196 764 1HB GLU 101 1HB GLU 101 -12.105 18.875 6.477 765 2HB GLU 101 2HB GLU 101 -10.384 19.106 6.753 766 1HG GLU 101 1HG GLU 101 -10.146 20.153 4.820 767 2HG GLU 101 2HG GLU 101 -10.903 18.821 3.947 768 H ALA 102 H ALA 102 -12.377 16.930 7.909 769 HA ALA 102 HA ALA 102 -10.501 16.518 9.929 770 1HB ALA 102 1HB ALA 102 -12.481 16.959 10.903 771 2HB ALA 102 2HB ALA 102 -12.653 15.204 10.903 772 3HB ALA 102 3HB ALA 102 -13.406 16.164 9.630 773 H LEU 103 H LEU 103 -12.219 14.178 7.898 774 HA LEU 103 HA LEU 103 -11.166 11.871 9.180 775 1HB LEU 103 1HB LEU 103 -12.926 12.449 6.991 776 2HB LEU 103 2HB LEU 103 -11.762 11.246 6.486 777 HG LEU 103 HG LEU 103 -12.451 9.730 8.194 778 1HD1 LEU 103 1HD1 LEU 103 -12.788 11.565 9.917 779 2HD1 LEU 103 2HD1 LEU 103 -13.931 10.225 9.954 780 3HD1 LEU 103 3HD1 LEU 103 -14.402 11.763 9.235 781 1HD2 LEU 103 1HD2 LEU 103 -14.008 9.241 6.658 782 2HD2 LEU 103 2HD2 LEU 103 -14.424 10.939 6.407 783 3HD2 LEU 103 3HD2 LEU 103 -15.118 10.053 7.762 784 H GLN 104 H GLN 104 -10.247 13.629 6.231 785 HA GLN 104 HA GLN 104 -8.224 11.978 5.335 786 1HB GLN 104 1HB GLN 104 -9.197 14.081 4.262 787 2HB GLN 104 2HB GLN 104 -8.064 14.984 5.256 788 1HG GLN 104 1HG GLN 104 -6.365 13.249 4.151 789 2HG GLN 104 2HG GLN 104 -7.592 13.297 2.881 790 1HE2 GLN 104 1HE2 GLN 104 -8.365 15.674 2.489 791 2HE2 GLN 104 2HE2 GLN 104 -7.086 16.811 2.253 792 H ASN 105 H ASN 105 -7.933 14.752 7.547 793 HA ASN 105 HA ASN 105 -5.207 14.523 8.058 794 1HB ASN 105 1HB ASN 105 -7.399 16.063 9.025 795 2HB ASN 105 2HB ASN 105 -6.523 15.443 10.421 796 1HD2 ASN 105 1HD2 ASN 105 -5.467 17.193 11.111 797 2HD2 ASN 105 2HD2 ASN 105 -4.353 18.113 10.165 798 H LYS 106 H LYS 106 -7.955 12.918 9.596 799 HA LYS 106 HA LYS 106 -6.377 11.738 11.672 800 1HB LYS 106 1HB LYS 106 -9.176 11.908 10.963 801 2HB LYS 106 2HB LYS 106 -8.747 10.266 11.422 802 1HG LYS 106 1HG LYS 106 -7.851 11.079 13.536 803 2HG LYS 106 2HG LYS 106 -8.254 12.735 13.074 804 1HD LYS 106 1HD LYS 106 -10.625 11.337 12.720 805 2HD LYS 106 2HD LYS 106 -9.941 10.652 14.195 806 1HE LYS 106 1HE LYS 106 -9.911 12.734 15.279 807 2HE LYS 106 2HE LYS 106 -10.116 13.619 13.768 808 1HZ LYS 106 1HZ LYS 106 -12.330 12.058 13.882 809 2HZ LYS 106 2HZ LYS 106 -12.258 13.687 14.331 810 3HZ LYS 106 3HZ LYS 106 -12.099 12.479 15.505 811 H ILE 107 H ILE 107 -7.793 10.586 8.637 812 HA ILE 107 HA ILE 107 -7.007 7.898 8.928 813 HB ILE 107 HB ILE 107 -8.710 8.649 7.310 814 1HG1 ILE 107 1HG1 ILE 107 -7.160 6.526 7.089 815 2HG1 ILE 107 2HG1 ILE 107 -8.305 6.944 5.820 816 1HG2 ILE 107 1HG2 ILE 107 -8.091 9.697 5.224 817 2HG2 ILE 107 2HG2 ILE 107 -6.393 9.710 5.702 818 3HG2 ILE 107 3HG2 ILE 107 -7.565 10.689 6.579 819 1HD1 ILE 107 1HD1 ILE 107 -5.585 8.073 5.608 820 2HD1 ILE 107 2HD1 ILE 107 -6.681 7.499 4.350 821 3HD1 ILE 107 3HD1 ILE 107 -5.773 6.341 5.325 822 H LEU 108 H LEU 108 -5.444 10.654 7.311 823 HA LEU 108 HA LEU 108 -3.228 9.280 6.278 824 1HB LEU 108 1HB LEU 108 -3.585 12.138 7.151 825 2HB LEU 108 2HB LEU 108 -2.089 11.556 6.453 826 HG LEU 108 HG LEU 108 -4.688 11.251 4.984 827 1HD1 LEU 108 1HD1 LEU 108 -4.662 13.566 5.424 828 2HD1 LEU 108 2HD1 LEU 108 -3.992 13.382 3.803 829 3HD1 LEU 108 3HD1 LEU 108 -2.919 13.673 5.173 830 1HD2 LEU 108 1HD2 LEU 108 -3.159 11.351 3.034 831 2HD2 LEU 108 2HD2 LEU 108 -2.828 9.990 4.107 832 3HD2 LEU 108 3HD2 LEU 108 -1.794 11.418 4.149 833 H THR 109 H THR 109 -3.642 10.988 9.370 834 HA THR 109 HA THR 109 -1.055 10.659 10.346 835 HB THR 109 HB THR 109 -3.628 10.718 11.931 836 HG1 THR 109 HG1 THR 109 -3.654 12.791 11.588 837 1HG2 THR 109 1HG2 THR 109 -2.443 11.373 13.799 838 2HG2 THR 109 2HG2 THR 109 -1.008 11.799 12.867 839 3HG2 THR 109 3HG2 THR 109 -1.427 10.104 13.118 840 H ILE 110 H ILE 110 -3.789 8.445 10.368 841 HA ILE 110 HA ILE 110 -2.636 6.574 12.167 842 HB ILE 110 HB ILE 110 -4.734 6.051 10.054 843 1HG1 ILE 110 1HG1 ILE 110 -5.371 6.455 12.945 844 2HG1 ILE 110 2HG1 ILE 110 -5.061 7.876 11.954 845 1HG2 ILE 110 1HG2 ILE 110 -5.309 4.346 12.036 846 2HG2 ILE 110 2HG2 ILE 110 -3.560 4.447 12.242 847 3HG2 ILE 110 3HG2 ILE 110 -4.238 3.935 10.696 848 1HD1 ILE 110 1HD1 ILE 110 -7.433 6.328 12.174 849 2HD1 ILE 110 2HD1 ILE 110 -6.844 6.233 10.516 850 3HD1 ILE 110 3HD1 ILE 110 -7.156 7.805 11.252 851 H LEU 111 H LEU 111 -2.779 6.715 8.600 852 HA LEU 111 HA LEU 111 -1.331 4.299 8.219 853 1HB LEU 111 1HB LEU 111 -1.427 6.585 6.261 854 2HB LEU 111 2HB LEU 111 -1.188 4.885 5.917 855 HG LEU 111 HG LEU 111 -3.746 6.255 6.724 856 1HD1 LEU 111 1HD1 LEU 111 -3.699 6.475 4.472 857 2HD1 LEU 111 2HD1 LEU 111 -4.321 4.825 4.544 858 3HD1 LEU 111 3HD1 LEU 111 -2.605 5.109 4.249 859 1HD2 LEU 111 1HD2 LEU 111 -4.039 3.458 6.087 860 2HD2 LEU 111 2HD2 LEU 111 -4.613 4.355 7.492 861 3HD2 LEU 111 3HD2 LEU 111 -2.987 3.672 7.484 862 H GLN 112 H GLN 112 -0.398 7.682 8.479 863 HA GLN 112 HA GLN 112 2.299 7.361 7.706 864 1HB GLN 112 1HB GLN 112 0.849 9.453 9.311 865 2HB GLN 112 2HB GLN 112 2.584 9.543 9.035 866 1HG GLN 112 1HG GLN 112 1.775 9.183 6.517 867 2HG GLN 112 2HG GLN 112 0.337 9.969 7.168 868 1HE2 GLN 112 1HE2 GLN 112 0.620 12.042 8.203 869 2HE2 GLN 112 2HE2 GLN 112 1.888 13.091 7.676 870 H GLY 113 H GLY 113 0.673 7.185 10.839 871 1HA GLY 113 1HA GLY 113 1.467 5.716 12.553 872 2HA GLY 113 2HA GLY 113 3.093 5.907 11.915 Start of MODEL 5 1 1H MET 1 1H MET 1 7.586 24.517 -8.588 2 2H MET 1 2H MET 1 8.082 25.716 -7.471 3 3H MET 1 3H MET 1 6.549 24.965 -7.300 4 HA MET 1 HA MET 1 8.804 23.187 -7.363 5 1HB MET 1 1HB MET 1 9.325 23.691 -4.962 6 2HB MET 1 2HB MET 1 9.821 24.946 -6.087 7 1HG MET 1 1HG MET 1 7.143 25.248 -4.894 8 2HG MET 1 2HG MET 1 8.514 25.424 -3.802 9 1HE MET 1 1HE MET 1 10.477 27.539 -4.244 10 2HE MET 1 2HE MET 1 9.091 27.497 -3.154 11 3HE MET 1 3HE MET 1 9.398 28.930 -4.135 12 H GLY 2 H GLY 2 8.128 21.249 -6.634 13 1HA GLY 2 1HA GLY 2 6.876 19.865 -5.117 14 2HA GLY 2 2HA GLY 2 5.670 21.140 -5.016 15 H SER 3 H SER 3 7.221 19.409 -7.715 16 HA SER 3 HA SER 3 4.526 18.852 -8.768 17 1HB SER 3 1HB SER 3 7.136 19.378 -10.193 18 2HB SER 3 2HB SER 3 5.723 18.704 -11.007 19 HG SER 3 HG SER 3 6.244 21.231 -10.583 20 H SER 4 H SER 4 4.095 16.823 -9.664 21 HA SER 4 HA SER 4 6.051 14.723 -8.990 22 1HB SER 4 1HB SER 4 3.044 14.737 -8.760 23 2HB SER 4 2HB SER 4 3.971 13.237 -8.782 24 HG SER 4 HG SER 4 4.709 13.647 -6.834 25 H HIS 5 H HIS 5 6.984 14.207 -10.890 26 HA HIS 5 HA HIS 5 5.366 12.966 -12.916 27 1HB HIS 5 1HB HIS 5 6.390 15.706 -13.266 28 2HB HIS 5 2HB HIS 5 6.742 14.611 -14.599 29 HD1 HIS 5 HD1 HIS 5 3.997 16.494 -12.955 30 HD2 HIS 5 HD2 HIS 5 4.449 13.630 -15.967 31 HE1 HIS 5 HE1 HIS 5 1.792 16.432 -14.206 32 HE2 HIS 5 HE2 HIS 5 2.069 14.643 -15.960 33 H HIS 6 H HIS 6 6.539 11.657 -14.309 34 HA HIS 6 HA HIS 6 9.432 11.656 -14.188 35 1HB HIS 6 1HB HIS 6 9.608 9.318 -13.465 36 2HB HIS 6 2HB HIS 6 8.854 10.317 -12.229 37 HD1 HIS 6 HD1 HIS 6 8.458 7.331 -12.082 38 HD2 HIS 6 HD2 HIS 6 5.889 9.878 -14.176 39 HE1 HIS 6 HE1 HIS 6 6.240 6.114 -12.251 40 HE2 HIS 6 HE2 HIS 6 4.694 7.707 -13.443 41 H HIS 7 H HIS 7 6.493 10.857 -15.735 42 HA HIS 7 HA HIS 7 5.980 10.076 -17.796 43 1HB HIS 7 1HB HIS 7 8.704 11.193 -18.086 44 2HB HIS 7 2HB HIS 7 8.183 10.104 -19.369 45 HD1 HIS 7 HD1 HIS 7 7.858 13.542 -18.139 46 HD2 HIS 7 HD2 HIS 7 5.774 11.001 -20.723 47 HE1 HIS 7 HE1 HIS 7 6.329 15.031 -19.510 48 HE2 HIS 7 HE2 HIS 7 5.023 13.463 -20.990 49 H HIS 8 H HIS 8 9.322 8.914 -17.898 50 HA HIS 8 HA HIS 8 8.273 6.161 -17.856 51 1HB HIS 8 1HB HIS 8 9.680 7.430 -19.900 52 2HB HIS 8 2HB HIS 8 10.890 6.433 -19.099 53 HD1 HIS 8 HD1 HIS 8 7.500 5.023 -18.957 54 HD2 HIS 8 HD2 HIS 8 10.782 4.879 -21.542 55 HE1 HIS 8 HE1 HIS 8 7.102 3.044 -20.491 56 HE2 HIS 8 HE2 HIS 8 9.048 3.038 -22.092 57 H HIS 9 H HIS 9 10.548 4.723 -17.619 58 HA HIS 9 HA HIS 9 11.212 5.115 -14.858 59 1HB HIS 9 1HB HIS 9 12.058 3.093 -16.927 60 2HB HIS 9 2HB HIS 9 12.736 3.106 -15.302 61 HD1 HIS 9 HD1 HIS 9 11.352 0.602 -15.935 62 HD2 HIS 9 HD2 HIS 9 9.276 3.956 -14.548 63 HE1 HIS 9 HE1 HIS 9 9.181 -0.268 -14.956 64 HE2 HIS 9 HE2 HIS 9 7.918 1.780 -14.205 65 H HIS 10 H HIS 10 13.693 4.677 -14.330 66 HA HIS 10 HA HIS 10 15.057 7.036 -14.959 67 1HB HIS 10 1HB HIS 10 16.321 4.464 -13.997 68 2HB HIS 10 2HB HIS 10 16.944 6.096 -13.788 69 HD1 HIS 10 HD1 HIS 10 14.030 7.236 -12.938 70 HD2 HIS 10 HD2 HIS 10 16.132 4.043 -11.244 71 HE1 HIS 10 HE1 HIS 10 13.142 6.980 -10.577 72 HE2 HIS 10 HE2 HIS 10 14.488 5.110 -9.555 73 H HIS 11 H HIS 11 16.368 3.826 -15.740 74 HA HIS 11 HA HIS 11 16.519 4.117 -18.506 75 1HB HIS 11 1HB HIS 11 18.275 5.878 -17.286 76 2HB HIS 11 2HB HIS 11 19.300 4.507 -17.696 77 HD1 HIS 11 HD1 HIS 11 20.268 6.614 -19.258 78 HD2 HIS 11 HD2 HIS 11 16.712 4.732 -20.394 79 HE1 HIS 11 HE1 HIS 11 19.933 7.161 -21.712 80 HE2 HIS 11 HE2 HIS 11 17.740 6.089 -22.341 81 H HIS 12 H HIS 12 16.072 2.112 -16.519 82 HA HIS 12 HA HIS 12 18.253 0.231 -17.148 83 1HB HIS 12 1HB HIS 12 16.487 0.394 -14.701 84 2HB HIS 12 2HB HIS 12 17.501 -0.997 -15.069 85 HD1 HIS 12 HD1 HIS 12 19.678 -0.967 -13.926 86 HD2 HIS 12 HD2 HIS 12 18.219 2.887 -14.632 87 HE1 HIS 12 HE1 HIS 12 21.368 0.625 -12.904 88 HE2 HIS 12 HE2 HIS 12 20.418 2.930 -13.270 89 H GLU 13 H GLU 13 14.775 0.675 -16.802 90 HA GLU 13 HA GLU 13 13.006 -0.397 -17.747 91 1HB GLU 13 1HB GLU 13 14.472 -0.270 -19.802 92 2HB GLU 13 2HB GLU 13 15.005 -1.905 -19.432 93 1HG GLU 13 1HG GLU 13 13.118 -2.830 -20.197 94 2HG GLU 13 2HG GLU 13 12.099 -1.568 -19.504 95 H ASN 14 H ASN 14 14.217 -1.417 -15.375 96 HA ASN 14 HA ASN 14 14.251 -4.295 -15.588 97 1HB ASN 14 1HB ASN 14 15.136 -2.350 -13.685 98 2HB ASN 14 2HB ASN 14 14.068 -3.487 -12.867 99 1HD2 ASN 14 1HD2 ASN 14 14.624 -5.780 -14.338 100 2HD2 ASN 14 2HD2 ASN 14 16.250 -6.266 -14.018 101 H LEU 15 H LEU 15 12.744 -5.717 -14.755 102 HA LEU 15 HA LEU 15 10.076 -4.570 -14.308 103 1HB LEU 15 1HB LEU 15 9.160 -6.668 -15.082 104 2HB LEU 15 2HB LEU 15 10.281 -6.032 -16.269 105 HG LEU 15 HG LEU 15 11.138 -8.114 -14.278 106 1HD1 LEU 15 1HD1 LEU 15 9.792 -8.540 -16.938 107 2HD1 LEU 15 2HD1 LEU 15 9.242 -9.091 -15.355 108 3HD1 LEU 15 3HD1 LEU 15 10.697 -9.782 -16.072 109 1HD2 LEU 15 1HD2 LEU 15 13.084 -7.638 -15.267 110 2HD2 LEU 15 2HD2 LEU 15 12.304 -6.750 -16.575 111 3HD2 LEU 15 3HD2 LEU 15 12.443 -8.506 -16.663 112 H TYR 16 H TYR 16 12.619 -6.152 -12.731 113 HA TYR 16 HA TYR 16 10.843 -7.268 -10.681 114 1HB TYR 16 1HB TYR 16 12.595 -8.754 -11.607 115 2HB TYR 16 2HB TYR 16 13.826 -7.632 -11.036 116 HD1 TYR 16 HD1 TYR 16 14.974 -9.085 -9.548 117 HD2 TYR 16 HD2 TYR 16 10.768 -8.566 -9.171 118 HE1 TYR 16 HE1 TYR 16 15.030 -10.248 -7.382 119 HE2 TYR 16 HE2 TYR 16 10.812 -9.726 -7.005 120 HH TYR 16 HH TYR 16 12.304 -10.315 -5.259 121 H PHE 17 H PHE 17 10.257 -5.319 -9.679 122 HA PHE 17 HA PHE 17 12.268 -4.304 -7.831 123 1HB PHE 17 1HB PHE 17 11.489 -2.848 -10.144 124 2HB PHE 17 2HB PHE 17 10.767 -2.043 -8.755 125 HD1 PHE 17 HD1 PHE 17 12.000 -0.410 -7.726 126 HD2 PHE 17 HD2 PHE 17 14.032 -3.546 -9.758 127 HE1 PHE 17 HE1 PHE 17 14.154 0.676 -7.241 128 HE2 PHE 17 HE2 PHE 17 16.189 -2.469 -9.275 129 HZ PHE 17 HZ PHE 17 16.253 -0.354 -8.017 130 H GLN 18 H GLN 18 11.383 -3.314 -5.961 131 HA GLN 18 HA GLN 18 8.712 -4.251 -5.337 132 1HB GLN 18 1HB GLN 18 11.096 -3.701 -3.861 133 2HB GLN 18 2HB GLN 18 9.804 -2.715 -3.195 134 1HG GLN 18 1HG GLN 18 8.421 -4.747 -2.965 135 2HG GLN 18 2HG GLN 18 9.787 -5.704 -3.536 136 1HE2 GLN 18 1HE2 GLN 18 8.190 -4.864 -0.860 137 2HE2 GLN 18 2HE2 GLN 18 9.459 -4.947 0.308 138 H GLY 19 H GLY 19 8.349 -2.451 -7.245 139 1HA GLY 19 1HA GLY 19 7.981 0.207 -6.169 140 2HA GLY 19 2HA GLY 19 7.579 -0.329 -7.794 141 H SER 20 H SER 20 6.543 -0.839 -4.430 142 HA SER 20 HA SER 20 3.909 0.012 -4.837 143 1HB SER 20 1HB SER 20 3.123 -2.581 -4.389 144 2HB SER 20 2HB SER 20 3.070 -1.768 -5.953 145 HG SER 20 HG SER 20 4.802 -2.850 -6.599 146 H LYS 21 H LYS 21 2.443 -0.997 -2.990 147 HA LYS 21 HA LYS 21 3.804 -1.911 -0.668 148 1HB LYS 21 1HB LYS 21 4.430 0.552 -0.803 149 2HB LYS 21 2HB LYS 21 2.742 0.906 -0.472 150 1HG LYS 21 1HG LYS 21 3.690 1.033 1.619 151 2HG LYS 21 2HG LYS 21 3.085 -0.625 1.592 152 1HD LYS 21 1HD LYS 21 5.882 -0.037 0.707 153 2HD LYS 21 2HD LYS 21 5.506 -0.135 2.428 154 1HE LYS 21 1HE LYS 21 4.320 -2.348 1.040 155 2HE LYS 21 2HE LYS 21 6.037 -2.249 0.652 156 1HZ LYS 21 1HZ LYS 21 6.144 -3.458 2.551 157 2HZ LYS 21 2HZ LYS 21 4.734 -2.792 3.209 158 3HZ LYS 21 3HZ LYS 21 6.180 -1.916 3.250 159 H ARG 22 H ARG 22 1.039 0.331 -0.919 160 HA ARG 22 HA ARG 22 -0.674 -1.883 -0.009 161 1HB ARG 22 1HB ARG 22 -1.224 1.027 0.535 162 2HB ARG 22 2HB ARG 22 -1.930 -0.376 1.316 163 1HG ARG 22 1HG ARG 22 -0.219 -0.604 2.762 164 2HG ARG 22 2HG ARG 22 0.990 -0.105 1.578 165 1HD ARG 22 1HD ARG 22 -0.217 2.229 1.865 166 2HD ARG 22 2HD ARG 22 -0.659 1.540 3.426 167 HE ARG 22 HE ARG 22 2.155 1.520 2.620 168 1HH1 ARG 22 1HH1 ARG 22 -0.353 2.801 4.689 169 2HH1 ARG 22 2HH1 ARG 22 0.764 3.487 5.818 170 1HH2 ARG 22 1HH2 ARG 22 3.616 2.431 4.109 171 2HH2 ARG 22 2HH2 ARG 22 3.009 3.279 5.491 172 H LYS 23 H LYS 23 -2.777 -2.015 -0.833 173 HA LYS 23 HA LYS 23 -3.362 -0.323 -3.170 174 1HB LYS 23 1HB LYS 23 -2.925 -3.203 -3.081 175 2HB LYS 23 2HB LYS 23 -4.496 -2.797 -3.758 176 1HG LYS 23 1HG LYS 23 -2.555 -1.067 -4.909 177 2HG LYS 23 2HG LYS 23 -1.959 -2.724 -5.008 178 1HD LYS 23 1HD LYS 23 -4.795 -2.383 -5.704 179 2HD LYS 23 2HD LYS 23 -3.661 -1.592 -6.799 180 1HE LYS 23 1HE LYS 23 -3.606 -3.609 -7.794 181 2HE LYS 23 2HE LYS 23 -2.461 -3.992 -6.509 182 1HZ LYS 23 1HZ LYS 23 -4.855 -4.492 -5.355 183 2HZ LYS 23 2HZ LYS 23 -3.851 -5.658 -6.055 184 3HZ LYS 23 3HZ LYS 23 -5.121 -4.990 -6.950 185 H ILE 24 H ILE 24 -5.163 0.780 -2.717 186 HA ILE 24 HA ILE 24 -7.185 -0.469 -1.013 187 HB ILE 24 HB ILE 24 -7.007 2.421 -1.857 188 1HG1 ILE 24 1HG1 ILE 24 -6.363 1.607 0.919 189 2HG1 ILE 24 2HG1 ILE 24 -5.152 1.241 -0.305 190 1HG2 ILE 24 1HG2 ILE 24 -8.855 0.859 -0.170 191 2HG2 ILE 24 2HG2 ILE 24 -9.140 2.309 -1.131 192 3HG2 ILE 24 3HG2 ILE 24 -8.373 2.436 0.451 193 1HD1 ILE 24 1HD1 ILE 24 -4.783 3.478 -0.778 194 2HD1 ILE 24 2HD1 ILE 24 -5.010 3.466 0.970 195 3HD1 ILE 24 3HD1 ILE 24 -6.325 3.980 -0.086 196 H ILE 25 H ILE 25 -9.436 -0.362 -1.585 197 HA ILE 25 HA ILE 25 -9.941 0.112 -4.434 198 HB ILE 25 HB ILE 25 -11.487 -1.994 -2.993 199 1HG1 ILE 25 1HG1 ILE 25 -8.650 -2.198 -3.880 200 2HG1 ILE 25 2HG1 ILE 25 -9.474 -3.005 -2.556 201 1HG2 ILE 25 1HG2 ILE 25 -10.688 -2.221 -5.826 202 2HG2 ILE 25 2HG2 ILE 25 -11.786 -0.906 -5.408 203 3HG2 ILE 25 3HG2 ILE 25 -12.230 -2.573 -5.045 204 1HD1 ILE 25 1HD1 ILE 25 -10.292 -4.687 -3.926 205 2HD1 ILE 25 2HD1 ILE 25 -8.663 -4.406 -4.536 206 3HD1 ILE 25 3HD1 ILE 25 -10.051 -3.746 -5.396 207 H VAL 26 H VAL 26 -11.981 0.992 -4.937 208 HA VAL 26 HA VAL 26 -13.612 1.776 -2.612 209 HB VAL 26 HB VAL 26 -12.371 3.743 -3.377 210 1HG1 VAL 26 1HG1 VAL 26 -12.141 4.389 -5.517 211 2HG1 VAL 26 2HG1 VAL 26 -13.801 3.965 -5.933 212 3HG1 VAL 26 3HG1 VAL 26 -12.558 2.713 -5.874 213 1HG2 VAL 26 1HG2 VAL 26 -15.121 4.283 -4.358 214 2HG2 VAL 26 2HG2 VAL 26 -14.139 5.171 -3.192 215 3HG2 VAL 26 3HG2 VAL 26 -14.936 3.672 -2.714 216 H ALA 27 H ALA 27 -15.633 1.066 -2.757 217 HA ALA 27 HA ALA 27 -16.721 0.516 -5.435 218 1HB ALA 27 1HB ALA 27 -17.972 -1.351 -4.451 219 2HB ALA 27 2HB ALA 27 -17.206 -1.030 -2.896 220 3HB ALA 27 3HB ALA 27 -16.229 -1.554 -4.267 221 H CYS 28 H CYS 28 -18.501 1.537 -5.977 222 HA CYS 28 HA CYS 28 -20.518 2.207 -4.009 223 1HB CYS 28 1HB CYS 28 -20.519 4.643 -4.849 224 2HB CYS 28 2HB CYS 28 -19.297 4.177 -3.673 225 HG CYS 28 HG CYS 28 -18.613 4.445 -6.699 226 H GLY 29 H GLY 29 -22.479 3.125 -5.004 227 1HA GLY 29 1HA GLY 29 -22.947 1.862 -7.581 228 2HA GLY 29 2HA GLY 29 -24.164 2.564 -6.526 229 H GLY 30 H GLY 30 -21.756 3.227 -8.981 230 1HA GLY 30 1HA GLY 30 -22.847 4.925 -10.608 231 2HA GLY 30 2HA GLY 30 -22.742 5.987 -9.212 232 H ALA 31 H ALA 31 -21.527 6.919 -11.338 233 HA ALA 31 HA ALA 31 -18.876 7.303 -10.568 234 1HB ALA 31 1HB ALA 31 -19.267 5.185 -12.660 235 2HB ALA 31 2HB ALA 31 -18.274 5.131 -11.203 236 3HB ALA 31 3HB ALA 31 -17.784 6.136 -12.567 237 H VAL 32 H VAL 32 -19.853 9.383 -11.000 238 HA VAL 32 HA VAL 32 -19.432 10.209 -13.777 239 HB VAL 32 HB VAL 32 -21.818 11.220 -12.237 240 1HG1 VAL 32 1HG1 VAL 32 -20.920 12.669 -13.990 241 2HG1 VAL 32 2HG1 VAL 32 -22.523 12.066 -14.406 242 3HG1 VAL 32 3HG1 VAL 32 -21.094 11.360 -15.159 243 1HG2 VAL 32 1HG2 VAL 32 -23.116 9.524 -12.879 244 2HG2 VAL 32 2HG2 VAL 32 -21.632 8.645 -13.229 245 3HG2 VAL 32 3HG2 VAL 32 -22.454 9.528 -14.511 246 H ALA 33 H ALA 33 -20.015 11.161 -10.427 247 HA ALA 33 HA ALA 33 -18.060 13.316 -10.742 248 1HB ALA 33 1HB ALA 33 -19.930 14.641 -10.959 249 2HB ALA 33 2HB ALA 33 -19.680 14.682 -9.214 250 3HB ALA 33 3HB ALA 33 -20.907 13.620 -9.905 251 H THR 34 H THR 34 -20.047 11.386 -8.533 252 HA THR 34 HA THR 34 -18.670 12.056 -6.167 253 HB THR 34 HB THR 34 -19.724 9.368 -6.081 254 HG1 THR 34 HG1 THR 34 -21.737 9.711 -6.840 255 1HG2 THR 34 1HG2 THR 34 -20.012 10.282 -4.064 256 2HG2 THR 34 2HG2 THR 34 -21.523 10.878 -4.753 257 3HG2 THR 34 3HG2 THR 34 -20.103 11.923 -4.702 258 H SER 35 H SER 35 -18.454 9.089 -8.139 259 HA SER 35 HA SER 35 -16.391 7.841 -6.815 260 1HB SER 35 1HB SER 35 -17.479 6.633 -8.542 261 2HB SER 35 2HB SER 35 -17.113 7.870 -9.744 262 HG SER 35 HG SER 35 -15.677 6.199 -10.035 263 H THR 36 H THR 36 -16.207 10.394 -9.239 264 HA THR 36 HA THR 36 -13.374 10.354 -9.476 265 HB THR 36 HB THR 36 -14.665 12.928 -10.025 266 HG1 THR 36 HG1 THR 36 -16.464 11.895 -10.595 267 1HG2 THR 36 1HG2 THR 36 -13.696 12.648 -12.213 268 2HG2 THR 36 2HG2 THR 36 -13.290 10.971 -11.847 269 3HG2 THR 36 3HG2 THR 36 -12.499 12.281 -10.972 270 H MET 37 H MET 37 -15.619 11.935 -7.308 271 HA MET 37 HA MET 37 -13.974 13.948 -6.283 272 1HB MET 37 1HB MET 37 -16.101 12.331 -4.869 273 2HB MET 37 2HB MET 37 -15.372 13.795 -4.230 274 1HG MET 37 1HG MET 37 -16.192 14.743 -6.578 275 2HG MET 37 2HG MET 37 -17.370 13.449 -6.373 276 1HE MET 37 1HE MET 37 -16.658 17.223 -4.114 277 2HE MET 37 2HE MET 37 -17.616 17.372 -5.587 278 3HE MET 37 3HE MET 37 -16.018 16.630 -5.647 279 H ALA 38 H ALA 38 -14.511 10.660 -5.030 280 HA ALA 38 HA ALA 38 -12.615 10.796 -2.966 281 1HB ALA 38 1HB ALA 38 -13.390 8.761 -2.489 282 2HB ALA 38 2HB ALA 38 -12.897 8.127 -4.059 283 3HB ALA 38 3HB ALA 38 -14.456 8.933 -3.883 284 H ALA 39 H ALA 39 -12.344 9.159 -6.125 285 HA ALA 39 HA ALA 39 -9.693 8.416 -5.979 286 1HB ALA 39 1HB ALA 39 -11.403 9.168 -8.331 287 2HB ALA 39 2HB ALA 39 -10.976 7.558 -7.750 288 3HB ALA 39 3HB ALA 39 -9.751 8.573 -8.513 289 H GLU 40 H GLU 40 -10.926 11.373 -7.569 290 HA GLU 40 HA GLU 40 -8.438 12.493 -8.133 291 1HB GLU 40 1HB GLU 40 -10.916 13.210 -8.772 292 2HB GLU 40 2HB GLU 40 -10.692 14.310 -7.418 293 1HG GLU 40 1HG GLU 40 -8.378 14.638 -8.847 294 2HG GLU 40 2HG GLU 40 -9.585 14.397 -10.108 295 H GLU 41 H GLU 41 -10.383 12.646 -5.196 296 HA GLU 41 HA GLU 41 -8.788 14.634 -3.912 297 1HB GLU 41 1HB GLU 41 -10.954 12.767 -3.051 298 2HB GLU 41 2HB GLU 41 -9.965 13.533 -1.817 299 1HG GLU 41 1HG GLU 41 -10.557 15.735 -2.762 300 2HG GLU 41 2HG GLU 41 -11.626 14.921 -3.905 301 H ILE 42 H ILE 42 -9.062 11.106 -3.436 302 HA ILE 42 HA ILE 42 -7.018 10.882 -1.529 303 HB ILE 42 HB ILE 42 -7.915 8.813 -3.542 304 1HG1 ILE 42 1HG1 ILE 42 -9.745 9.739 -2.121 305 2HG1 ILE 42 2HG1 ILE 42 -9.447 8.027 -1.842 306 1HG2 ILE 42 1HG2 ILE 42 -5.969 7.913 -2.696 307 2HG2 ILE 42 2HG2 ILE 42 -7.167 7.292 -1.560 308 3HG2 ILE 42 3HG2 ILE 42 -6.173 8.680 -1.121 309 1HD1 ILE 42 1HD1 ILE 42 -9.589 8.709 0.307 310 2HD1 ILE 42 2HD1 ILE 42 -9.037 10.345 -0.062 311 3HD1 ILE 42 3HD1 ILE 42 -7.873 9.028 0.054 312 H LYS 43 H LYS 43 -6.968 10.922 -5.033 313 HA LYS 43 HA LYS 43 -4.358 9.982 -5.435 314 1HB LYS 43 1HB LYS 43 -6.183 10.318 -7.163 315 2HB LYS 43 2HB LYS 43 -5.752 12.022 -7.159 316 1HG LYS 43 1HG LYS 43 -3.338 11.056 -7.591 317 2HG LYS 43 2HG LYS 43 -4.258 9.686 -8.215 318 1HD LYS 43 1HD LYS 43 -5.506 11.939 -9.287 319 2HD LYS 43 2HD LYS 43 -3.779 12.280 -9.399 320 1HE LYS 43 1HE LYS 43 -5.088 9.743 -10.371 321 2HE LYS 43 2HE LYS 43 -4.708 11.127 -11.397 322 1HZ LYS 43 1HZ LYS 43 -2.781 9.426 -9.912 323 2HZ LYS 43 2HZ LYS 43 -2.357 10.849 -10.722 324 3HZ LYS 43 3HZ LYS 43 -2.966 9.532 -11.591 325 H GLU 44 H GLU 44 -5.504 13.375 -5.471 326 HA GLU 44 HA GLU 44 -3.010 14.587 -5.622 327 1HB GLU 44 1HB GLU 44 -4.143 16.544 -4.452 328 2HB GLU 44 2HB GLU 44 -4.899 15.976 -5.934 329 1HG GLU 44 1HG GLU 44 -6.538 14.734 -4.610 330 2HG GLU 44 2HG GLU 44 -5.784 15.323 -3.134 331 H LEU 45 H LEU 45 -4.708 13.266 -2.871 332 HA LEU 45 HA LEU 45 -3.051 14.357 -0.842 333 1HB LEU 45 1HB LEU 45 -5.370 12.806 -0.977 334 2HB LEU 45 2HB LEU 45 -4.198 11.776 -0.180 335 HG LEU 45 HG LEU 45 -3.886 13.367 1.587 336 1HD1 LEU 45 1HD1 LEU 45 -3.921 15.487 0.704 337 2HD1 LEU 45 2HD1 LEU 45 -5.492 15.431 1.503 338 3HD1 LEU 45 3HD1 LEU 45 -5.381 15.189 -0.240 339 1HD2 LEU 45 1HD2 LEU 45 -6.067 13.350 2.579 340 2HD2 LEU 45 2HD2 LEU 45 -5.854 11.859 1.668 341 3HD2 LEU 45 3HD2 LEU 45 -6.836 13.166 1.004 342 H CYS 46 H CYS 46 -3.164 11.121 -2.325 343 HA CYS 46 HA CYS 46 -1.084 9.903 -1.019 344 1HB CYS 46 1HB CYS 46 -2.212 9.627 -3.770 345 2HB CYS 46 2HB CYS 46 -0.734 8.756 -3.372 346 HG CYS 46 HG CYS 46 -2.412 7.075 -2.656 347 H GLN 47 H GLN 47 -0.904 12.198 -3.684 348 HA GLN 47 HA GLN 47 1.919 11.875 -4.066 349 1HB GLN 47 1HB GLN 47 -0.242 13.402 -5.284 350 2HB GLN 47 2HB GLN 47 1.233 14.346 -5.138 351 1HG GLN 47 1HG GLN 47 1.557 13.402 -7.181 352 2HG GLN 47 2HG GLN 47 2.333 12.195 -6.157 353 1HE2 GLN 47 1HE2 GLN 47 -0.879 12.982 -7.449 354 2HE2 GLN 47 2HE2 GLN 47 -1.313 11.353 -7.826 355 H SER 48 H SER 48 -0.156 14.205 -2.403 356 HA SER 48 HA SER 48 1.690 16.122 -1.680 357 1HB SER 48 1HB SER 48 -0.899 15.193 -0.641 358 2HB SER 48 2HB SER 48 0.120 15.978 0.566 359 HG SER 48 HG SER 48 -1.351 17.319 -0.830 360 H HIS 49 H HIS 49 1.003 13.033 -0.093 361 HA HIS 49 HA HIS 49 3.150 13.516 1.828 362 1HB HIS 49 1HB HIS 49 0.807 11.701 1.697 363 2HB HIS 49 2HB HIS 49 2.230 11.099 2.543 364 HD1 HIS 49 HD1 HIS 49 1.572 14.749 2.716 365 HD2 HIS 49 HD2 HIS 49 0.780 11.325 4.978 366 HE1 HIS 49 HE1 HIS 49 0.835 15.568 4.998 367 HE2 HIS 49 HE2 HIS 49 0.534 13.485 6.380 368 H ASN 50 H ASN 50 2.917 12.275 -1.218 369 HA ASN 50 HA ASN 50 4.180 10.882 -2.494 370 1HB ASN 50 1HB ASN 50 6.293 11.213 -0.360 371 2HB ASN 50 2HB ASN 50 6.536 10.869 -2.070 372 1HD2 ASN 50 1HD2 ASN 50 5.637 13.297 0.266 373 2HD2 ASN 50 2HD2 ASN 50 5.879 14.662 -0.766 374 H ILE 51 H ILE 51 2.410 9.477 -1.102 375 HA ILE 51 HA ILE 51 3.851 7.220 0.115 376 HB ILE 51 HB ILE 51 0.882 7.781 0.168 377 1HG1 ILE 51 1HG1 ILE 51 2.738 8.103 2.510 378 2HG1 ILE 51 2HG1 ILE 51 2.483 9.429 1.380 379 1HG2 ILE 51 1HG2 ILE 51 0.909 6.128 2.025 380 2HG2 ILE 51 2HG2 ILE 51 2.596 5.789 1.640 381 3HG2 ILE 51 3HG2 ILE 51 1.336 5.447 0.455 382 1HD1 ILE 51 1HD1 ILE 51 0.342 9.781 2.064 383 2HD1 ILE 51 2HD1 ILE 51 1.041 9.169 3.565 384 3HD1 ILE 51 3HD1 ILE 51 0.096 8.098 2.531 385 HA PRO 52 HA PRO 52 3.123 5.532 -4.084 386 1HB PRO 52 1HB PRO 52 4.703 3.344 -2.835 387 2HB PRO 52 2HB PRO 52 4.915 4.136 -4.400 388 1HG PRO 52 1HG PRO 52 6.556 4.674 -2.372 389 2HG PRO 52 2HG PRO 52 6.026 5.950 -3.483 390 1HD PRO 52 1HD PRO 52 5.115 5.362 -0.698 391 2HD PRO 52 2HD PRO 52 5.355 6.923 -1.504 392 H VAL 53 H VAL 53 1.126 4.770 -4.325 393 HA VAL 53 HA VAL 53 0.458 2.156 -3.332 394 HB VAL 53 HB VAL 53 -1.783 3.021 -2.405 395 1HG1 VAL 53 1HG1 VAL 53 0.479 2.206 -1.212 396 2HG1 VAL 53 2HG1 VAL 53 -0.977 2.666 -0.331 397 3HG1 VAL 53 3HG1 VAL 53 0.339 3.822 -0.522 398 1HG2 VAL 53 1HG2 VAL 53 -2.077 5.200 -1.877 399 2HG2 VAL 53 2HG2 VAL 53 -0.946 5.439 -3.209 400 3HG2 VAL 53 3HG2 VAL 53 -0.367 5.464 -1.544 401 H GLU 54 H GLU 54 -1.753 1.488 -4.129 402 HA GLU 54 HA GLU 54 -2.449 2.928 -6.600 403 1HB GLU 54 1HB GLU 54 -2.727 -0.032 -6.537 404 2HB GLU 54 2HB GLU 54 -2.403 1.032 -7.895 405 1HG GLU 54 1HG GLU 54 -0.152 1.290 -6.320 406 2HG GLU 54 2HG GLU 54 -0.568 -0.417 -6.180 407 H LEU 55 H LEU 55 -4.477 3.583 -6.569 408 HA LEU 55 HA LEU 55 -6.382 2.215 -4.814 409 1HB LEU 55 1HB LEU 55 -6.077 4.665 -4.564 410 2HB LEU 55 2HB LEU 55 -6.649 4.880 -6.209 411 HG LEU 55 HG LEU 55 -8.449 3.388 -4.395 412 1HD1 LEU 55 1HD1 LEU 55 -8.874 4.990 -2.905 413 2HD1 LEU 55 2HD1 LEU 55 -8.805 6.265 -4.121 414 3HD1 LEU 55 3HD1 LEU 55 -7.319 5.676 -3.376 415 1HD2 LEU 55 1HD2 LEU 55 -10.140 4.620 -5.611 416 2HD2 LEU 55 2HD2 LEU 55 -8.996 3.895 -6.741 417 3HD2 LEU 55 3HD2 LEU 55 -8.902 5.618 -6.373 418 H ILE 56 H ILE 56 -7.774 0.859 -5.635 419 HA ILE 56 HA ILE 56 -8.397 0.970 -8.509 420 HB ILE 56 HB ILE 56 -9.378 -1.455 -7.625 421 1HG1 ILE 56 1HG1 ILE 56 -6.792 -0.832 -6.185 422 2HG1 ILE 56 2HG1 ILE 56 -8.325 -1.288 -5.462 423 1HG2 ILE 56 1HG2 ILE 56 -8.312 -1.388 -9.678 424 2HG2 ILE 56 2HG2 ILE 56 -7.176 -2.313 -8.698 425 3HG2 ILE 56 3HG2 ILE 56 -6.872 -0.607 -9.024 426 1HD1 ILE 56 1HD1 ILE 56 -8.115 -3.504 -6.555 427 2HD1 ILE 56 2HD1 ILE 56 -6.844 -3.158 -5.382 428 3HD1 ILE 56 3HD1 ILE 56 -6.510 -3.027 -7.109 429 H GLN 57 H GLN 57 -10.575 0.665 -9.217 430 HA GLN 57 HA GLN 57 -12.575 1.176 -7.120 431 1HB GLN 57 1HB GLN 57 -12.018 3.122 -8.713 432 2HB GLN 57 2HB GLN 57 -12.838 2.177 -9.948 433 1HG GLN 57 1HG GLN 57 -14.237 2.685 -7.374 434 2HG GLN 57 2HG GLN 57 -14.108 3.994 -8.548 435 1HE2 GLN 57 1HE2 GLN 57 -16.533 2.871 -7.740 436 2HE2 GLN 57 2HE2 GLN 57 -17.247 2.072 -9.095 437 H CYS 58 H CYS 58 -14.299 -0.175 -7.087 438 HA CYS 58 HA CYS 58 -15.090 -1.634 -9.454 439 1HB CYS 58 1HB CYS 58 -13.682 -2.902 -7.147 440 2HB CYS 58 2HB CYS 58 -14.978 -3.792 -7.933 441 HG CYS 58 HG CYS 58 -12.212 -3.626 -8.946 442 H ARG 59 H ARG 59 -17.057 -3.061 -8.924 443 HA ARG 59 HA ARG 59 -18.928 -1.486 -7.474 444 1HB ARG 59 1HB ARG 59 -19.282 -4.272 -8.592 445 2HB ARG 59 2HB ARG 59 -20.556 -3.133 -8.185 446 1HG ARG 59 1HG ARG 59 -20.220 -1.867 -10.057 447 2HG ARG 59 2HG ARG 59 -18.520 -2.322 -10.195 448 1HD ARG 59 1HD ARG 59 -18.987 -4.226 -11.340 449 2HD ARG 59 2HD ARG 59 -20.514 -4.484 -10.507 450 HE ARG 59 HE ARG 59 -21.534 -2.910 -11.995 451 1HH1 ARG 59 1HH1 ARG 59 -18.265 -3.794 -12.875 452 2HH1 ARG 59 2HH1 ARG 59 -18.463 -3.339 -14.532 453 1HH2 ARG 59 1HH2 ARG 59 -21.781 -2.318 -14.174 454 2HH2 ARG 59 2HH2 ARG 59 -20.451 -2.502 -15.268 455 H VAL 60 H VAL 60 -20.531 -3.667 -6.416 456 HA VAL 60 HA VAL 60 -19.165 -3.977 -3.862 457 HB VAL 60 HB VAL 60 -21.457 -5.024 -3.223 458 1HG1 VAL 60 1HG1 VAL 60 -22.174 -2.304 -3.619 459 2HG1 VAL 60 2HG1 VAL 60 -20.447 -2.376 -3.270 460 3HG1 VAL 60 3HG1 VAL 60 -21.604 -3.094 -2.149 461 1HG2 VAL 60 1HG2 VAL 60 -23.332 -4.439 -4.545 462 2HG2 VAL 60 2HG2 VAL 60 -22.166 -5.177 -5.643 463 3HG2 VAL 60 3HG2 VAL 60 -22.358 -3.424 -5.608 464 H ASN 61 H ASN 61 -19.393 -5.746 -6.655 465 HA ASN 61 HA ASN 61 -18.850 -8.239 -5.199 466 1HB ASN 61 1HB ASN 61 -20.628 -7.898 -7.620 467 2HB ASN 61 2HB ASN 61 -20.013 -9.458 -7.083 468 1HD2 ASN 61 1HD2 ASN 61 -20.959 -10.470 -5.395 469 2HD2 ASN 61 2HD2 ASN 61 -22.339 -9.862 -4.551 470 H GLU 62 H GLU 62 -16.818 -6.659 -5.930 471 HA GLU 62 HA GLU 62 -15.598 -8.168 -8.125 472 1HB GLU 62 1HB GLU 62 -16.233 -5.328 -8.147 473 2HB GLU 62 2HB GLU 62 -14.525 -5.630 -8.430 474 1HG GLU 62 1HG GLU 62 -15.070 -5.944 -10.551 475 2HG GLU 62 2HG GLU 62 -15.769 -7.479 -10.045 476 H ILE 63 H ILE 63 -15.179 -6.074 -5.324 477 HA ILE 63 HA ILE 63 -12.429 -5.990 -5.112 478 HB ILE 63 HB ILE 63 -14.342 -6.321 -2.795 479 1HG1 ILE 63 1HG1 ILE 63 -13.475 -3.611 -3.530 480 2HG1 ILE 63 2HG1 ILE 63 -14.499 -4.382 -4.735 481 1HG2 ILE 63 1HG2 ILE 63 -11.983 -4.580 -2.572 482 2HG2 ILE 63 2HG2 ILE 63 -11.653 -6.310 -2.680 483 3HG2 ILE 63 3HG2 ILE 63 -12.699 -5.688 -1.402 484 1HD1 ILE 63 1HD1 ILE 63 -15.394 -4.533 -1.923 485 2HD1 ILE 63 2HD1 ILE 63 -16.328 -4.337 -3.406 486 3HD1 ILE 63 3HD1 ILE 63 -15.468 -2.960 -2.718 487 H GLU 64 H GLU 64 -14.647 -8.566 -4.216 488 HA GLU 64 HA GLU 64 -12.747 -10.177 -2.856 489 1HB GLU 64 1HB GLU 64 -15.216 -11.196 -4.253 490 2HB GLU 64 2HB GLU 64 -14.409 -11.877 -2.847 491 1HG GLU 64 1HG GLU 64 -15.424 -9.122 -2.559 492 2HG GLU 64 2HG GLU 64 -16.634 -10.393 -2.717 493 H THR 65 H THR 65 -13.802 -9.937 -6.204 494 HA THR 65 HA THR 65 -12.351 -12.264 -7.055 495 HB THR 65 HB THR 65 -12.888 -11.404 -9.356 496 HG1 THR 65 HG1 THR 65 -12.967 -9.185 -8.819 497 1HG2 THR 65 1HG2 THR 65 -15.343 -11.378 -7.638 498 2HG2 THR 65 2HG2 THR 65 -14.462 -12.857 -8.021 499 3HG2 THR 65 3HG2 THR 65 -15.180 -11.897 -9.315 500 H TYR 66 H TYR 66 -11.830 -8.752 -7.202 501 HA TYR 66 HA TYR 66 -9.221 -9.146 -8.422 502 1HB TYR 66 1HB TYR 66 -10.713 -6.636 -7.642 503 2HB TYR 66 2HB TYR 66 -9.145 -6.660 -8.444 504 HD1 TYR 66 HD1 TYR 66 -12.451 -6.110 -9.032 505 HD2 TYR 66 HD2 TYR 66 -9.239 -8.416 -10.585 506 HE1 TYR 66 HE1 TYR 66 -13.576 -6.205 -11.210 507 HE2 TYR 66 HE2 TYR 66 -10.360 -8.520 -12.770 508 HH TYR 66 HH TYR 66 -13.560 -7.768 -13.224 509 H MET 67 H MET 67 -10.137 -9.719 -5.468 510 HA MET 67 HA MET 67 -8.483 -8.022 -3.880 511 1HB MET 67 1HB MET 67 -10.423 -10.070 -3.448 512 2HB MET 67 2HB MET 67 -8.978 -10.489 -2.539 513 1HG MET 67 1HG MET 67 -9.498 -7.724 -2.164 514 2HG MET 67 2HG MET 67 -10.995 -8.611 -1.900 515 1HE MET 67 1HE MET 67 -7.002 -8.988 0.117 516 2HE MET 67 2HE MET 67 -7.362 -9.147 -1.601 517 3HE MET 67 3HE MET 67 -7.430 -10.563 -0.552 518 H ASP 68 H ASP 68 -6.854 -8.872 -5.909 519 HA ASP 68 HA ASP 68 -5.363 -11.197 -5.297 520 1HB ASP 68 1HB ASP 68 -5.186 -8.963 -7.210 521 2HB ASP 68 2HB ASP 68 -3.637 -9.675 -6.768 522 H GLY 69 H GLY 69 -4.955 -7.773 -4.529 523 1HA GLY 69 1HA GLY 69 -3.302 -8.450 -2.266 524 2HA GLY 69 2HA GLY 69 -2.422 -7.645 -3.555 525 H VAL 70 H VAL 70 -5.563 -7.222 -1.875 526 HA VAL 70 HA VAL 70 -5.187 -4.338 -2.009 527 HB VAL 70 HB VAL 70 -7.398 -5.286 -2.574 528 1HG1 VAL 70 1HG1 VAL 70 -7.740 -5.927 0.341 529 2HG1 VAL 70 2HG1 VAL 70 -7.215 -7.132 -0.833 530 3HG1 VAL 70 3HG1 VAL 70 -8.789 -6.357 -1.010 531 1HG2 VAL 70 1HG2 VAL 70 -8.718 -3.817 -0.955 532 2HG2 VAL 70 2HG2 VAL 70 -7.462 -3.040 -1.919 533 3HG2 VAL 70 3HG2 VAL 70 -7.159 -3.436 -0.229 534 H HIS 71 H HIS 71 -4.498 -3.141 -0.358 535 HA HIS 71 HA HIS 71 -3.963 -4.451 2.190 536 1HB HIS 71 1HB HIS 71 -2.146 -3.179 1.167 537 2HB HIS 71 2HB HIS 71 -3.154 -1.736 1.136 538 HD1 HIS 71 HD1 HIS 71 -2.737 -0.163 2.987 539 HD2 HIS 71 HD2 HIS 71 -1.796 -4.103 4.014 540 HE1 HIS 71 HE1 HIS 71 -1.801 -0.073 5.343 541 HE2 HIS 71 HE2 HIS 71 -1.133 -2.442 5.884 542 H LEU 72 H LEU 72 -6.179 -2.240 0.777 543 HA LEU 72 HA LEU 72 -7.643 -2.042 3.261 544 1HB LEU 72 1HB LEU 72 -6.170 0.244 2.069 545 2HB LEU 72 2HB LEU 72 -7.781 0.565 2.677 546 HG LEU 72 HG LEU 72 -5.813 -0.830 4.439 547 1HD1 LEU 72 1HD1 LEU 72 -5.217 1.610 3.238 548 2HD1 LEU 72 2HD1 LEU 72 -4.458 0.914 4.669 549 3HD1 LEU 72 3HD1 LEU 72 -5.816 2.025 4.843 550 1HD2 LEU 72 1HD2 LEU 72 -8.427 -0.024 4.733 551 2HD2 LEU 72 2HD2 LEU 72 -7.521 1.276 5.508 552 3HD2 LEU 72 3HD2 LEU 72 -7.306 -0.390 6.044 553 H ILE 73 H ILE 73 -9.850 -1.590 2.920 554 HA ILE 73 HA ILE 73 -10.616 -1.076 0.132 555 HB ILE 73 HB ILE 73 -10.974 -3.358 0.211 556 1HG1 ILE 73 1HG1 ILE 73 -13.565 -3.579 0.675 557 2HG1 ILE 73 2HG1 ILE 73 -13.475 -1.824 0.739 558 1HG2 ILE 73 1HG2 ILE 73 -12.135 -4.521 2.076 559 2HG2 ILE 73 2HG2 ILE 73 -12.016 -3.028 2.988 560 3HG2 ILE 73 3HG2 ILE 73 -10.553 -3.859 2.479 561 1HD1 ILE 73 1HD1 ILE 73 -12.033 -2.606 -1.526 562 2HD1 ILE 73 2HD1 ILE 73 -13.599 -1.796 -1.465 563 3HD1 ILE 73 3HD1 ILE 73 -13.514 -3.556 -1.518 564 H CYS 74 H CYS 74 -12.416 0.152 -0.197 565 HA CYS 74 HA CYS 74 -13.776 1.177 2.199 566 1HB CYS 74 1HB CYS 74 -12.029 2.644 0.630 567 2HB CYS 74 2HB CYS 74 -13.612 3.107 0.014 568 HG CYS 74 HG CYS 74 -12.637 4.538 2.152 569 H THR 75 H THR 75 -15.861 0.691 2.133 570 HA THR 75 HA THR 75 -17.326 0.984 -0.389 571 HB THR 75 HB THR 75 -17.625 -1.455 1.381 572 HG1 THR 75 HG1 THR 75 -15.612 -1.276 0.084 573 1HG2 THR 75 1HG2 THR 75 -19.459 -1.886 0.241 574 2HG2 THR 75 2HG2 THR 75 -18.516 -1.912 -1.249 575 3HG2 THR 75 3HG2 THR 75 -19.253 -0.408 -0.699 576 H THR 76 H THR 76 -19.561 1.415 -0.113 577 HA THR 76 HA THR 76 -20.238 2.341 2.593 578 HB THR 76 HB THR 76 -20.422 4.159 1.114 579 HG1 THR 76 HG1 THR 76 -22.739 4.454 0.924 580 1HG2 THR 76 1HG2 THR 76 -20.477 3.781 -1.070 581 2HG2 THR 76 2HG2 THR 76 -22.220 3.573 -0.892 582 3HG2 THR 76 3HG2 THR 76 -21.157 2.168 -0.854 583 H ALA 77 H ALA 77 -20.652 -0.008 3.037 584 HA ALA 77 HA ALA 77 -23.491 -0.507 2.767 585 1HB ALA 77 1HB ALA 77 -22.074 -2.949 2.100 586 2HB ALA 77 2HB ALA 77 -21.808 -1.675 0.909 587 3HB ALA 77 3HB ALA 77 -23.450 -2.184 1.304 588 H ARG 78 H ARG 78 -24.307 -1.921 4.322 589 HA ARG 78 HA ARG 78 -22.708 -2.152 6.693 590 1HB ARG 78 1HB ARG 78 -25.531 -2.958 6.012 591 2HB ARG 78 2HB ARG 78 -24.805 -3.317 7.573 592 1HG ARG 78 1HG ARG 78 -25.136 -1.249 8.310 593 2HG ARG 78 2HG ARG 78 -24.471 -0.535 6.841 594 1HD ARG 78 1HD ARG 78 -26.504 -0.062 6.071 595 2HD ARG 78 2HD ARG 78 -27.047 -1.719 6.321 596 HE ARG 78 HE ARG 78 -27.446 0.539 8.087 597 1HH1 ARG 78 1HH1 ARG 78 -27.519 -2.936 7.740 598 2HH1 ARG 78 2HH1 ARG 78 -28.596 -3.168 9.075 599 1HH2 ARG 78 1HH2 ARG 78 -28.857 0.230 9.842 600 2HH2 ARG 78 2HH2 ARG 78 -29.355 -1.372 10.268 601 H VAL 79 H VAL 79 -21.191 -3.560 5.192 602 HA VAL 79 HA VAL 79 -21.855 -6.250 4.693 603 HB VAL 79 HB VAL 79 -19.341 -6.605 4.695 604 1HG1 VAL 79 1HG1 VAL 79 -20.293 -4.317 2.983 605 2HG1 VAL 79 2HG1 VAL 79 -20.738 -6.000 2.705 606 3HG1 VAL 79 3HG1 VAL 79 -19.049 -5.505 2.599 607 1HG2 VAL 79 1HG2 VAL 79 -18.027 -5.093 5.658 608 2HG2 VAL 79 2HG2 VAL 79 -19.431 -4.095 6.038 609 3HG2 VAL 79 3HG2 VAL 79 -18.583 -3.877 4.507 610 H ASP 80 H ASP 80 -20.212 -7.985 5.793 611 HA ASP 80 HA ASP 80 -20.996 -7.972 8.608 612 1HB ASP 80 1HB ASP 80 -20.011 -10.138 6.754 613 2HB ASP 80 2HB ASP 80 -20.186 -10.388 8.488 614 H ARG 81 H ARG 81 -18.213 -7.632 6.609 615 HA ARG 81 HA ARG 81 -15.961 -7.561 7.032 616 1HB ARG 81 1HB ARG 81 -17.360 -5.662 8.570 617 2HB ARG 81 2HB ARG 81 -16.106 -6.305 9.620 618 1HG ARG 81 1HG ARG 81 -14.391 -5.627 8.163 619 2HG ARG 81 2HG ARG 81 -15.524 -5.335 6.841 620 1HD ARG 81 1HD ARG 81 -15.930 -3.815 9.352 621 2HD ARG 81 2HD ARG 81 -14.545 -3.374 8.354 622 HE ARG 81 HE ARG 81 -16.642 -3.482 6.609 623 1HH1 ARG 81 1HH1 ARG 81 -16.004 -1.758 9.575 624 2HH1 ARG 81 2HH1 ARG 81 -16.966 -0.388 9.132 625 1HH2 ARG 81 1HH2 ARG 81 -17.908 -1.681 6.024 626 2HH2 ARG 81 2HH2 ARG 81 -18.048 -0.344 7.116 627 H SER 82 H SER 82 -17.030 -10.022 7.809 628 HA SER 82 HA SER 82 -15.335 -10.660 10.128 629 1HB SER 82 1HB SER 82 -16.923 -12.146 11.006 630 2HB SER 82 2HB SER 82 -17.901 -10.776 10.480 631 HG SER 82 HG SER 82 -18.956 -12.299 9.465 632 H PHE 83 H PHE 83 -15.567 -10.956 6.908 633 HA PHE 83 HA PHE 83 -14.788 -13.762 6.749 634 1HB PHE 83 1HB PHE 83 -14.841 -13.391 4.285 635 2HB PHE 83 2HB PHE 83 -16.374 -13.052 5.078 636 HD1 PHE 83 HD1 PHE 83 -17.015 -10.657 5.501 637 HD2 PHE 83 HD2 PHE 83 -13.732 -11.754 3.024 638 HE1 PHE 83 HE1 PHE 83 -17.057 -8.427 4.463 639 HE2 PHE 83 HE2 PHE 83 -13.768 -9.523 1.983 640 HZ PHE 83 HZ PHE 83 -15.432 -7.858 2.703 641 H GLY 84 H GLY 84 -12.738 -13.984 7.461 642 1HA GLY 84 1HA GLY 84 -10.443 -14.039 7.169 643 2HA GLY 84 2HA GLY 84 -10.631 -12.983 5.778 644 H ASP 85 H ASP 85 -9.669 -11.097 5.990 645 HA ASP 85 HA ASP 85 -9.888 -9.614 8.476 646 1HB ASP 85 1HB ASP 85 -7.440 -10.965 7.634 647 2HB ASP 85 2HB ASP 85 -7.206 -9.235 7.865 648 H ILE 86 H ILE 86 -10.839 -9.394 5.702 649 HA ILE 86 HA ILE 86 -9.454 -7.531 4.189 650 HB ILE 86 HB ILE 86 -11.398 -8.756 3.359 651 1HG1 ILE 86 1HG1 ILE 86 -12.668 -6.414 2.673 652 2HG1 ILE 86 2HG1 ILE 86 -11.058 -5.857 3.111 653 1HG2 ILE 86 1HG2 ILE 86 -13.580 -7.229 4.200 654 2HG2 ILE 86 2HG2 ILE 86 -12.664 -7.587 5.663 655 3HG2 ILE 86 3HG2 ILE 86 -13.214 -8.900 4.628 656 1HD1 ILE 86 1HD1 ILE 86 -11.643 -8.018 1.100 657 2HD1 ILE 86 2HD1 ILE 86 -10.065 -7.329 1.486 658 3HD1 ILE 86 3HD1 ILE 86 -11.299 -6.332 0.716 659 HA PRO 87 HA PRO 87 -9.804 -4.164 7.227 660 1HB PRO 87 1HB PRO 87 -8.012 -2.539 5.966 661 2HB PRO 87 2HB PRO 87 -7.535 -3.840 7.063 662 1HG PRO 87 1HG PRO 87 -7.630 -3.826 4.070 663 2HG PRO 87 2HG PRO 87 -6.375 -4.470 5.145 664 1HD PRO 87 1HD PRO 87 -8.199 -6.064 3.970 665 2HD PRO 87 2HD PRO 87 -7.575 -6.391 5.598 666 H LEU 88 H LEU 88 -12.016 -3.911 6.322 667 HA LEU 88 HA LEU 88 -12.168 -1.961 4.154 668 1HB LEU 88 1HB LEU 88 -13.581 -4.066 4.163 669 2HB LEU 88 2HB LEU 88 -14.503 -3.328 5.462 670 HG LEU 88 HG LEU 88 -14.177 -1.620 3.092 671 1HD1 LEU 88 1HD1 LEU 88 -16.249 -3.658 2.679 672 2HD1 LEU 88 2HD1 LEU 88 -14.590 -4.211 2.449 673 3HD1 LEU 88 3HD1 LEU 88 -15.201 -2.843 1.518 674 1HD2 LEU 88 1HD2 LEU 88 -16.247 -2.296 5.108 675 2HD2 LEU 88 2HD2 LEU 88 -16.788 -1.681 3.546 676 3HD2 LEU 88 3HD2 LEU 88 -15.688 -0.723 4.538 677 H VAL 89 H VAL 89 -13.155 -0.023 4.266 678 HA VAL 89 HA VAL 89 -14.023 0.913 6.917 679 HB VAL 89 HB VAL 89 -12.883 3.138 6.302 680 1HG1 VAL 89 1HG1 VAL 89 -11.234 0.736 7.077 681 2HG1 VAL 89 2HG1 VAL 89 -12.171 1.762 8.163 682 3HG1 VAL 89 3HG1 VAL 89 -10.765 2.417 7.325 683 1HG2 VAL 89 1HG2 VAL 89 -11.450 3.275 4.580 684 2HG2 VAL 89 2HG2 VAL 89 -12.271 1.836 3.978 685 3HG2 VAL 89 3HG2 VAL 89 -10.773 1.677 4.893 686 H HIS 90 H HIS 90 -15.525 2.614 6.902 687 HA HIS 90 HA HIS 90 -17.149 2.721 4.519 688 1HB HIS 90 1HB HIS 90 -17.427 3.594 7.355 689 2HB HIS 90 2HB HIS 90 -18.399 4.432 6.150 690 HD1 HIS 90 HD1 HIS 90 -19.600 2.606 8.404 691 HD2 HIS 90 HD2 HIS 90 -18.854 1.444 4.466 692 HE1 HIS 90 HE1 HIS 90 -21.144 0.647 7.939 693 HE2 HIS 90 HE2 HIS 90 -20.738 0.035 5.530 694 H GLY 91 H GLY 91 -17.487 4.478 3.195 695 1HA GLY 91 1HA GLY 91 -15.719 6.800 3.668 696 2HA GLY 91 2HA GLY 91 -16.065 6.159 2.070 697 H MET 92 H MET 92 -18.782 6.081 4.075 698 HA MET 92 HA MET 92 -20.321 7.773 2.513 699 1HB MET 92 1HB MET 92 -20.930 6.044 4.416 700 2HB MET 92 2HB MET 92 -20.971 7.495 5.410 701 1HG MET 92 1HG MET 92 -22.545 7.116 2.876 702 2HG MET 92 2HG MET 92 -23.173 6.838 4.498 703 1HE MET 92 1HE MET 92 -25.217 8.619 3.951 704 2HE MET 92 2HE MET 92 -24.915 10.036 4.957 705 3HE MET 92 3HE MET 92 -24.564 8.423 5.577 706 HA PRO 93 HA PRO 93 -19.524 11.282 5.738 707 1HB PRO 93 1HB PRO 93 -17.268 11.132 7.225 708 2HB PRO 93 2HB PRO 93 -18.806 10.439 7.753 709 1HG PRO 93 1HG PRO 93 -16.447 9.086 6.501 710 2HG PRO 93 2HG PRO 93 -17.459 8.548 7.855 711 1HD PRO 93 1HD PRO 93 -17.748 7.613 5.326 712 2HD PRO 93 2HD PRO 93 -19.102 7.735 6.465 713 H PHE 94 H PHE 94 -16.672 9.737 4.336 714 HA PHE 94 HA PHE 94 -15.282 12.173 3.852 715 1HB PHE 94 1HB PHE 94 -14.428 9.690 3.973 716 2HB PHE 94 2HB PHE 94 -14.760 9.706 2.244 717 HD1 PHE 94 HD1 PHE 94 -12.686 9.696 1.238 718 HD2 PHE 94 HD2 PHE 94 -13.428 12.411 4.426 719 HE1 PHE 94 HE1 PHE 94 -10.516 10.767 0.832 720 HE2 PHE 94 HE2 PHE 94 -11.251 13.485 4.024 721 HZ PHE 94 HZ PHE 94 -9.792 12.661 2.229 722 H VAL 95 H VAL 95 -17.463 10.174 1.936 723 HA VAL 95 HA VAL 95 -17.054 11.585 -0.510 724 HB VAL 95 HB VAL 95 -19.452 9.924 0.272 725 1HG1 VAL 95 1HG1 VAL 95 -19.793 9.630 -2.088 726 2HG1 VAL 95 2HG1 VAL 95 -18.314 10.518 -2.456 727 3HG1 VAL 95 3HG1 VAL 95 -19.692 11.357 -1.743 728 1HG2 VAL 95 1HG2 VAL 95 -17.603 8.539 -1.415 729 2HG2 VAL 95 2HG2 VAL 95 -18.197 8.093 0.183 730 3HG2 VAL 95 3HG2 VAL 95 -16.763 9.108 0.028 731 H SER 96 H SER 96 -18.935 12.169 2.310 732 HA SER 96 HA SER 96 -21.082 13.639 1.376 733 1HB SER 96 1HB SER 96 -21.052 13.170 3.685 734 2HB SER 96 2HB SER 96 -19.435 13.844 3.889 735 HG SER 96 HG SER 96 -21.472 15.109 4.512 736 H GLY 97 H GLY 97 -17.746 14.638 1.863 737 1HA GLY 97 1HA GLY 97 -16.672 16.327 0.620 738 2HA GLY 97 2HA GLY 97 -18.241 16.970 0.175 739 H VAL 98 H VAL 98 -18.652 16.532 3.325 740 HA VAL 98 HA VAL 98 -17.645 19.220 3.981 741 HB VAL 98 HB VAL 98 -19.929 17.779 5.323 742 1HG1 VAL 98 1HG1 VAL 98 -20.430 20.294 5.853 743 2HG1 VAL 98 2HG1 VAL 98 -18.701 20.486 5.559 744 3HG1 VAL 98 3HG1 VAL 98 -19.265 19.390 6.821 745 1HG2 VAL 98 1HG2 VAL 98 -19.835 19.465 2.879 746 2HG2 VAL 98 2HG2 VAL 98 -21.190 19.687 3.987 747 3HG2 VAL 98 3HG2 VAL 98 -20.882 18.103 3.276 748 H GLY 99 H GLY 99 -16.978 16.028 4.555 749 1HA GLY 99 1HA GLY 99 -15.906 16.645 7.240 750 2HA GLY 99 2HA GLY 99 -16.515 15.057 6.799 751 H ILE 100 H ILE 100 -14.845 16.569 4.267 752 HA ILE 100 HA ILE 100 -12.830 14.607 4.190 753 HB ILE 100 HB ILE 100 -12.948 17.285 2.797 754 1HG1 ILE 100 1HG1 ILE 100 -13.497 14.618 1.535 755 2HG1 ILE 100 2HG1 ILE 100 -14.768 15.461 2.417 756 1HG2 ILE 100 1HG2 ILE 100 -10.720 16.708 2.599 757 2HG2 ILE 100 2HG2 ILE 100 -11.422 15.991 1.149 758 3HG2 ILE 100 3HG2 ILE 100 -11.064 14.979 2.547 759 1HD1 ILE 100 1HD1 ILE 100 -15.094 16.107 0.217 760 2HD1 ILE 100 2HD1 ILE 100 -13.369 16.264 -0.098 761 3HD1 ILE 100 3HD1 ILE 100 -14.195 17.458 0.906 762 H GLU 101 H GLU 101 -12.681 18.060 5.050 763 HA GLU 101 HA GLU 101 -10.001 18.323 5.555 764 1HB GLU 101 1HB GLU 101 -12.448 19.662 6.488 765 2HB GLU 101 2HB GLU 101 -11.057 19.859 7.546 766 1HG GLU 101 1HG GLU 101 -10.676 21.624 6.203 767 2HG GLU 101 2HG GLU 101 -9.884 20.399 5.214 768 H ALA 102 H ALA 102 -12.479 17.165 7.830 769 HA ALA 102 HA ALA 102 -10.611 16.746 9.946 770 1HB ALA 102 1HB ALA 102 -13.473 15.955 9.526 771 2HB ALA 102 2HB ALA 102 -12.802 17.136 10.650 772 3HB ALA 102 3HB ALA 102 -12.558 15.413 10.933 773 H LEU 103 H LEU 103 -12.195 14.595 7.593 774 HA LEU 103 HA LEU 103 -11.101 12.202 8.607 775 1HB LEU 103 1HB LEU 103 -12.793 12.934 6.472 776 2HB LEU 103 2HB LEU 103 -11.458 12.053 5.758 777 HG LEU 103 HG LEU 103 -12.167 10.518 7.957 778 1HD1 LEU 103 1HD1 LEU 103 -14.572 11.784 6.707 779 2HD1 LEU 103 2HD1 LEU 103 -14.215 11.510 8.411 780 3HD1 LEU 103 3HD1 LEU 103 -14.651 10.153 7.373 781 1HD2 LEU 103 1HD2 LEU 103 -13.480 9.449 5.713 782 2HD2 LEU 103 2HD2 LEU 103 -11.882 9.039 6.334 783 3HD2 LEU 103 3HD2 LEU 103 -12.054 10.292 5.108 784 H GLN 104 H GLN 104 -9.983 14.443 6.106 785 HA GLN 104 HA GLN 104 -7.863 13.079 5.041 786 1HB GLN 104 1HB GLN 104 -8.723 15.361 4.409 787 2HB GLN 104 2HB GLN 104 -7.814 16.008 5.766 788 1HG GLN 104 1HG GLN 104 -5.750 15.049 4.725 789 2HG GLN 104 2HG GLN 104 -6.732 14.664 3.313 790 1HE2 GLN 104 1HE2 GLN 104 -7.922 16.496 2.348 791 2HE2 GLN 104 2HE2 GLN 104 -7.135 18.033 2.299 792 H ASN 105 H ASN 105 -7.724 15.246 7.869 793 HA ASN 105 HA ASN 105 -5.058 14.858 8.514 794 1HB ASN 105 1HB ASN 105 -7.395 15.982 9.795 795 2HB ASN 105 2HB ASN 105 -6.379 15.151 10.969 796 1HD2 ASN 105 1HD2 ASN 105 -6.755 17.892 8.976 797 2HD2 ASN 105 2HD2 ASN 105 -5.280 18.686 9.394 798 H LYS 106 H LYS 106 -7.871 12.884 9.360 799 HA LYS 106 HA LYS 106 -6.506 11.185 11.177 800 1HB LYS 106 1HB LYS 106 -9.144 11.315 9.932 801 2HB LYS 106 2HB LYS 106 -8.575 9.663 10.132 802 1HG LYS 106 1HG LYS 106 -9.886 10.348 12.044 803 2HG LYS 106 2HG LYS 106 -8.208 10.081 12.516 804 1HD LYS 106 1HD LYS 106 -8.688 12.825 11.701 805 2HD LYS 106 2HD LYS 106 -9.737 12.338 13.033 806 1HE LYS 106 1HE LYS 106 -7.280 11.316 13.754 807 2HE LYS 106 2HE LYS 106 -6.870 12.854 12.997 808 1HZ LYS 106 1HZ LYS 106 -7.715 12.499 15.564 809 2HZ LYS 106 2HZ LYS 106 -9.097 13.076 14.779 810 3HZ LYS 106 3HZ LYS 106 -7.663 13.971 14.731 811 H ILE 107 H ILE 107 -7.112 11.019 7.691 812 HA ILE 107 HA ILE 107 -6.176 8.402 7.280 813 HB ILE 107 HB ILE 107 -5.923 10.644 5.282 814 1HG1 ILE 107 1HG1 ILE 107 -8.202 10.675 6.071 815 2HG1 ILE 107 2HG1 ILE 107 -8.177 9.922 4.484 816 1HG2 ILE 107 1HG2 ILE 107 -4.774 8.652 4.608 817 2HG2 ILE 107 2HG2 ILE 107 -6.255 8.790 3.660 818 3HG2 ILE 107 3HG2 ILE 107 -6.173 7.654 5.006 819 1HD1 ILE 107 1HD1 ILE 107 -8.347 8.476 7.116 820 2HD1 ILE 107 2HD1 ILE 107 -8.330 7.723 5.522 821 3HD1 ILE 107 3HD1 ILE 107 -9.677 8.759 5.993 822 H LEU 108 H LEU 108 -4.441 11.492 6.710 823 HA LEU 108 HA LEU 108 -1.986 10.398 6.067 824 1HB LEU 108 1HB LEU 108 -0.988 12.535 6.919 825 2HB LEU 108 2HB LEU 108 -2.254 12.711 5.723 826 HG LEU 108 HG LEU 108 -3.756 12.995 7.907 827 1HD1 LEU 108 1HD1 LEU 108 -1.325 14.410 8.862 828 2HD1 LEU 108 2HD1 LEU 108 -1.467 12.686 9.198 829 3HD1 LEU 108 3HD1 LEU 108 -2.710 13.800 9.768 830 1HD2 LEU 108 1HD2 LEU 108 -2.019 15.145 6.697 831 2HD2 LEU 108 2HD2 LEU 108 -3.481 15.420 7.641 832 3HD2 LEU 108 3HD2 LEU 108 -3.578 14.598 6.084 833 H THR 109 H THR 109 -3.262 11.145 9.295 834 HA THR 109 HA THR 109 -0.973 10.617 10.782 835 HB THR 109 HB THR 109 -3.838 10.024 11.548 836 HG1 THR 109 HG1 THR 109 -2.254 12.359 11.783 837 1HG2 THR 109 1HG2 THR 109 -2.129 10.940 13.674 838 2HG2 THR 109 2HG2 THR 109 -1.535 9.431 12.979 839 3HG2 THR 109 3HG2 THR 109 -3.183 9.528 13.600 840 H ILE 110 H ILE 110 -3.445 8.369 9.584 841 HA ILE 110 HA ILE 110 -2.130 6.091 10.790 842 HB ILE 110 HB ILE 110 -4.397 6.158 8.791 843 1HG1 ILE 110 1HG1 ILE 110 -4.665 5.638 11.740 844 2HG1 ILE 110 2HG1 ILE 110 -4.687 7.282 11.111 845 1HG2 ILE 110 1HG2 ILE 110 -3.650 3.917 10.655 846 2HG2 ILE 110 2HG2 ILE 110 -3.068 4.018 8.993 847 3HG2 ILE 110 3HG2 ILE 110 -4.796 3.886 9.315 848 1HD1 ILE 110 1HD1 ILE 110 -6.856 7.040 10.764 849 2HD1 ILE 110 2HD1 ILE 110 -6.779 5.329 11.183 850 3HD1 ILE 110 3HD1 ILE 110 -6.479 5.845 9.524 851 H LEU 111 H LEU 111 -2.377 7.578 7.624 852 HA LEU 111 HA LEU 111 -1.053 5.445 6.246 853 1HB LEU 111 1HB LEU 111 -1.886 8.234 5.523 854 2HB LEU 111 2HB LEU 111 -0.877 7.295 4.442 855 HG LEU 111 HG LEU 111 -3.411 7.310 4.038 856 1HD1 LEU 111 1HD1 LEU 111 -2.777 4.494 4.114 857 2HD1 LEU 111 2HD1 LEU 111 -1.415 5.448 3.528 858 3HD1 LEU 111 3HD1 LEU 111 -2.984 5.569 2.731 859 1HD2 LEU 111 1HD2 LEU 111 -4.586 6.798 5.893 860 2HD2 LEU 111 2HD2 LEU 111 -3.272 5.872 6.610 861 3HD2 LEU 111 3HD2 LEU 111 -4.284 5.143 5.373 862 H GLN 112 H GLN 112 0.028 7.884 8.285 863 HA GLN 112 HA GLN 112 2.654 8.079 7.009 864 1HB GLN 112 1HB GLN 112 1.246 9.645 9.142 865 2HB GLN 112 2HB GLN 112 2.996 9.727 8.997 866 1HG GLN 112 1HG GLN 112 2.448 10.229 6.484 867 2HG GLN 112 2HG GLN 112 0.892 10.719 7.149 868 1HE2 GLN 112 1HE2 GLN 112 1.628 11.807 9.538 869 2HE2 GLN 112 2HE2 GLN 112 2.582 13.223 9.269 870 H GLY 113 H GLY 113 1.136 6.104 9.196 871 1HA GLY 113 1HA GLY 113 2.360 4.289 10.181 872 2HA GLY 113 2HA GLY 113 3.718 5.381 10.408 Start of MODEL 6 1 1H MET 1 1H MET 1 13.984 20.169 1.372 2 2H MET 1 2H MET 1 13.174 21.579 0.829 3 3H MET 1 3H MET 1 14.109 21.624 2.264 4 HA MET 1 HA MET 1 15.914 22.080 1.198 5 1HB MET 1 1HB MET 1 16.737 20.622 -0.623 6 2HB MET 1 2HB MET 1 16.204 19.712 0.782 7 1HG MET 1 1HG MET 1 14.045 20.047 -1.087 8 2HG MET 1 2HG MET 1 15.452 19.340 -1.875 9 1HE MET 1 1HE MET 1 15.850 16.236 -1.315 10 2HE MET 1 2HE MET 1 16.393 16.489 0.343 11 3HE MET 1 3HE MET 1 16.816 17.655 -0.910 12 H GLY 2 H GLY 2 13.142 21.625 -0.970 13 1HA GLY 2 1HA GLY 2 12.908 24.152 -1.905 14 2HA GLY 2 2HA GLY 2 14.172 23.480 -2.926 15 H SER 3 H SER 3 13.661 21.685 -4.292 16 HA SER 3 HA SER 3 11.065 20.601 -4.497 17 1HB SER 3 1HB SER 3 11.604 23.085 -6.007 18 2HB SER 3 2HB SER 3 10.870 21.775 -6.933 19 HG SER 3 HG SER 3 9.124 22.635 -6.073 20 H SER 4 H SER 4 10.986 18.902 -5.894 21 HA SER 4 HA SER 4 12.874 18.493 -7.995 22 1HB SER 4 1HB SER 4 14.418 17.966 -6.245 23 2HB SER 4 2HB SER 4 13.227 16.974 -5.408 24 HG SER 4 HG SER 4 13.695 16.163 -7.984 25 H HIS 5 H HIS 5 10.107 17.613 -6.191 26 HA HIS 5 HA HIS 5 8.353 16.239 -6.605 27 1HB HIS 5 1HB HIS 5 9.580 16.432 -9.346 28 2HB HIS 5 2HB HIS 5 8.155 15.443 -9.050 29 HD1 HIS 5 HD1 HIS 5 8.657 18.338 -10.649 30 HD2 HIS 5 HD2 HIS 5 6.443 17.516 -7.200 31 HE1 HIS 5 HE1 HIS 5 6.947 20.201 -10.447 32 HE2 HIS 5 HE2 HIS 5 5.691 19.725 -8.315 33 H HIS 6 H HIS 6 7.865 13.948 -7.744 34 HA HIS 6 HA HIS 6 9.398 12.074 -6.303 35 1HB HIS 6 1HB HIS 6 7.019 12.064 -7.915 36 2HB HIS 6 2HB HIS 6 8.037 10.703 -8.372 37 HD1 HIS 6 HD1 HIS 6 5.486 9.905 -7.147 38 HD2 HIS 6 HD2 HIS 6 8.828 10.868 -4.829 39 HE1 HIS 6 HE1 HIS 6 5.139 8.774 -4.903 40 HE2 HIS 6 HE2 HIS 6 7.241 9.243 -3.596 41 H HIS 7 H HIS 7 10.223 10.017 -7.527 42 HA HIS 7 HA HIS 7 12.567 10.724 -8.872 43 1HB HIS 7 1HB HIS 7 11.083 8.132 -8.545 44 2HB HIS 7 2HB HIS 7 12.529 8.216 -9.545 45 HD1 HIS 7 HD1 HIS 7 13.724 6.598 -7.878 46 HD2 HIS 7 HD2 HIS 7 12.583 10.285 -6.271 47 HE1 HIS 7 HE1 HIS 7 14.960 6.820 -5.674 48 HE2 HIS 7 HE2 HIS 7 14.191 9.012 -4.695 49 H HIS 8 H HIS 8 12.057 12.090 -10.603 50 HA HIS 8 HA HIS 8 11.559 12.651 -12.751 51 1HB HIS 8 1HB HIS 8 12.786 10.130 -12.811 52 2HB HIS 8 2HB HIS 8 11.416 10.001 -13.908 53 HD1 HIS 8 HD1 HIS 8 11.544 12.992 -14.938 54 HD2 HIS 8 HD2 HIS 8 14.737 10.300 -14.752 55 HE1 HIS 8 HE1 HIS 8 13.244 13.796 -16.640 56 HE2 HIS 8 HE2 HIS 8 15.191 12.207 -16.440 57 H HIS 9 H HIS 9 10.081 11.619 -14.752 58 HA HIS 9 HA HIS 9 7.427 11.244 -13.525 59 1HB HIS 9 1HB HIS 9 8.126 12.656 -16.108 60 2HB HIS 9 2HB HIS 9 6.495 12.413 -15.491 61 HD1 HIS 9 HD1 HIS 9 5.675 13.936 -13.613 62 HD2 HIS 9 HD2 HIS 9 9.643 14.614 -14.744 63 HE1 HIS 9 HE1 HIS 9 6.359 16.117 -12.514 64 HE2 HIS 9 HE2 HIS 9 8.723 16.539 -13.281 65 H HIS 10 H HIS 10 6.187 9.587 -14.195 66 HA HIS 10 HA HIS 10 5.718 7.536 -15.080 67 1HB HIS 10 1HB HIS 10 5.020 9.045 -16.916 68 2HB HIS 10 2HB HIS 10 6.622 8.889 -17.630 69 HD1 HIS 10 HD1 HIS 10 7.296 6.323 -18.302 70 HD2 HIS 10 HD2 HIS 10 3.239 7.187 -17.777 71 HE1 HIS 10 HE1 HIS 10 6.024 4.453 -19.447 72 HE2 HIS 10 HE2 HIS 10 3.588 5.046 -19.188 73 H HIS 11 H HIS 11 7.399 6.422 -13.988 74 HA HIS 11 HA HIS 11 9.960 6.059 -15.246 75 1HB HIS 11 1HB HIS 11 10.281 4.379 -13.378 76 2HB HIS 11 2HB HIS 11 9.944 6.028 -12.865 77 HD1 HIS 11 HD1 HIS 11 7.715 3.044 -13.735 78 HD2 HIS 11 HD2 HIS 11 8.263 5.935 -10.766 79 HE1 HIS 11 HE1 HIS 11 5.914 2.623 -12.002 80 HE2 HIS 11 HE2 HIS 11 6.214 4.434 -10.275 81 H HIS 12 H HIS 12 10.605 3.471 -15.013 82 HA HIS 12 HA HIS 12 9.220 2.282 -17.236 83 1HB HIS 12 1HB HIS 12 11.757 1.924 -15.858 84 2HB HIS 12 2HB HIS 12 10.995 0.382 -16.232 85 HD1 HIS 12 HD1 HIS 12 9.726 1.120 -18.963 86 HD2 HIS 12 HD2 HIS 12 13.648 2.016 -17.825 87 HE1 HIS 12 HE1 HIS 12 11.037 1.410 -21.116 88 HE2 HIS 12 HE2 HIS 12 13.409 1.868 -20.396 89 H GLU 13 H GLU 13 9.309 -0.415 -16.711 90 HA GLU 13 HA GLU 13 8.142 -2.134 -15.790 91 1HB GLU 13 1HB GLU 13 7.797 -0.437 -13.319 92 2HB GLU 13 2HB GLU 13 7.784 -2.192 -13.435 93 1HG GLU 13 1HG GLU 13 10.192 -0.488 -14.015 94 2HG GLU 13 2HG GLU 13 9.853 -1.223 -12.450 95 H ASN 14 H ASN 14 6.312 -2.277 -16.951 96 HA ASN 14 HA ASN 14 4.200 -0.346 -16.729 97 1HB ASN 14 1HB ASN 14 4.396 -2.987 -18.185 98 2HB ASN 14 2HB ASN 14 2.980 -1.943 -18.255 99 1HD2 ASN 14 1HD2 ASN 14 3.041 -0.084 -19.451 100 2HD2 ASN 14 2HD2 ASN 14 4.343 0.315 -20.514 101 H LEU 15 H LEU 15 3.855 -3.875 -16.469 102 HA LEU 15 HA LEU 15 2.306 -3.465 -14.000 103 1HB LEU 15 1HB LEU 15 1.601 -5.286 -16.302 104 2HB LEU 15 2HB LEU 15 0.763 -5.250 -14.762 105 HG LEU 15 HG LEU 15 0.843 -2.596 -15.857 106 1HD1 LEU 15 1HD1 LEU 15 0.200 -2.772 -17.989 107 2HD1 LEU 15 2HD1 LEU 15 -0.849 -4.150 -17.659 108 3HD1 LEU 15 3HD1 LEU 15 0.878 -4.398 -17.912 109 1HD2 LEU 15 1HD2 LEU 15 -1.331 -2.559 -15.192 110 2HD2 LEU 15 2HD2 LEU 15 -0.781 -3.946 -14.249 111 3HD2 LEU 15 3HD2 LEU 15 -1.651 -4.198 -15.763 112 H TYR 16 H TYR 16 4.400 -4.049 -13.034 113 HA TYR 16 HA TYR 16 4.612 -6.963 -12.785 114 1HB TYR 16 1HB TYR 16 6.942 -5.075 -13.163 115 2HB TYR 16 2HB TYR 16 7.089 -6.772 -12.716 116 HD1 TYR 16 HD1 TYR 16 7.763 -4.829 -15.306 117 HD2 TYR 16 HD2 TYR 16 5.211 -8.122 -14.447 118 HE1 TYR 16 HE1 TYR 16 7.769 -5.444 -17.686 119 HE2 TYR 16 HE2 TYR 16 5.209 -8.749 -16.825 120 HH TYR 16 HH TYR 16 7.005 -8.281 -18.854 121 H PHE 17 H PHE 17 3.893 -4.247 -11.215 122 HA PHE 17 HA PHE 17 3.823 -3.621 -9.036 123 1HB PHE 17 1HB PHE 17 4.677 -6.487 -8.569 124 2HB PHE 17 2HB PHE 17 4.076 -5.395 -7.328 125 HD1 PHE 17 HD1 PHE 17 2.908 -6.278 -10.782 126 HD2 PHE 17 HD2 PHE 17 1.988 -6.014 -6.633 127 HE1 PHE 17 HE1 PHE 17 0.616 -7.007 -11.252 128 HE2 PHE 17 HE2 PHE 17 -0.314 -6.749 -7.103 129 HZ PHE 17 HZ PHE 17 -0.999 -7.246 -9.417 130 H GLN 18 H GLN 18 6.393 -3.530 -10.640 131 HA GLN 18 HA GLN 18 8.440 -3.750 -8.592 132 1HB GLN 18 1HB GLN 18 8.520 -2.946 -11.498 133 2HB GLN 18 2HB GLN 18 9.929 -2.867 -10.450 134 1HG GLN 18 1HG GLN 18 8.644 -5.449 -10.297 135 2HG GLN 18 2HG GLN 18 9.074 -5.034 -11.955 136 1HE2 GLN 18 1HE2 GLN 18 10.321 -7.129 -10.989 137 2HE2 GLN 18 2HE2 GLN 18 11.959 -6.777 -10.564 138 H GLY 19 H GLY 19 6.135 -1.647 -8.729 139 1HA GLY 19 1HA GLY 19 7.734 0.500 -7.658 140 2HA GLY 19 2HA GLY 19 6.931 0.898 -9.170 141 H SER 20 H SER 20 6.124 -0.691 -6.083 142 HA SER 20 HA SER 20 4.071 1.215 -5.507 143 1HB SER 20 1HB SER 20 3.112 -1.603 -6.017 144 2HB SER 20 2HB SER 20 2.141 -0.160 -5.729 145 HG SER 20 HG SER 20 3.072 -1.133 -8.052 146 H LYS 21 H LYS 21 2.868 0.606 -3.494 147 HA LYS 21 HA LYS 21 4.478 -1.168 -1.781 148 1HB LYS 21 1HB LYS 21 3.202 1.397 -0.834 149 2HB LYS 21 2HB LYS 21 4.335 0.375 0.039 150 1HG LYS 21 1HG LYS 21 5.537 1.203 -2.412 151 2HG LYS 21 2HG LYS 21 4.885 2.617 -1.579 152 1HD LYS 21 1HD LYS 21 7.014 2.448 -0.680 153 2HD LYS 21 2HD LYS 21 6.032 1.597 0.514 154 1HE LYS 21 1HE LYS 21 7.054 -0.077 -1.672 155 2HE LYS 21 2HE LYS 21 8.293 0.607 -0.621 156 1HZ LYS 21 1HZ LYS 21 7.544 -1.548 0.172 157 2HZ LYS 21 2HZ LYS 21 5.952 -0.984 0.280 158 3HZ LYS 21 3HZ LYS 21 7.148 -0.336 1.285 159 H ARG 22 H ARG 22 1.390 0.584 -1.985 160 HA ARG 22 HA ARG 22 0.051 -1.802 -0.901 161 1HB ARG 22 1HB ARG 22 -0.618 1.061 -0.202 162 2HB ARG 22 2HB ARG 22 -1.396 -0.375 0.436 163 1HG ARG 22 1HG ARG 22 0.140 -0.607 2.020 164 2HG ARG 22 2HG ARG 22 1.457 -0.461 0.856 165 1HD ARG 22 1HD ARG 22 1.673 1.311 2.435 166 2HD ARG 22 2HD ARG 22 1.131 2.010 0.911 167 HE ARG 22 HE ARG 22 -1.185 1.820 2.024 168 1HH1 ARG 22 1HH1 ARG 22 1.792 2.566 3.700 169 2HH1 ARG 22 2HH1 ARG 22 1.002 3.468 4.947 170 1HH2 ARG 22 1HH2 ARG 22 -2.211 3.016 3.658 171 2HH2 ARG 22 2HH2 ARG 22 -1.265 3.726 4.924 172 H LYS 23 H LYS 23 -2.198 -2.035 -1.508 173 HA LYS 23 HA LYS 23 -2.975 -0.431 -3.854 174 1HB LYS 23 1HB LYS 23 -3.502 -3.392 -3.632 175 2HB LYS 23 2HB LYS 23 -3.702 -2.360 -5.040 176 1HG LYS 23 1HG LYS 23 -1.109 -1.990 -4.694 177 2HG LYS 23 2HG LYS 23 -1.241 -3.558 -3.896 178 1HD LYS 23 1HD LYS 23 -1.891 -4.637 -5.836 179 2HD LYS 23 2HD LYS 23 -2.483 -3.152 -6.584 180 1HE LYS 23 1HE LYS 23 0.067 -2.474 -6.405 181 2HE LYS 23 2HE LYS 23 0.287 -4.223 -6.403 182 1HZ LYS 23 1HZ LYS 23 -0.033 -2.629 -8.604 183 2HZ LYS 23 2HZ LYS 23 -1.537 -3.384 -8.432 184 3HZ LYS 23 3HZ LYS 23 -0.133 -4.318 -8.569 185 H ILE 24 H ILE 24 -4.754 0.663 -3.323 186 HA ILE 24 HA ILE 24 -6.652 -0.526 -1.432 187 HB ILE 24 HB ILE 24 -6.744 2.305 -2.430 188 1HG1 ILE 24 1HG1 ILE 24 -5.211 1.265 -0.040 189 2HG1 ILE 24 2HG1 ILE 24 -4.492 1.884 -1.519 190 1HG2 ILE 24 1HG2 ILE 24 -7.528 2.040 0.268 191 2HG2 ILE 24 2HG2 ILE 24 -8.302 0.733 -0.628 192 3HG2 ILE 24 3HG2 ILE 24 -8.538 2.407 -1.131 193 1HD1 ILE 24 1HD1 ILE 24 -4.826 3.356 0.674 194 2HD1 ILE 24 2HD1 ILE 24 -6.372 3.671 -0.113 195 3HD1 ILE 24 3HD1 ILE 24 -4.864 4.035 -0.953 196 H ILE 25 H ILE 25 -8.919 -0.630 -1.874 197 HA ILE 25 HA ILE 25 -9.588 -0.419 -4.727 198 HB ILE 25 HB ILE 25 -11.251 -2.089 -2.908 199 1HG1 ILE 25 1HG1 ILE 25 -8.686 -3.080 -4.179 200 2HG1 ILE 25 2HG1 ILE 25 -8.979 -2.893 -2.452 201 1HG2 ILE 25 1HG2 ILE 25 -12.288 -2.304 -4.856 202 2HG2 ILE 25 2HG2 ILE 25 -10.953 -3.344 -5.350 203 3HG2 ILE 25 3HG2 ILE 25 -10.931 -1.627 -5.747 204 1HD1 ILE 25 1HD1 ILE 25 -9.991 -4.948 -4.334 205 2HD1 ILE 25 2HD1 ILE 25 -11.006 -4.480 -2.970 206 3HD1 ILE 25 3HD1 ILE 25 -9.388 -5.117 -2.684 207 H VAL 26 H VAL 26 -11.562 0.473 -5.305 208 HA VAL 26 HA VAL 26 -13.071 1.725 -3.094 209 HB VAL 26 HB VAL 26 -12.595 2.992 -5.796 210 1HG1 VAL 26 1HG1 VAL 26 -13.573 4.998 -4.524 211 2HG1 VAL 26 2HG1 VAL 26 -14.175 3.801 -3.376 212 3HG1 VAL 26 3HG1 VAL 26 -14.685 3.741 -5.063 213 1HG2 VAL 26 1HG2 VAL 26 -11.623 4.300 -3.342 214 2HG2 VAL 26 2HG2 VAL 26 -10.891 4.197 -4.942 215 3HG2 VAL 26 3HG2 VAL 26 -10.758 2.841 -3.823 216 H ALA 27 H ALA 27 -15.021 0.829 -2.980 217 HA ALA 27 HA ALA 27 -16.304 -0.007 -5.490 218 1HB ALA 27 1HB ALA 27 -15.700 -1.776 -3.746 219 2HB ALA 27 2HB ALA 27 -17.342 -1.792 -4.392 220 3HB ALA 27 3HB ALA 27 -17.026 -1.106 -2.798 221 H CYS 28 H CYS 28 -18.010 1.063 -6.111 222 HA CYS 28 HA CYS 28 -20.019 1.967 -4.262 223 1HB CYS 28 1HB CYS 28 -17.993 3.834 -5.328 224 2HB CYS 28 2HB CYS 28 -19.661 4.378 -5.467 225 HG CYS 28 HG CYS 28 -19.549 5.012 -3.118 226 H GLY 29 H GLY 29 -21.913 2.807 -5.331 227 1HA GLY 29 1HA GLY 29 -22.177 1.699 -8.024 228 2HA GLY 29 2HA GLY 29 -23.496 2.162 -6.960 229 H GLY 30 H GLY 30 -22.123 2.924 -9.782 230 1HA GLY 30 1HA GLY 30 -22.348 4.737 -11.176 231 2HA GLY 30 2HA GLY 30 -23.435 5.427 -9.981 232 H ALA 31 H ALA 31 -22.507 7.489 -10.485 233 HA ALA 31 HA ALA 31 -20.045 7.973 -8.969 234 1HB ALA 31 1HB ALA 31 -19.944 9.761 -11.126 235 2HB ALA 31 2HB ALA 31 -20.305 8.181 -11.822 236 3HB ALA 31 3HB ALA 31 -18.877 8.393 -10.811 237 H VAL 32 H VAL 32 -21.981 10.094 -11.050 238 HA VAL 32 HA VAL 32 -22.932 12.131 -10.625 239 HB VAL 32 HB VAL 32 -23.962 10.734 -8.154 240 1HG1 VAL 32 1HG1 VAL 32 -25.953 12.321 -9.246 241 2HG1 VAL 32 2HG1 VAL 32 -24.492 13.295 -9.404 242 3HG1 VAL 32 3HG1 VAL 32 -24.980 12.687 -7.822 243 1HG2 VAL 32 1HG2 VAL 32 -25.801 9.930 -9.517 244 2HG2 VAL 32 2HG2 VAL 32 -24.269 9.352 -10.171 245 3HG2 VAL 32 3HG2 VAL 32 -25.108 10.696 -10.946 246 H ALA 33 H ALA 33 -20.370 12.358 -9.952 247 HA ALA 33 HA ALA 33 -18.923 13.677 -8.790 248 1HB ALA 33 1HB ALA 33 -20.834 15.284 -8.835 249 2HB ALA 33 2HB ALA 33 -19.761 15.472 -7.448 250 3HB ALA 33 3HB ALA 33 -21.320 14.670 -7.254 251 H THR 34 H THR 34 -18.981 11.113 -8.011 252 HA THR 34 HA THR 34 -18.441 11.316 -5.145 253 HB THR 34 HB THR 34 -20.024 9.006 -6.285 254 HG1 THR 34 HG1 THR 34 -21.178 11.071 -6.208 255 1HG2 THR 34 1HG2 THR 34 -20.557 9.128 -3.623 256 2HG2 THR 34 2HG2 THR 34 -18.851 9.572 -3.675 257 3HG2 THR 34 3HG2 THR 34 -19.388 8.045 -4.378 258 H SER 35 H SER 35 -18.354 9.163 -7.978 259 HA SER 35 HA SER 35 -16.220 7.570 -7.000 260 1HB SER 35 1HB SER 35 -17.733 6.687 -8.679 261 2HB SER 35 2HB SER 35 -17.267 7.955 -9.811 262 HG SER 35 HG SER 35 -15.218 6.386 -8.776 263 H THR 36 H THR 36 -16.289 10.009 -9.604 264 HA THR 36 HA THR 36 -13.506 10.053 -10.004 265 HB THR 36 HB THR 36 -15.230 10.959 -11.583 266 HG1 THR 36 HG1 THR 36 -13.274 11.597 -12.163 267 1HG2 THR 36 1HG2 THR 36 -16.373 12.881 -11.279 268 2HG2 THR 36 2HG2 THR 36 -15.126 13.593 -10.255 269 3HG2 THR 36 3HG2 THR 36 -16.240 12.401 -9.587 270 H MET 37 H MET 37 -15.597 11.843 -7.824 271 HA MET 37 HA MET 37 -13.760 13.787 -6.991 272 1HB MET 37 1HB MET 37 -16.332 13.467 -6.489 273 2HB MET 37 2HB MET 37 -15.728 12.659 -5.047 274 1HG MET 37 1HG MET 37 -14.297 14.793 -4.750 275 2HG MET 37 2HG MET 37 -15.450 15.517 -5.868 276 1HE MET 37 1HE MET 37 -16.035 16.332 -1.832 277 2HE MET 37 2HE MET 37 -15.222 16.984 -3.255 278 3HE MET 37 3HE MET 37 -14.563 15.569 -2.432 279 H ALA 38 H ALA 38 -14.591 10.669 -5.463 280 HA ALA 38 HA ALA 38 -12.677 10.818 -3.416 281 1HB ALA 38 1HB ALA 38 -14.689 9.086 -4.078 282 2HB ALA 38 2HB ALA 38 -13.519 8.842 -2.782 283 3HB ALA 38 3HB ALA 38 -13.246 8.112 -4.364 284 H ALA 39 H ALA 39 -12.561 8.906 -6.418 285 HA ALA 39 HA ALA 39 -10.014 7.913 -6.240 286 1HB ALA 39 1HB ALA 39 -11.447 8.844 -8.722 287 2HB ALA 39 2HB ALA 39 -11.520 7.238 -7.997 288 3HB ALA 39 3HB ALA 39 -10.013 7.817 -8.708 289 H GLU 40 H GLU 40 -10.915 10.968 -7.853 290 HA GLU 40 HA GLU 40 -8.291 11.777 -8.430 291 1HB GLU 40 1HB GLU 40 -10.265 12.760 -9.503 292 2HB GLU 40 2HB GLU 40 -10.748 13.478 -7.974 293 1HG GLU 40 1HG GLU 40 -9.580 15.279 -8.486 294 2HG GLU 40 2HG GLU 40 -8.107 14.312 -8.436 295 H GLU 41 H GLU 41 -10.285 12.169 -5.561 296 HA GLU 41 HA GLU 41 -8.645 14.077 -4.258 297 1HB GLU 41 1HB GLU 41 -11.071 12.785 -3.709 298 2HB GLU 41 2HB GLU 41 -10.001 12.319 -2.399 299 1HG GLU 41 1HG GLU 41 -9.754 15.128 -2.917 300 2HG GLU 41 2HG GLU 41 -11.447 14.698 -2.677 301 H ILE 42 H ILE 42 -8.910 10.539 -3.836 302 HA ILE 42 HA ILE 42 -6.772 10.365 -1.996 303 HB ILE 42 HB ILE 42 -7.289 8.032 -3.771 304 1HG1 ILE 42 1HG1 ILE 42 -9.555 8.688 -3.525 305 2HG1 ILE 42 2HG1 ILE 42 -9.291 7.459 -2.299 306 1HG2 ILE 42 1HG2 ILE 42 -5.736 8.145 -1.754 307 2HG2 ILE 42 2HG2 ILE 42 -6.851 6.783 -1.847 308 3HG2 ILE 42 3HG2 ILE 42 -7.204 8.140 -0.777 309 1HD1 ILE 42 1HD1 ILE 42 -10.331 8.937 -0.975 310 2HD1 ILE 42 2HD1 ILE 42 -9.936 10.307 -2.014 311 3HD1 ILE 42 3HD1 ILE 42 -8.736 9.682 -0.882 312 H LYS 43 H LYS 43 -6.913 10.229 -5.507 313 HA LYS 43 HA LYS 43 -4.377 9.232 -6.051 314 1HB LYS 43 1HB LYS 43 -6.151 9.639 -7.750 315 2HB LYS 43 2HB LYS 43 -5.834 11.365 -7.623 316 1HG LYS 43 1HG LYS 43 -4.559 10.888 -9.439 317 2HG LYS 43 2HG LYS 43 -3.366 10.586 -8.173 318 1HD LYS 43 1HD LYS 43 -5.135 8.410 -9.255 319 2HD LYS 43 2HD LYS 43 -3.596 8.826 -10.010 320 1HE LYS 43 1HE LYS 43 -3.048 8.595 -7.277 321 2HE LYS 43 2HE LYS 43 -4.120 7.247 -7.654 322 1HZ LYS 43 1HZ LYS 43 -1.431 7.332 -8.081 323 2HZ LYS 43 2HZ LYS 43 -2.073 7.603 -9.622 324 3HZ LYS 43 3HZ LYS 43 -2.507 6.215 -8.757 325 H GLU 44 H GLU 44 -5.331 12.674 -5.887 326 HA GLU 44 HA GLU 44 -2.746 13.708 -6.110 327 1HB GLU 44 1HB GLU 44 -3.647 15.788 -5.254 328 2HB GLU 44 2HB GLU 44 -4.801 15.059 -6.362 329 1HG GLU 44 1HG GLU 44 -6.168 14.315 -4.547 330 2HG GLU 44 2HG GLU 44 -4.959 14.822 -3.367 331 H LEU 45 H LEU 45 -4.526 12.540 -3.313 332 HA LEU 45 HA LEU 45 -2.886 13.563 -1.292 333 1HB LEU 45 1HB LEU 45 -5.029 11.677 -1.516 334 2HB LEU 45 2HB LEU 45 -3.782 10.995 -0.490 335 HG LEU 45 HG LEU 45 -5.224 13.614 -0.067 336 1HD1 LEU 45 1HD1 LEU 45 -6.140 12.548 1.893 337 2HD1 LEU 45 2HD1 LEU 45 -5.214 11.083 1.569 338 3HD1 LEU 45 3HD1 LEU 45 -6.503 11.572 0.469 339 1HD2 LEU 45 1HD2 LEU 45 -2.766 13.578 0.581 340 2HD2 LEU 45 2HD2 LEU 45 -3.208 12.365 1.780 341 3HD2 LEU 45 3HD2 LEU 45 -3.915 13.979 1.856 342 H CYS 46 H CYS 46 -2.847 10.219 -2.560 343 HA CYS 46 HA CYS 46 -0.540 9.380 -1.296 344 1HB CYS 46 1HB CYS 46 -0.386 7.612 -2.942 345 2HB CYS 46 2HB CYS 46 -2.078 7.886 -2.541 346 HG CYS 46 HG CYS 46 -2.385 9.030 -4.853 347 H GLN 47 H GLN 47 -0.849 11.181 -4.308 348 HA GLN 47 HA GLN 47 1.910 11.021 -4.999 349 1HB GLN 47 1HB GLN 47 -0.189 11.601 -6.470 350 2HB GLN 47 2HB GLN 47 0.148 13.245 -5.948 351 1HG GLN 47 1HG GLN 47 2.405 13.075 -6.865 352 2HG GLN 47 2HG GLN 47 2.065 11.427 -7.391 353 1HE2 GLN 47 1HE2 GLN 47 2.596 14.192 -8.691 354 2HE2 GLN 47 2HE2 GLN 47 1.419 14.251 -9.955 355 H SER 48 H SER 48 -0.110 13.561 -3.540 356 HA SER 48 HA SER 48 1.819 15.531 -3.250 357 1HB SER 48 1HB SER 48 -0.806 14.971 -2.138 358 2HB SER 48 2HB SER 48 0.243 15.743 -0.952 359 HG SER 48 HG SER 48 -0.822 16.744 -3.298 360 H HIS 49 H HIS 49 1.043 12.830 -1.100 361 HA HIS 49 HA HIS 49 3.090 13.581 0.796 362 1HB HIS 49 1HB HIS 49 1.107 11.335 0.611 363 2HB HIS 49 2HB HIS 49 2.418 11.280 1.785 364 HD1 HIS 49 HD1 HIS 49 -0.237 13.823 0.741 365 HD2 HIS 49 HD2 HIS 49 1.645 12.309 4.153 366 HE1 HIS 49 HE1 HIS 49 -1.299 15.007 2.716 367 HE2 HIS 49 HE2 HIS 49 -0.089 14.136 4.747 368 H ASN 50 H ASN 50 3.119 12.031 -2.146 369 HA ASN 50 HA ASN 50 4.689 10.848 -3.274 370 1HB ASN 50 1HB ASN 50 6.454 11.327 -0.859 371 2HB ASN 50 2HB ASN 50 6.987 10.880 -2.477 372 1HD2 ASN 50 1HD2 ASN 50 6.147 12.445 -4.212 373 2HD2 ASN 50 2HD2 ASN 50 6.326 14.124 -3.846 374 H ILE 51 H ILE 51 2.797 9.415 -1.864 375 HA ILE 51 HA ILE 51 4.289 7.134 -0.751 376 HB ILE 51 HB ILE 51 1.347 7.772 -0.478 377 1HG1 ILE 51 1HG1 ILE 51 3.376 7.857 1.739 378 2HG1 ILE 51 2HG1 ILE 51 3.105 9.263 0.714 379 1HG2 ILE 51 1HG2 ILE 51 1.389 6.000 1.251 380 2HG2 ILE 51 2HG2 ILE 51 3.045 5.621 0.777 381 3HG2 ILE 51 3HG2 ILE 51 1.726 5.397 -0.372 382 1HD1 ILE 51 1HD1 ILE 51 1.838 9.084 2.938 383 2HD1 ILE 51 2HD1 ILE 51 0.822 7.913 2.094 384 3HD1 ILE 51 3HD1 ILE 51 0.945 9.568 1.497 385 HA PRO 52 HA PRO 52 3.321 5.540 -4.954 386 1HB PRO 52 1HB PRO 52 4.936 3.325 -3.791 387 2HB PRO 52 2HB PRO 52 5.069 4.108 -5.370 388 1HG PRO 52 1HG PRO 52 6.826 4.630 -3.436 389 2HG PRO 52 2HG PRO 52 6.259 5.909 -4.527 390 1HD PRO 52 1HD PRO 52 5.515 5.364 -1.690 391 2HD PRO 52 2HD PRO 52 5.694 6.914 -2.536 392 H VAL 53 H VAL 53 1.305 4.795 -5.112 393 HA VAL 53 HA VAL 53 0.641 2.213 -3.981 394 HB VAL 53 HB VAL 53 -1.622 3.175 -3.183 395 1HG1 VAL 53 1HG1 VAL 53 -0.219 2.171 -1.599 396 2HG1 VAL 53 2HG1 VAL 53 -0.587 3.762 -0.936 397 3HG1 VAL 53 3HG1 VAL 53 0.972 3.465 -1.700 398 1HG2 VAL 53 1HG2 VAL 53 -0.288 5.633 -2.342 399 2HG2 VAL 53 2HG2 VAL 53 -1.918 5.381 -2.967 400 3HG2 VAL 53 3HG2 VAL 53 -0.561 5.537 -4.083 401 H GLU 54 H GLU 54 -1.523 1.452 -4.773 402 HA GLU 54 HA GLU 54 -2.218 2.693 -7.353 403 1HB GLU 54 1HB GLU 54 -2.372 -0.276 -6.928 404 2HB GLU 54 2HB GLU 54 -2.334 0.618 -8.440 405 1HG GLU 54 1HG GLU 54 0.067 1.062 -6.896 406 2HG GLU 54 2HG GLU 54 -0.211 -0.654 -7.189 407 H LEU 55 H LEU 55 -4.232 3.419 -7.294 408 HA LEU 55 HA LEU 55 -6.147 2.262 -5.426 409 1HB LEU 55 1HB LEU 55 -5.772 4.749 -5.680 410 2HB LEU 55 2HB LEU 55 -6.541 4.627 -7.250 411 HG LEU 55 HG LEU 55 -8.355 3.416 -5.524 412 1HD1 LEU 55 1HD1 LEU 55 -6.717 5.273 -4.037 413 2HD1 LEU 55 2HD1 LEU 55 -7.984 4.184 -3.474 414 3HD1 LEU 55 3HD1 LEU 55 -8.403 5.788 -4.077 415 1HD2 LEU 55 1HD2 LEU 55 -8.408 6.297 -6.393 416 2HD2 LEU 55 2HD2 LEU 55 -9.778 5.227 -6.103 417 3HD2 LEU 55 3HD2 LEU 55 -8.720 4.950 -7.486 418 H ILE 56 H ILE 56 -7.389 0.654 -6.064 419 HA ILE 56 HA ILE 56 -8.100 0.407 -8.902 420 HB ILE 56 HB ILE 56 -6.931 -1.510 -7.984 421 1HG1 ILE 56 1HG1 ILE 56 -9.706 -2.548 -8.229 422 2HG1 ILE 56 2HG1 ILE 56 -9.044 -1.637 -9.583 423 1HG2 ILE 56 1HG2 ILE 56 -7.377 -1.483 -5.694 424 2HG2 ILE 56 2HG2 ILE 56 -8.141 -2.953 -6.298 425 3HG2 ILE 56 3HG2 ILE 56 -9.118 -1.531 -5.956 426 1HD1 ILE 56 1HD1 ILE 56 -7.153 -3.591 -8.647 427 2HD1 ILE 56 2HD1 ILE 56 -7.857 -3.381 -10.251 428 3HD1 ILE 56 3HD1 ILE 56 -8.702 -4.341 -9.036 429 H GLN 57 H GLN 57 -10.296 -0.091 -9.512 430 HA GLN 57 HA GLN 57 -12.270 0.668 -7.460 431 1HB GLN 57 1HB GLN 57 -11.962 1.464 -10.324 432 2HB GLN 57 2HB GLN 57 -13.586 1.323 -9.670 433 1HG GLN 57 1HG GLN 57 -13.077 3.561 -9.381 434 2HG GLN 57 2HG GLN 57 -12.748 2.861 -7.797 435 1HE2 GLN 57 1HE2 GLN 57 -11.278 4.023 -10.768 436 2HE2 GLN 57 2HE2 GLN 57 -9.726 4.359 -10.089 437 H CYS 58 H CYS 58 -14.148 -0.585 -7.320 438 HA CYS 58 HA CYS 58 -14.803 -2.557 -9.297 439 1HB CYS 58 1HB CYS 58 -13.206 -3.279 -6.925 440 2HB CYS 58 2HB CYS 58 -14.630 -4.281 -7.176 441 HG CYS 58 HG CYS 58 -12.434 -5.200 -8.415 442 H ARG 59 H ARG 59 -16.732 -3.904 -8.506 443 HA ARG 59 HA ARG 59 -18.592 -2.120 -7.234 444 1HB ARG 59 1HB ARG 59 -18.908 -4.921 -8.332 445 2HB ARG 59 2HB ARG 59 -20.229 -3.963 -7.686 446 1HG ARG 59 1HG ARG 59 -20.322 -3.763 -10.030 447 2HG ARG 59 2HG ARG 59 -19.701 -2.234 -9.412 448 1HD ARG 59 1HD ARG 59 -17.505 -2.727 -10.101 449 2HD ARG 59 2HD ARG 59 -17.879 -4.432 -10.346 450 HE ARG 59 HE ARG 59 -18.491 -3.900 -12.469 451 1HH1 ARG 59 1HH1 ARG 59 -18.815 -1.026 -10.511 452 2HH1 ARG 59 2HH1 ARG 59 -19.341 -0.038 -11.830 453 1HH2 ARG 59 1HH2 ARG 59 -19.159 -2.586 -14.207 454 2HH2 ARG 59 2HH2 ARG 59 -19.528 -0.918 -13.924 455 H VAL 60 H VAL 60 -20.261 -3.931 -5.914 456 HA VAL 60 HA VAL 60 -18.842 -4.198 -3.410 457 HB VAL 60 HB VAL 60 -21.714 -4.919 -4.002 458 1HG1 VAL 60 1HG1 VAL 60 -20.945 -5.895 -1.943 459 2HG1 VAL 60 2HG1 VAL 60 -21.991 -4.526 -1.564 460 3HG1 VAL 60 3HG1 VAL 60 -20.240 -4.362 -1.431 461 1HG2 VAL 60 1HG2 VAL 60 -21.240 -2.424 -2.578 462 2HG2 VAL 60 2HG2 VAL 60 -22.306 -2.765 -3.942 463 3HG2 VAL 60 3HG2 VAL 60 -20.602 -2.407 -4.222 464 H ASN 61 H ASN 61 -19.251 -6.178 -6.068 465 HA ASN 61 HA ASN 61 -18.698 -8.561 -4.442 466 1HB ASN 61 1HB ASN 61 -21.092 -8.438 -5.411 467 2HB ASN 61 2HB ASN 61 -20.325 -8.745 -6.966 468 1HD2 ASN 61 1HD2 ASN 61 -18.755 -10.641 -6.915 469 2HD2 ASN 61 2HD2 ASN 61 -19.299 -12.056 -6.089 470 H GLU 62 H GLU 62 -16.593 -7.298 -5.298 471 HA GLU 62 HA GLU 62 -15.511 -9.046 -7.332 472 1HB GLU 62 1HB GLU 62 -15.733 -6.067 -7.718 473 2HB GLU 62 2HB GLU 62 -14.485 -7.009 -8.521 474 1HG GLU 62 1HG GLU 62 -17.431 -7.559 -8.775 475 2HG GLU 62 2HG GLU 62 -16.504 -6.568 -9.900 476 H ILE 63 H ILE 63 -15.041 -6.430 -5.019 477 HA ILE 63 HA ILE 63 -12.296 -6.288 -4.945 478 HB ILE 63 HB ILE 63 -12.476 -5.535 -2.632 479 1HG1 ILE 63 1HG1 ILE 63 -15.398 -5.712 -2.469 480 2HG1 ILE 63 2HG1 ILE 63 -14.596 -7.275 -2.407 481 1HG2 ILE 63 1HG2 ILE 63 -13.709 -4.392 -4.868 482 2HG2 ILE 63 2HG2 ILE 63 -13.160 -3.578 -3.402 483 3HG2 ILE 63 3HG2 ILE 63 -14.823 -4.146 -3.523 484 1HD1 ILE 63 1HD1 ILE 63 -14.342 -4.963 -0.535 485 2HD1 ILE 63 2HD1 ILE 63 -13.102 -6.213 -0.619 486 3HD1 ILE 63 3HD1 ILE 63 -14.758 -6.641 -0.184 487 H GLU 64 H GLU 64 -14.390 -8.734 -3.553 488 HA GLU 64 HA GLU 64 -12.446 -9.965 -1.928 489 1HB GLU 64 1HB GLU 64 -15.127 -10.746 -2.986 490 2HB GLU 64 2HB GLU 64 -14.105 -11.983 -2.264 491 1HG GLU 64 1HG GLU 64 -14.442 -11.225 -0.187 492 2HG GLU 64 2HG GLU 64 -14.330 -9.537 -0.677 493 H THR 65 H THR 65 -13.396 -10.338 -5.283 494 HA THR 65 HA THR 65 -11.825 -12.700 -5.701 495 HB THR 65 HB THR 65 -12.412 -12.469 -8.034 496 HG1 THR 65 HG1 THR 65 -13.496 -9.934 -7.385 497 1HG2 THR 65 1HG2 THR 65 -14.966 -11.843 -7.732 498 2HG2 THR 65 2HG2 THR 65 -14.542 -12.034 -6.030 499 3HG2 THR 65 3HG2 THR 65 -14.294 -13.369 -7.155 500 H TYR 66 H TYR 66 -11.415 -9.229 -6.367 501 HA TYR 66 HA TYR 66 -8.750 -9.734 -7.424 502 1HB TYR 66 1HB TYR 66 -10.234 -7.119 -7.102 503 2HB TYR 66 2HB TYR 66 -8.695 -7.332 -7.926 504 HD1 TYR 66 HD1 TYR 66 -12.287 -8.223 -8.069 505 HD2 TYR 66 HD2 TYR 66 -8.616 -8.007 -10.194 506 HE1 TYR 66 HE1 TYR 66 -13.488 -8.671 -10.162 507 HE2 TYR 66 HE2 TYR 66 -9.806 -8.451 -12.302 508 HH TYR 66 HH TYR 66 -11.785 -9.189 -13.190 509 H MET 67 H MET 67 -9.852 -9.644 -4.395 510 HA MET 67 HA MET 67 -7.946 -7.810 -3.210 511 1HB MET 67 1HB MET 67 -8.715 -8.566 -1.059 512 2HB MET 67 2HB MET 67 -10.108 -8.281 -2.084 513 1HG MET 67 1HG MET 67 -10.813 -10.341 -1.751 514 2HG MET 67 2HG MET 67 -9.302 -10.982 -2.378 515 1HE MET 67 1HE MET 67 -9.563 -12.923 -1.236 516 2HE MET 67 2HE MET 67 -9.647 -13.209 0.502 517 3HE MET 67 3HE MET 67 -8.087 -12.928 -0.271 518 H ASP 68 H ASP 68 -6.536 -9.483 -4.847 519 HA ASP 68 HA ASP 68 -5.464 -11.666 -3.277 520 1HB ASP 68 1HB ASP 68 -5.492 -10.912 -6.066 521 2HB ASP 68 2HB ASP 68 -3.857 -11.320 -5.552 522 H GLY 69 H GLY 69 -4.497 -8.462 -4.309 523 1HA GLY 69 1HA GLY 69 -2.271 -8.611 -2.394 524 2HA GLY 69 2HA GLY 69 -1.965 -8.033 -4.028 525 H VAL 70 H VAL 70 -4.835 -7.449 -2.059 526 HA VAL 70 HA VAL 70 -4.426 -4.591 -2.405 527 HB VAL 70 HB VAL 70 -6.809 -6.116 -1.347 528 1HG1 VAL 70 1HG1 VAL 70 -7.990 -4.153 -1.238 529 2HG1 VAL 70 2HG1 VAL 70 -6.956 -3.337 -2.410 530 3HG1 VAL 70 3HG1 VAL 70 -6.391 -3.585 -0.759 531 1HG2 VAL 70 1HG2 VAL 70 -6.349 -6.651 -3.661 532 2HG2 VAL 70 2HG2 VAL 70 -6.230 -4.938 -4.060 533 3HG2 VAL 70 3HG2 VAL 70 -7.777 -5.621 -3.563 534 H HIS 71 H HIS 71 -3.873 -3.241 -0.840 535 HA HIS 71 HA HIS 71 -3.274 -4.328 1.799 536 1HB HIS 71 1HB HIS 71 -1.640 -2.967 0.375 537 2HB HIS 71 2HB HIS 71 -2.631 -1.573 0.786 538 HD1 HIS 71 HD1 HIS 71 0.068 -3.725 2.039 539 HD2 HIS 71 HD2 HIS 71 -2.618 -0.929 3.600 540 HE1 HIS 71 HE1 HIS 71 0.971 -3.077 4.315 541 HE2 HIS 71 HE2 HIS 71 -0.724 -1.478 5.275 542 H LEU 72 H LEU 72 -5.583 -2.300 0.249 543 HA LEU 72 HA LEU 72 -6.978 -1.900 2.740 544 1HB LEU 72 1HB LEU 72 -5.559 0.280 1.339 545 2HB LEU 72 2HB LEU 72 -7.192 0.643 1.851 546 HG LEU 72 HG LEU 72 -4.849 -0.115 3.585 547 1HD1 LEU 72 1HD1 LEU 72 -5.669 2.099 4.669 548 2HD1 LEU 72 2HD1 LEU 72 -6.453 2.363 3.112 549 3HD1 LEU 72 3HD1 LEU 72 -4.704 2.156 3.195 550 1HD2 LEU 72 1HD2 LEU 72 -6.254 -0.986 5.067 551 2HD2 LEU 72 2HD2 LEU 72 -7.636 -0.620 4.035 552 3HD2 LEU 72 3HD2 LEU 72 -7.052 0.582 5.184 553 H ILE 73 H ILE 73 -9.183 -1.179 2.412 554 HA ILE 73 HA ILE 73 -10.108 -1.176 -0.370 555 HB ILE 73 HB ILE 73 -12.120 -2.556 0.936 556 1HG1 ILE 73 1HG1 ILE 73 -10.461 -2.939 2.786 557 2HG1 ILE 73 2HG1 ILE 73 -11.162 -4.384 2.092 558 1HG2 ILE 73 1HG2 ILE 73 -10.267 -4.324 -0.441 559 2HG2 ILE 73 2HG2 ILE 73 -10.597 -2.840 -1.327 560 3HG2 ILE 73 3HG2 ILE 73 -11.927 -3.883 -0.836 561 1HD1 ILE 73 1HD1 ILE 73 -8.419 -3.644 2.335 562 2HD1 ILE 73 2HD1 ILE 73 -8.824 -3.899 0.640 563 3HD1 ILE 73 3HD1 ILE 73 -9.120 -5.176 1.819 564 H CYS 74 H CYS 74 -11.931 0.058 -0.742 565 HA CYS 74 HA CYS 74 -13.111 1.396 1.597 566 1HB CYS 74 1HB CYS 74 -12.331 2.673 -1.029 567 2HB CYS 74 2HB CYS 74 -13.263 3.472 0.232 568 HG CYS 74 HG CYS 74 -10.388 3.593 0.135 569 H THR 75 H THR 75 -15.145 0.655 1.721 570 HA THR 75 HA THR 75 -16.750 0.654 -0.747 571 HB THR 75 HB THR 75 -17.296 -1.296 1.465 572 HG1 THR 75 HG1 THR 75 -15.687 -2.518 0.915 573 1HG2 THR 75 1HG2 THR 75 -18.555 -0.790 -0.930 574 2HG2 THR 75 2HG2 THR 75 -18.726 -2.239 0.060 575 3HG2 THR 75 3HG2 THR 75 -17.566 -2.211 -1.267 576 H THR 76 H THR 76 -18.868 1.353 -0.573 577 HA THR 76 HA THR 76 -19.717 2.352 2.063 578 HB THR 76 HB THR 76 -20.197 3.817 -0.534 579 HG1 THR 76 HG1 THR 76 -18.291 4.449 1.458 580 1HG2 THR 76 1HG2 THR 76 -21.012 5.586 0.690 581 2HG2 THR 76 2HG2 THR 76 -20.254 5.039 2.185 582 3HG2 THR 76 3HG2 THR 76 -21.670 4.198 1.556 583 H ALA 77 H ALA 77 -20.528 -0.092 1.152 584 HA ALA 77 HA ALA 77 -23.287 0.387 0.233 585 1HB ALA 77 1HB ALA 77 -21.369 -1.830 -0.312 586 2HB ALA 77 2HB ALA 77 -22.412 -0.945 -1.424 587 3HB ALA 77 3HB ALA 77 -23.102 -2.154 -0.341 588 H ARG 78 H ARG 78 -21.605 -0.195 2.978 589 HA ARG 78 HA ARG 78 -22.260 -0.807 5.073 590 1HB ARG 78 1HB ARG 78 -24.633 -0.156 3.899 591 2HB ARG 78 2HB ARG 78 -24.922 -1.836 4.328 592 1HG ARG 78 1HG ARG 78 -25.681 -0.701 6.186 593 2HG ARG 78 2HG ARG 78 -24.038 -1.140 6.658 594 1HD ARG 78 1HD ARG 78 -24.074 1.074 7.252 595 2HD ARG 78 2HD ARG 78 -23.446 1.180 5.612 596 HE ARG 78 HE ARG 78 -25.631 1.871 4.881 597 1HH1 ARG 78 1HH1 ARG 78 -25.164 1.857 8.348 598 2HH1 ARG 78 2HH1 ARG 78 -26.429 2.998 8.642 599 1HH2 ARG 78 1HH2 ARG 78 -27.286 3.375 5.278 600 2HH2 ARG 78 2HH2 ARG 78 -27.633 3.857 6.905 601 H VAL 79 H VAL 79 -20.646 -2.521 4.221 602 HA VAL 79 HA VAL 79 -21.795 -5.156 3.855 603 HB VAL 79 HB VAL 79 -19.516 -5.940 3.573 604 1HG1 VAL 79 1HG1 VAL 79 -20.499 -3.574 2.097 605 2HG1 VAL 79 2HG1 VAL 79 -20.135 -5.202 1.523 606 3HG1 VAL 79 3HG1 VAL 79 -18.827 -4.054 1.812 607 1HG2 VAL 79 1HG2 VAL 79 -17.652 -4.860 4.244 608 2HG2 VAL 79 2HG2 VAL 79 -18.765 -4.017 5.321 609 3HG2 VAL 79 3HG2 VAL 79 -18.282 -3.276 3.795 610 H ASP 80 H ASP 80 -20.096 -6.832 5.177 611 HA ASP 80 HA ASP 80 -20.909 -6.395 7.950 612 1HB ASP 80 1HB ASP 80 -20.565 -8.770 8.262 613 2HB ASP 80 2HB ASP 80 -21.519 -8.521 6.803 614 H ARG 81 H ARG 81 -18.120 -6.410 5.969 615 HA ARG 81 HA ARG 81 -15.872 -6.447 6.381 616 1HB ARG 81 1HB ARG 81 -15.121 -4.668 7.820 617 2HB ARG 81 2HB ARG 81 -16.546 -4.134 6.942 618 1HG ARG 81 1HG ARG 81 -17.260 -5.301 9.484 619 2HG ARG 81 2HG ARG 81 -16.100 -3.991 9.677 620 1HD ARG 81 1HD ARG 81 -18.246 -3.407 7.776 621 2HD ARG 81 2HD ARG 81 -18.805 -3.686 9.425 622 HE ARG 81 HE ARG 81 -16.584 -1.841 9.112 623 1HH1 ARG 81 1HH1 ARG 81 -20.038 -2.236 9.457 624 2HH1 ARG 81 2HH1 ARG 81 -20.285 -0.631 10.055 625 1HH2 ARG 81 1HH2 ARG 81 -16.912 0.270 9.896 626 2HH2 ARG 81 2HH2 ARG 81 -18.513 0.792 10.304 627 H SER 82 H SER 82 -17.044 -8.688 7.463 628 HA SER 82 HA SER 82 -15.304 -9.156 9.784 629 1HB SER 82 1HB SER 82 -17.943 -8.982 10.144 630 2HB SER 82 2HB SER 82 -17.868 -10.664 9.622 631 HG SER 82 HG SER 82 -16.632 -11.160 11.352 632 H PHE 83 H PHE 83 -15.576 -9.794 6.696 633 HA PHE 83 HA PHE 83 -15.258 -12.691 6.839 634 1HB PHE 83 1HB PHE 83 -15.510 -12.726 4.467 635 2HB PHE 83 2HB PHE 83 -16.728 -11.618 5.087 636 HD1 PHE 83 HD1 PHE 83 -16.078 -9.092 5.079 637 HD2 PHE 83 HD2 PHE 83 -14.143 -12.072 2.734 638 HE1 PHE 83 HE1 PHE 83 -15.260 -7.351 3.551 639 HE2 PHE 83 HE2 PHE 83 -13.326 -10.332 1.199 640 HZ PHE 83 HZ PHE 83 -13.885 -7.969 1.607 641 H GLY 84 H GLY 84 -13.291 -13.436 7.245 642 1HA GLY 84 1HA GLY 84 -11.023 -13.773 7.066 643 2HA GLY 84 2HA GLY 84 -11.052 -12.764 5.628 644 H ASP 85 H ASP 85 -10.062 -10.843 5.734 645 HA ASP 85 HA ASP 85 -9.939 -9.362 8.211 646 1HB ASP 85 1HB ASP 85 -7.684 -10.971 7.268 647 2HB ASP 85 2HB ASP 85 -7.269 -9.277 7.510 648 H ILE 86 H ILE 86 -10.891 -9.139 5.390 649 HA ILE 86 HA ILE 86 -9.361 -7.404 3.874 650 HB ILE 86 HB ILE 86 -12.268 -8.033 4.059 651 1HG1 ILE 86 1HG1 ILE 86 -10.851 -9.517 2.805 652 2HG1 ILE 86 2HG1 ILE 86 -11.873 -8.641 1.673 653 1HG2 ILE 86 1HG2 ILE 86 -11.733 -6.234 1.849 654 2HG2 ILE 86 2HG2 ILE 86 -11.571 -5.442 3.414 655 3HG2 ILE 86 3HG2 ILE 86 -13.073 -6.256 2.993 656 1HD1 ILE 86 1HD1 ILE 86 -9.998 -8.263 0.549 657 2HD1 ILE 86 2HD1 ILE 86 -8.979 -8.692 1.922 658 3HD1 ILE 86 3HD1 ILE 86 -9.643 -7.063 1.792 659 HA PRO 87 HA PRO 87 -9.497 -3.975 6.865 660 1HB PRO 87 1HB PRO 87 -7.512 -2.550 5.673 661 2HB PRO 87 2HB PRO 87 -7.200 -3.902 6.768 662 1HG PRO 87 1HG PRO 87 -7.207 -3.852 3.774 663 2HG PRO 87 2HG PRO 87 -6.055 -4.627 4.877 664 1HD PRO 87 1HD PRO 87 -8.007 -6.020 3.634 665 2HD PRO 87 2HD PRO 87 -7.442 -6.426 5.263 666 H LEU 88 H LEU 88 -11.655 -3.662 5.681 667 HA LEU 88 HA LEU 88 -11.502 -1.573 3.647 668 1HB LEU 88 1HB LEU 88 -13.808 -2.035 3.182 669 2HB LEU 88 2HB LEU 88 -12.915 -3.544 3.221 670 HG LEU 88 HG LEU 88 -13.927 -3.082 5.837 671 1HD1 LEU 88 1HD1 LEU 88 -16.293 -3.314 4.133 672 2HD1 LEU 88 2HD1 LEU 88 -15.538 -1.722 4.126 673 3HD1 LEU 88 3HD1 LEU 88 -16.065 -2.443 5.648 674 1HD2 LEU 88 1HD2 LEU 88 -15.133 -5.176 5.380 675 2HD2 LEU 88 2HD2 LEU 88 -13.437 -5.260 4.915 676 3HD2 LEU 88 3HD2 LEU 88 -14.679 -5.048 3.682 677 H VAL 89 H VAL 89 -13.014 0.244 3.776 678 HA VAL 89 HA VAL 89 -13.853 1.001 6.465 679 HB VAL 89 HB VAL 89 -11.525 1.846 6.186 680 1HG1 VAL 89 1HG1 VAL 89 -11.868 2.256 3.678 681 2HG1 VAL 89 2HG1 VAL 89 -10.933 3.447 4.584 682 3HG1 VAL 89 3HG1 VAL 89 -12.614 3.780 4.163 683 1HG2 VAL 89 1HG2 VAL 89 -13.642 3.989 6.330 684 2HG2 VAL 89 2HG2 VAL 89 -11.997 4.105 6.953 685 3HG2 VAL 89 3HG2 VAL 89 -13.130 2.958 7.666 686 H HIS 90 H HIS 90 -15.305 2.813 6.508 687 HA HIS 90 HA HIS 90 -16.920 2.962 4.095 688 1HB HIS 90 1HB HIS 90 -17.344 3.414 6.971 689 2HB HIS 90 2HB HIS 90 -18.185 4.554 5.925 690 HD1 HIS 90 HD1 HIS 90 -20.374 3.379 6.912 691 HD2 HIS 90 HD2 HIS 90 -17.979 1.048 4.403 692 HE1 HIS 90 HE1 HIS 90 -21.802 1.415 6.197 693 HE2 HIS 90 HE2 HIS 90 -20.385 0.116 4.570 694 H GLY 91 H GLY 91 -17.484 4.898 3.063 695 1HA GLY 91 1HA GLY 91 -15.705 7.178 3.669 696 2HA GLY 91 2HA GLY 91 -16.083 6.676 2.026 697 H MET 92 H MET 92 -18.597 6.532 4.385 698 HA MET 92 HA MET 92 -20.415 8.050 2.993 699 1HB MET 92 1HB MET 92 -20.458 6.643 5.339 700 2HB MET 92 2HB MET 92 -20.680 8.292 5.910 701 1HG MET 92 1HG MET 92 -22.386 8.057 3.725 702 2HG MET 92 2HG MET 92 -22.540 6.529 4.590 703 1HE MET 92 1HE MET 92 -22.872 6.335 7.050 704 2HE MET 92 2HE MET 92 -23.813 7.456 8.035 705 3HE MET 92 3HE MET 92 -22.082 7.715 7.813 706 HA PRO 93 HA PRO 93 -19.143 11.952 5.500 707 1HB PRO 93 1HB PRO 93 -16.811 11.948 6.850 708 2HB PRO 93 2HB PRO 93 -18.313 11.347 7.562 709 1HG PRO 93 1HG PRO 93 -16.047 9.818 6.349 710 2HG PRO 93 2HG PRO 93 -16.971 9.471 7.822 711 1HD PRO 93 1HD PRO 93 -17.424 8.239 5.431 712 2HD PRO 93 2HD PRO 93 -18.680 8.474 6.660 713 H PHE 94 H PHE 94 -16.624 10.065 3.920 714 HA PHE 94 HA PHE 94 -14.990 12.249 3.138 715 1HB PHE 94 1HB PHE 94 -14.809 9.502 2.967 716 2HB PHE 94 2HB PHE 94 -15.023 9.974 1.285 717 HD1 PHE 94 HD1 PHE 94 -12.599 8.954 3.261 718 HD2 PHE 94 HD2 PHE 94 -13.578 12.468 1.074 719 HE1 PHE 94 HE1 PHE 94 -10.213 9.538 3.141 720 HE2 PHE 94 HE2 PHE 94 -11.193 13.057 0.949 721 HZ PHE 94 HZ PHE 94 -9.506 11.592 1.984 722 H VAL 95 H VAL 95 -17.741 10.632 1.654 723 HA VAL 95 HA VAL 95 -17.584 12.035 -0.824 724 HB VAL 95 HB VAL 95 -19.934 10.582 0.409 725 1HG1 VAL 95 1HG1 VAL 95 -20.379 12.231 -1.501 726 2HG1 VAL 95 2HG1 VAL 95 -20.973 10.583 -1.687 727 3HG1 VAL 95 3HG1 VAL 95 -19.502 11.086 -2.518 728 1HG2 VAL 95 1HG2 VAL 95 -19.117 8.875 -1.419 729 2HG2 VAL 95 2HG2 VAL 95 -18.399 8.897 0.192 730 3HG2 VAL 95 3HG2 VAL 95 -17.570 9.679 -1.155 731 H SER 96 H SER 96 -18.933 12.764 2.282 732 HA SER 96 HA SER 96 -20.951 14.550 1.595 733 1HB SER 96 1HB SER 96 -20.924 15.263 3.823 734 2HB SER 96 2HB SER 96 -20.263 13.631 3.918 735 HG SER 96 HG SER 96 -19.015 15.104 5.112 736 H GLY 97 H GLY 97 -17.455 15.054 1.787 737 1HA GLY 97 1HA GLY 97 -16.256 16.691 0.633 738 2HA GLY 97 2HA GLY 97 -17.769 17.491 0.240 739 H VAL 98 H VAL 98 -18.138 17.020 3.388 740 HA VAL 98 HA VAL 98 -16.751 19.514 4.115 741 HB VAL 98 HB VAL 98 -19.303 19.577 3.935 742 1HG1 VAL 98 1HG1 VAL 98 -19.459 17.342 5.222 743 2HG1 VAL 98 2HG1 VAL 98 -20.640 18.607 5.563 744 3HG1 VAL 98 3HG1 VAL 98 -19.286 18.345 6.662 745 1HG2 VAL 98 1HG2 VAL 98 -17.703 20.485 6.291 746 2HG2 VAL 98 2HG2 VAL 98 -19.431 20.828 6.204 747 3HG2 VAL 98 3HG2 VAL 98 -18.349 21.424 4.945 748 H GLY 99 H GLY 99 -17.546 16.251 5.028 749 1HA GLY 99 1HA GLY 99 -16.456 16.526 7.700 750 2HA GLY 99 2HA GLY 99 -17.082 15.053 6.973 751 H ILE 100 H ILE 100 -15.022 16.369 4.760 752 HA ILE 100 HA ILE 100 -13.056 14.363 5.114 753 HB ILE 100 HB ILE 100 -12.641 16.875 3.507 754 1HG1 ILE 100 1HG1 ILE 100 -14.185 14.392 2.716 755 2HG1 ILE 100 2HG1 ILE 100 -14.846 16.012 2.909 756 1HG2 ILE 100 1HG2 ILE 100 -11.789 14.166 2.654 757 2HG2 ILE 100 2HG2 ILE 100 -10.903 14.938 3.967 758 3HG2 ILE 100 3HG2 ILE 100 -11.015 15.727 2.394 759 1HD1 ILE 100 1HD1 ILE 100 -14.606 15.635 0.595 760 2HD1 ILE 100 2HD1 ILE 100 -12.959 15.034 0.791 761 3HD1 ILE 100 3HD1 ILE 100 -13.314 16.741 1.060 762 H GLU 101 H GLU 101 -13.203 17.786 5.937 763 HA GLU 101 HA GLU 101 -10.600 18.338 6.576 764 1HB GLU 101 1HB GLU 101 -13.192 19.410 7.267 765 2HB GLU 101 2HB GLU 101 -12.091 19.531 8.633 766 1HG GLU 101 1HG GLU 101 -11.708 20.651 5.870 767 2HG GLU 101 2HG GLU 101 -11.944 21.544 7.373 768 H ALA 102 H ALA 102 -13.028 17.084 8.876 769 HA ALA 102 HA ALA 102 -11.106 16.582 10.917 770 1HB ALA 102 1HB ALA 102 -13.034 16.643 12.037 771 2HB ALA 102 2HB ALA 102 -13.291 14.986 11.495 772 3HB ALA 102 3HB ALA 102 -13.978 16.329 10.581 773 H LEU 103 H LEU 103 -12.682 14.585 8.466 774 HA LEU 103 HA LEU 103 -11.758 12.091 9.324 775 1HB LEU 103 1HB LEU 103 -13.511 12.558 7.574 776 2HB LEU 103 2HB LEU 103 -12.203 12.901 6.457 777 HG LEU 103 HG LEU 103 -11.350 10.579 6.846 778 1HD1 LEU 103 1HD1 LEU 103 -12.152 9.402 8.540 779 2HD1 LEU 103 2HD1 LEU 103 -13.707 9.321 7.713 780 3HD1 LEU 103 3HD1 LEU 103 -13.385 10.621 8.862 781 1HD2 LEU 103 1HD2 LEU 103 -13.491 11.478 5.254 782 2HD2 LEU 103 2HD2 LEU 103 -13.940 9.882 5.860 783 3HD2 LEU 103 3HD2 LEU 103 -12.429 10.099 4.985 784 H GLN 104 H GLN 104 -10.370 14.262 6.843 785 HA GLN 104 HA GLN 104 -8.163 12.773 6.155 786 1HB GLN 104 1HB GLN 104 -8.956 15.027 5.210 787 2HB GLN 104 2HB GLN 104 -7.962 15.747 6.472 788 1HG GLN 104 1HG GLN 104 -5.987 14.771 5.592 789 2HG GLN 104 2HG GLN 104 -6.908 13.757 4.485 790 1HE2 GLN 104 1HE2 GLN 104 -5.134 14.904 3.161 791 2HE2 GLN 104 2HE2 GLN 104 -5.639 16.342 2.348 792 H ASN 105 H ASN 105 -8.388 15.165 8.767 793 HA ASN 105 HA ASN 105 -5.805 15.032 9.726 794 1HB ASN 105 1HB ASN 105 -7.872 16.470 10.465 795 2HB ASN 105 2HB ASN 105 -8.083 15.195 11.662 796 1HD2 ASN 105 1HD2 ASN 105 -7.346 18.042 11.928 797 2HD2 ASN 105 2HD2 ASN 105 -5.863 18.049 12.814 798 H LYS 106 H LYS 106 -8.572 13.016 10.718 799 HA LYS 106 HA LYS 106 -6.985 11.420 12.486 800 1HB LYS 106 1HB LYS 106 -9.751 10.897 11.398 801 2HB LYS 106 2HB LYS 106 -9.000 10.063 12.751 802 1HG LYS 106 1HG LYS 106 -8.965 12.920 13.147 803 2HG LYS 106 2HG LYS 106 -10.602 12.333 12.851 804 1HD LYS 106 1HD LYS 106 -10.719 11.514 14.914 805 2HD LYS 106 2HD LYS 106 -9.272 10.541 14.643 806 1HE LYS 106 1HE LYS 106 -8.199 13.015 15.001 807 2HE LYS 106 2HE LYS 106 -9.603 13.090 16.064 808 1HZ LYS 106 1HZ LYS 106 -8.823 11.347 17.350 809 2HZ LYS 106 2HZ LYS 106 -7.407 12.204 17.000 810 3HZ LYS 106 3HZ LYS 106 -7.766 10.784 16.154 811 H ILE 107 H ILE 107 -8.260 10.983 9.213 812 HA ILE 107 HA ILE 107 -7.493 8.280 8.953 813 HB ILE 107 HB ILE 107 -9.155 9.554 7.511 814 1HG1 ILE 107 1HG1 ILE 107 -8.737 8.189 5.541 815 2HG1 ILE 107 2HG1 ILE 107 -7.081 7.919 6.056 816 1HG2 ILE 107 1HG2 ILE 107 -7.051 10.181 5.570 817 2HG2 ILE 107 2HG2 ILE 107 -7.118 11.224 6.988 818 3HG2 ILE 107 3HG2 ILE 107 -8.540 11.036 5.964 819 1HD1 ILE 107 1HD1 ILE 107 -8.953 6.141 6.467 820 2HD1 ILE 107 2HD1 ILE 107 -9.262 7.128 7.896 821 3HD1 ILE 107 3HD1 ILE 107 -7.669 6.412 7.644 822 H LEU 108 H LEU 108 -5.762 11.301 8.418 823 HA LEU 108 HA LEU 108 -3.536 10.064 7.090 824 1HB LEU 108 1HB LEU 108 -4.093 12.785 8.197 825 2HB LEU 108 2HB LEU 108 -2.442 12.337 7.813 826 HG LEU 108 HG LEU 108 -4.761 12.410 5.884 827 1HD1 LEU 108 1HD1 LEU 108 -2.419 14.203 6.402 828 2HD1 LEU 108 2HD1 LEU 108 -4.123 14.620 6.221 829 3HD1 LEU 108 3HD1 LEU 108 -3.181 14.134 4.812 830 1HD2 LEU 108 1HD2 LEU 108 -2.056 11.228 5.719 831 2HD2 LEU 108 2HD2 LEU 108 -2.608 12.150 4.321 832 3HD2 LEU 108 3HD2 LEU 108 -3.547 10.772 4.897 833 H THR 109 H THR 109 -4.220 11.189 10.374 834 HA THR 109 HA THR 109 -1.701 10.736 11.501 835 HB THR 109 HB THR 109 -3.203 10.362 13.643 836 HG1 THR 109 HG1 THR 109 -5.218 11.660 13.066 837 1HG2 THR 109 1HG2 THR 109 -2.029 12.371 13.550 838 2HG2 THR 109 2HG2 THR 109 -3.719 12.861 13.659 839 3HG2 THR 109 3HG2 THR 109 -2.886 12.912 12.106 840 H ILE 110 H ILE 110 -4.435 8.547 11.027 841 HA ILE 110 HA ILE 110 -3.141 6.390 12.441 842 HB ILE 110 HB ILE 110 -5.560 6.198 10.648 843 1HG1 ILE 110 1HG1 ILE 110 -5.767 6.455 13.624 844 2HG1 ILE 110 2HG1 ILE 110 -5.562 7.914 12.658 845 1HG2 ILE 110 1HG2 ILE 110 -5.122 4.513 13.055 846 2HG2 ILE 110 2HG2 ILE 110 -4.166 4.172 11.612 847 3HG2 ILE 110 3HG2 ILE 110 -5.928 4.128 11.534 848 1HD1 ILE 110 1HD1 ILE 110 -7.583 6.430 11.406 849 2HD1 ILE 110 2HD1 ILE 110 -7.744 7.928 12.324 850 3HD1 ILE 110 3HD1 ILE 110 -7.918 6.373 13.136 851 H LEU 111 H LEU 111 -3.838 7.218 9.059 852 HA LEU 111 HA LEU 111 -2.970 4.915 7.796 853 1HB LEU 111 1HB LEU 111 -2.945 7.805 7.014 854 2HB LEU 111 2HB LEU 111 -2.188 6.621 5.970 855 HG LEU 111 HG LEU 111 -5.061 6.394 6.842 856 1HD1 LEU 111 1HD1 LEU 111 -4.628 7.263 4.108 857 2HD1 LEU 111 2HD1 LEU 111 -4.040 8.440 5.281 858 3HD1 LEU 111 3HD1 LEU 111 -5.713 7.901 5.338 859 1HD2 LEU 111 1HD2 LEU 111 -4.886 4.420 5.832 860 2HD2 LEU 111 2HD2 LEU 111 -3.249 4.779 5.281 861 3HD2 LEU 111 3HD2 LEU 111 -4.636 5.283 4.315 862 H GLN 112 H GLN 112 -1.065 7.705 8.867 863 HA GLN 112 HA GLN 112 1.406 6.733 7.852 864 1HB GLN 112 1HB GLN 112 2.426 8.512 9.211 865 2HB GLN 112 2HB GLN 112 1.069 9.107 8.266 866 1HG GLN 112 1HG GLN 112 0.274 9.990 10.131 867 2HG GLN 112 2HG GLN 112 -0.054 8.350 10.683 868 1HE2 GLN 112 1HE2 GLN 112 0.976 7.625 12.423 869 2HE2 GLN 112 2HE2 GLN 112 2.289 8.422 13.215 870 H GLY 113 H GLY 113 -0.324 6.328 10.860 871 1HA GLY 113 1HA GLY 113 1.613 4.284 11.641 872 2HA GLY 113 2HA GLY 113 1.353 5.606 12.769 Start of MODEL 7 1 1H MET 1 1H MET 1 1.787 -1.640 29.848 2 2H MET 1 2H MET 1 1.857 -1.905 28.154 3 3H MET 1 3H MET 1 3.152 -2.414 29.159 4 HA MET 1 HA MET 1 1.791 -4.007 30.212 5 1HB MET 1 1HB MET 1 -0.248 -2.352 29.612 6 2HB MET 1 2HB MET 1 -0.455 -3.536 28.327 7 1HG MET 1 1HG MET 1 -1.829 -4.109 30.221 8 2HG MET 1 2HG MET 1 -0.566 -5.320 30.001 9 1HE MET 1 1HE MET 1 0.546 -6.297 32.146 10 2HE MET 1 2HE MET 1 -1.205 -6.205 32.331 11 3HE MET 1 3HE MET 1 -0.153 -5.743 33.668 12 H GLY 2 H GLY 2 3.168 -3.265 27.397 13 1HA GLY 2 1HA GLY 2 3.889 -5.712 26.537 14 2HA GLY 2 2HA GLY 2 2.300 -5.523 25.808 15 H SER 3 H SER 3 3.069 -5.499 23.700 16 HA SER 3 HA SER 3 4.143 -2.943 22.847 17 1HB SER 3 1HB SER 3 5.545 -5.240 21.608 18 2HB SER 3 2HB SER 3 6.154 -3.640 22.033 19 HG SER 3 HG SER 3 5.650 -5.778 23.837 20 H SER 4 H SER 4 3.877 -2.550 20.594 21 HA SER 4 HA SER 4 2.099 -4.445 19.218 22 1HB SER 4 1HB SER 4 1.359 -1.903 18.313 23 2HB SER 4 2HB SER 4 0.432 -2.953 19.383 24 HG SER 4 HG SER 4 1.479 -1.942 21.150 25 H HIS 5 H HIS 5 5.044 -3.646 19.070 26 HA HIS 5 HA HIS 5 5.382 -2.337 16.555 27 1HB HIS 5 1HB HIS 5 7.209 -3.835 18.413 28 2HB HIS 5 2HB HIS 5 7.764 -3.337 16.818 29 HD1 HIS 5 HD1 HIS 5 6.166 -1.742 19.894 30 HD2 HIS 5 HD2 HIS 5 8.827 -0.848 16.797 31 HE1 HIS 5 HE1 HIS 5 7.036 0.594 20.365 32 HE2 HIS 5 HE2 HIS 5 8.569 1.135 18.439 33 H HIS 6 H HIS 6 6.350 -3.314 14.650 34 HA HIS 6 HA HIS 6 5.990 -6.193 14.358 35 1HB HIS 6 1HB HIS 6 4.528 -4.121 12.722 36 2HB HIS 6 2HB HIS 6 4.748 -5.781 12.178 37 HD1 HIS 6 HD1 HIS 6 2.576 -3.648 14.188 38 HD2 HIS 6 HD2 HIS 6 3.475 -7.724 13.958 39 HE1 HIS 6 HE1 HIS 6 0.705 -4.851 15.404 40 HE2 HIS 6 HE2 HIS 6 1.225 -7.306 15.167 41 H HIS 7 H HIS 7 6.316 -3.616 11.941 42 HA HIS 7 HA HIS 7 8.847 -4.845 11.098 43 1HB HIS 7 1HB HIS 7 7.041 -2.965 9.564 44 2HB HIS 7 2HB HIS 7 8.475 -3.770 8.936 45 HD1 HIS 7 HD1 HIS 7 6.259 -5.802 11.105 46 HD2 HIS 7 HD2 HIS 7 6.777 -5.041 7.028 47 HE1 HIS 7 HE1 HIS 7 4.957 -7.603 9.881 48 HE2 HIS 7 HE2 HIS 7 5.357 -7.165 7.432 49 H HIS 8 H HIS 8 9.801 -3.685 12.986 50 HA HIS 8 HA HIS 8 10.840 -1.113 12.085 51 1HB HIS 8 1HB HIS 8 8.799 -1.093 13.882 52 2HB HIS 8 2HB HIS 8 10.184 -1.167 14.963 53 HD1 HIS 8 HD1 HIS 8 8.380 1.069 12.595 54 HD2 HIS 8 HD2 HIS 8 11.861 1.116 14.909 55 HE1 HIS 8 HE1 HIS 8 9.165 3.481 12.639 56 HE2 HIS 8 HE2 HIS 8 11.209 3.489 14.115 57 H HIS 9 H HIS 9 11.761 -3.953 12.537 58 HA HIS 9 HA HIS 9 14.265 -3.257 13.823 59 1HB HIS 9 1HB HIS 9 12.909 -4.048 15.710 60 2HB HIS 9 2HB HIS 9 12.548 -5.534 14.841 61 HD1 HIS 9 HD1 HIS 9 15.332 -6.339 13.867 62 HD2 HIS 9 HD2 HIS 9 14.519 -4.918 17.713 63 HE1 HIS 9 HE1 HIS 9 17.201 -7.204 15.347 64 HE2 HIS 9 HE2 HIS 9 16.629 -6.414 17.671 65 H HIS 10 H HIS 10 12.295 -5.802 12.340 66 HA HIS 10 HA HIS 10 14.715 -6.968 11.157 67 1HB HIS 10 1HB HIS 10 11.953 -8.021 11.694 68 2HB HIS 10 2HB HIS 10 12.990 -8.809 10.512 69 HD1 HIS 10 HD1 HIS 10 12.512 -8.289 14.170 70 HD2 HIS 10 HD2 HIS 10 15.228 -10.148 11.593 71 HE1 HIS 10 HE1 HIS 10 13.963 -9.775 15.627 72 HE2 HIS 10 HE2 HIS 10 15.627 -10.832 14.056 73 H HIS 11 H HIS 11 13.701 -8.201 8.939 74 HA HIS 11 HA HIS 11 12.272 -6.262 7.326 75 1HB HIS 11 1HB HIS 11 14.992 -6.025 7.387 76 2HB HIS 11 2HB HIS 11 14.771 -7.116 6.022 77 HD1 HIS 11 HD1 HIS 11 14.803 -5.848 3.918 78 HD2 HIS 11 HD2 HIS 11 12.891 -3.749 6.987 79 HE1 HIS 11 HE1 HIS 11 14.011 -3.667 2.893 80 HE2 HIS 11 HE2 HIS 11 12.942 -2.391 4.785 81 H HIS 12 H HIS 12 10.768 -7.498 6.409 82 HA HIS 12 HA HIS 12 11.372 -10.268 5.723 83 1HB HIS 12 1HB HIS 12 8.716 -8.878 5.398 84 2HB HIS 12 2HB HIS 12 9.028 -10.605 5.536 85 HD1 HIS 12 HD1 HIS 12 8.963 -11.616 7.821 86 HD2 HIS 12 HD2 HIS 12 9.087 -7.438 7.892 87 HE1 HIS 12 HE1 HIS 12 8.598 -10.942 10.238 88 HE2 HIS 12 HE2 HIS 12 8.597 -8.421 10.234 89 H GLU 13 H GLU 13 10.197 -11.017 3.607 90 HA GLU 13 HA GLU 13 10.716 -9.064 1.471 91 1HB GLU 13 1HB GLU 13 12.622 -10.644 1.691 92 2HB GLU 13 2HB GLU 13 11.520 -11.978 1.386 93 1HG GLU 13 1HG GLU 13 11.034 -11.080 -0.828 94 2HG GLU 13 2HG GLU 13 12.124 -9.730 -0.521 95 H ASN 14 H ASN 14 9.692 -12.474 1.457 96 HA ASN 14 HA ASN 14 7.872 -13.508 0.572 97 1HB ASN 14 1HB ASN 14 6.886 -11.849 2.380 98 2HB ASN 14 2HB ASN 14 6.206 -11.059 0.961 99 1HD2 ASN 14 1HD2 ASN 14 6.689 -14.424 1.991 100 2HD2 ASN 14 2HD2 ASN 14 5.062 -14.923 1.701 101 H LEU 15 H LEU 15 9.523 -12.415 -1.332 102 HA LEU 15 HA LEU 15 9.567 -11.998 -3.572 103 1HB LEU 15 1HB LEU 15 7.003 -13.115 -3.095 104 2HB LEU 15 2HB LEU 15 6.786 -11.781 -4.211 105 HG LEU 15 HG LEU 15 8.841 -12.970 -5.425 106 1HD1 LEU 15 1HD1 LEU 15 7.975 -14.885 -3.456 107 2HD1 LEU 15 2HD1 LEU 15 9.349 -14.949 -4.559 108 3HD1 LEU 15 3HD1 LEU 15 7.766 -15.519 -5.087 109 1HD2 LEU 15 1HD2 LEU 15 6.258 -12.561 -6.000 110 2HD2 LEU 15 2HD2 LEU 15 6.264 -14.323 -5.914 111 3HD2 LEU 15 3HD2 LEU 15 7.342 -13.491 -7.035 112 H TYR 16 H TYR 16 9.730 -10.160 -4.788 113 HA TYR 16 HA TYR 16 8.152 -7.831 -3.938 114 1HB TYR 16 1HB TYR 16 10.834 -8.141 -3.363 115 2HB TYR 16 2HB TYR 16 10.866 -7.172 -4.829 116 HD1 TYR 16 HD1 TYR 16 11.658 -5.141 -3.906 117 HD2 TYR 16 HD2 TYR 16 8.227 -7.018 -2.227 118 HE1 TYR 16 HE1 TYR 16 11.208 -3.121 -2.580 119 HE2 TYR 16 HE2 TYR 16 7.767 -5.002 -0.900 120 HH TYR 16 HH TYR 16 8.265 -2.622 -0.927 121 H PHE 17 H PHE 17 7.090 -8.954 -5.946 122 HA PHE 17 HA PHE 17 7.859 -7.322 -8.244 123 1HB PHE 17 1HB PHE 17 7.073 -10.167 -8.759 124 2HB PHE 17 2HB PHE 17 7.986 -9.061 -9.778 125 HD1 PHE 17 HD1 PHE 17 10.365 -8.542 -9.189 126 HD2 PHE 17 HD2 PHE 17 8.151 -11.636 -7.275 127 HE1 PHE 17 HE1 PHE 17 12.466 -9.561 -8.413 128 HE2 PHE 17 HE2 PHE 17 10.253 -12.657 -6.495 129 HZ PHE 17 HZ PHE 17 12.410 -11.620 -7.061 130 H GLN 18 H GLN 18 5.635 -7.609 -6.141 131 HA GLN 18 HA GLN 18 3.390 -7.586 -8.052 132 1HB GLN 18 1HB GLN 18 3.564 -8.702 -5.269 133 2HB GLN 18 2HB GLN 18 2.018 -8.185 -5.927 134 1HG GLN 18 1HG GLN 18 2.204 -10.518 -6.277 135 2HG GLN 18 2HG GLN 18 2.404 -9.732 -7.843 136 1HE2 GLN 18 1HE2 GLN 18 3.789 -10.865 -8.991 137 2HE2 GLN 18 2HE2 GLN 18 5.300 -11.492 -8.436 138 H GLY 19 H GLY 19 2.751 -5.548 -8.336 139 1HA GLY 19 1HA GLY 19 2.015 -3.424 -7.864 140 2HA GLY 19 2HA GLY 19 1.804 -3.953 -6.200 141 H SER 20 H SER 20 2.919 -2.819 -4.788 142 HA SER 20 HA SER 20 5.697 -2.250 -5.158 143 1HB SER 20 1HB SER 20 5.669 0.091 -5.353 144 2HB SER 20 2HB SER 20 4.414 -0.437 -6.469 145 HG SER 20 HG SER 20 3.727 0.205 -3.819 146 H LYS 21 H LYS 21 2.745 -1.799 -3.307 147 HA LYS 21 HA LYS 21 4.050 -2.480 -0.876 148 1HB LYS 21 1HB LYS 21 3.998 0.302 -1.568 149 2HB LYS 21 2HB LYS 21 2.952 0.043 -0.179 150 1HG LYS 21 1HG LYS 21 4.707 -0.786 1.131 151 2HG LYS 21 2HG LYS 21 5.750 -1.032 -0.272 152 1HD LYS 21 1HD LYS 21 5.027 1.702 -0.236 153 2HD LYS 21 2HD LYS 21 5.506 1.269 1.405 154 1HE LYS 21 1HE LYS 21 7.189 0.413 -0.910 155 2HE LYS 21 2HE LYS 21 7.294 2.071 -0.317 156 1HZ LYS 21 1HZ LYS 21 8.480 1.416 1.423 157 2HZ LYS 21 2HZ LYS 21 8.634 -0.094 0.677 158 3HZ LYS 21 3HZ LYS 21 7.403 0.169 1.808 159 H ARG 22 H ARG 22 1.355 -0.232 -1.416 160 HA ARG 22 HA ARG 22 -0.491 -2.322 -0.470 161 1HB ARG 22 1HB ARG 22 -1.756 -0.501 0.688 162 2HB ARG 22 2HB ARG 22 -0.162 -0.806 1.364 163 1HG ARG 22 1HG ARG 22 0.032 1.209 -0.657 164 2HG ARG 22 2HG ARG 22 -1.243 1.636 0.486 165 1HD ARG 22 1HD ARG 22 1.392 0.680 1.515 166 2HD ARG 22 2HD ARG 22 1.243 2.335 0.930 167 HE ARG 22 HE ARG 22 -0.639 1.359 2.953 168 1HH1 ARG 22 1HH1 ARG 22 2.009 3.473 2.081 169 2HH1 ARG 22 2HH1 ARG 22 1.858 4.445 3.504 170 1HH2 ARG 22 1HH2 ARG 22 -0.820 2.643 4.825 171 2HH2 ARG 22 2HH2 ARG 22 0.262 3.974 5.057 172 H LYS 23 H LYS 23 -2.717 -2.075 -1.172 173 HA LYS 23 HA LYS 23 -3.095 -0.297 -3.480 174 1HB LYS 23 1HB LYS 23 -3.300 -3.277 -3.404 175 2HB LYS 23 2HB LYS 23 -4.402 -2.382 -4.441 176 1HG LYS 23 1HG LYS 23 -2.816 -2.396 -5.989 177 2HG LYS 23 2HG LYS 23 -1.903 -1.286 -4.965 178 1HD LYS 23 1HD LYS 23 -0.341 -2.925 -5.168 179 2HD LYS 23 2HD LYS 23 -1.217 -3.571 -3.781 180 1HE LYS 23 1HE LYS 23 -2.018 -5.315 -4.949 181 2HE LYS 23 2HE LYS 23 -2.317 -4.346 -6.386 182 1HZ LYS 23 1HZ LYS 23 -0.634 -6.007 -6.808 183 2HZ LYS 23 2HZ LYS 23 0.310 -5.433 -5.527 184 3HZ LYS 23 3HZ LYS 23 0.056 -4.463 -6.891 185 H ILE 24 H ILE 24 -4.849 0.918 -3.127 186 HA ILE 24 HA ILE 24 -6.937 -0.107 -1.349 187 HB ILE 24 HB ILE 24 -6.534 2.736 -2.262 188 1HG1 ILE 24 1HG1 ILE 24 -5.770 1.536 0.400 189 2HG1 ILE 24 2HG1 ILE 24 -4.627 1.760 -0.920 190 1HG2 ILE 24 1HG2 ILE 24 -7.858 2.451 0.258 191 2HG2 ILE 24 2HG2 ILE 24 -8.686 1.478 -0.952 192 3HG2 ILE 24 3HG2 ILE 24 -8.442 3.201 -1.227 193 1HD1 ILE 24 1HD1 ILE 24 -4.519 3.544 0.760 194 2HD1 ILE 24 2HD1 ILE 24 -6.194 3.961 0.400 195 3HD1 ILE 24 3HD1 ILE 24 -4.954 4.147 -0.840 196 H ILE 25 H ILE 25 -9.169 0.070 -1.878 197 HA ILE 25 HA ILE 25 -9.693 0.349 -4.756 198 HB ILE 25 HB ILE 25 -11.586 -1.238 -3.127 199 1HG1 ILE 25 1HG1 ILE 25 -9.328 -1.957 -2.301 200 2HG1 ILE 25 2HG1 ILE 25 -10.226 -3.235 -3.099 201 1HG2 ILE 25 1HG2 ILE 25 -10.998 -0.809 -5.853 202 2HG2 ILE 25 2HG2 ILE 25 -12.255 -1.833 -5.159 203 3HG2 ILE 25 3HG2 ILE 25 -10.667 -2.508 -5.517 204 1HD1 ILE 25 1HD1 ILE 25 -7.681 -2.049 -3.784 205 2HD1 ILE 25 2HD1 ILE 25 -8.800 -2.112 -5.146 206 3HD1 ILE 25 3HD1 ILE 25 -8.389 -3.585 -4.280 207 H VAL 26 H VAL 26 -11.563 1.418 -5.388 208 HA VAL 26 HA VAL 26 -13.047 2.783 -3.229 209 HB VAL 26 HB VAL 26 -12.396 3.959 -5.935 210 1HG1 VAL 26 1HG1 VAL 26 -14.175 4.744 -3.726 211 2HG1 VAL 26 2HG1 VAL 26 -14.251 5.142 -5.442 212 3HG1 VAL 26 3HG1 VAL 26 -13.160 6.031 -4.378 213 1HG2 VAL 26 1HG2 VAL 26 -11.118 4.274 -3.247 214 2HG2 VAL 26 2HG2 VAL 26 -11.097 5.602 -4.407 215 3HG2 VAL 26 3HG2 VAL 26 -10.362 4.054 -4.826 216 H ALA 27 H ALA 27 -15.079 2.014 -3.182 217 HA ALA 27 HA ALA 27 -16.331 1.331 -5.757 218 1HB ALA 27 1HB ALA 27 -16.465 -0.702 -4.808 219 2HB ALA 27 2HB ALA 27 -17.869 -0.008 -3.995 220 3HB ALA 27 3HB ALA 27 -16.311 -0.063 -3.171 221 H CYS 28 H CYS 28 -17.936 2.524 -6.393 222 HA CYS 28 HA CYS 28 -19.199 4.360 -4.496 223 1HB CYS 28 1HB CYS 28 -20.047 5.519 -6.488 224 2HB CYS 28 2HB CYS 28 -18.301 5.309 -6.564 225 HG CYS 28 HG CYS 28 -20.352 3.974 -8.427 226 H GLY 29 H GLY 29 -21.620 4.874 -5.512 227 1HA GLY 29 1HA GLY 29 -23.016 2.279 -5.287 228 2HA GLY 29 2HA GLY 29 -23.636 3.787 -4.631 229 H GLY 30 H GLY 30 -22.163 4.184 -7.669 230 1HA GLY 30 1HA GLY 30 -23.265 3.733 -9.816 231 2HA GLY 30 2HA GLY 30 -24.796 3.999 -8.998 232 H ALA 31 H ALA 31 -23.896 6.312 -7.513 233 HA ALA 31 HA ALA 31 -24.504 8.319 -9.417 234 1HB ALA 31 1HB ALA 31 -23.721 9.820 -7.412 235 2HB ALA 31 2HB ALA 31 -23.760 8.291 -6.533 236 3HB ALA 31 3HB ALA 31 -25.220 8.896 -7.316 237 H VAL 32 H VAL 32 -23.112 8.804 -10.997 238 HA VAL 32 HA VAL 32 -20.325 8.530 -10.896 239 HB VAL 32 HB VAL 32 -21.701 10.535 -12.676 240 1HG1 VAL 32 1HG1 VAL 32 -19.535 10.676 -13.302 241 2HG1 VAL 32 2HG1 VAL 32 -19.925 9.220 -14.219 242 3HG1 VAL 32 3HG1 VAL 32 -19.132 9.087 -12.650 243 1HG2 VAL 32 1HG2 VAL 32 -22.103 7.635 -12.559 244 2HG2 VAL 32 2HG2 VAL 32 -21.666 8.243 -14.155 245 3HG2 VAL 32 3HG2 VAL 32 -23.082 8.888 -13.324 246 H ALA 33 H ALA 33 -18.779 10.406 -11.247 247 HA ALA 33 HA ALA 33 -17.836 12.408 -10.676 248 1HB ALA 33 1HB ALA 33 -19.390 13.935 -9.121 249 2HB ALA 33 2HB ALA 33 -20.636 12.981 -9.918 250 3HB ALA 33 3HB ALA 33 -19.499 13.922 -10.879 251 H THR 34 H THR 34 -19.605 10.570 -8.260 252 HA THR 34 HA THR 34 -18.135 11.516 -6.022 253 HB THR 34 HB THR 34 -19.461 8.821 -6.142 254 HG1 THR 34 HG1 THR 34 -21.419 9.943 -5.649 255 1HG2 THR 34 1HG2 THR 34 -19.895 10.707 -3.925 256 2HG2 THR 34 2HG2 THR 34 -18.282 10.010 -4.065 257 3HG2 THR 34 3HG2 THR 34 -19.688 8.956 -3.908 258 H SER 35 H SER 35 -17.880 8.651 -8.089 259 HA SER 35 HA SER 35 -15.792 7.386 -6.718 260 1HB SER 35 1HB SER 35 -15.511 6.847 -9.503 261 2HB SER 35 2HB SER 35 -16.238 5.829 -8.261 262 HG SER 35 HG SER 35 -17.435 7.441 -10.158 263 H THR 36 H THR 36 -15.691 9.620 -9.483 264 HA THR 36 HA THR 36 -12.890 9.642 -9.759 265 HB THR 36 HB THR 36 -13.701 12.130 -10.644 266 HG1 THR 36 HG1 THR 36 -15.756 12.107 -11.006 267 1HG2 THR 36 1HG2 THR 36 -12.545 10.962 -12.215 268 2HG2 THR 36 2HG2 THR 36 -14.181 10.792 -12.850 269 3HG2 THR 36 3HG2 THR 36 -13.448 9.473 -11.937 270 H MET 37 H MET 37 -15.086 11.475 -7.746 271 HA MET 37 HA MET 37 -13.377 13.526 -6.919 272 1HB MET 37 1HB MET 37 -15.959 12.741 -6.316 273 2HB MET 37 2HB MET 37 -15.114 12.519 -4.791 274 1HG MET 37 1HG MET 37 -16.147 14.730 -4.982 275 2HG MET 37 2HG MET 37 -14.397 14.816 -4.796 276 1HE MET 37 1HE MET 37 -17.303 16.201 -7.532 277 2HE MET 37 2HE MET 37 -17.226 14.488 -7.119 278 3HE MET 37 3HE MET 37 -16.650 15.042 -8.690 279 H ALA 38 H ALA 38 -14.034 10.402 -5.354 280 HA ALA 38 HA ALA 38 -12.131 10.676 -3.302 281 1HB ALA 38 1HB ALA 38 -13.976 8.691 -4.207 282 2HB ALA 38 2HB ALA 38 -13.215 8.857 -2.624 283 3HB ALA 38 3HB ALA 38 -12.418 7.927 -3.894 284 H ALA 39 H ALA 39 -11.942 9.111 -6.488 285 HA ALA 39 HA ALA 39 -9.462 7.954 -6.351 286 1HB ALA 39 1HB ALA 39 -11.057 7.820 -8.264 287 2HB ALA 39 2HB ALA 39 -9.372 8.049 -8.734 288 3HB ALA 39 3HB ALA 39 -10.492 9.410 -8.775 289 H GLU 40 H GLU 40 -10.097 11.243 -7.570 290 HA GLU 40 HA GLU 40 -7.400 11.985 -7.810 291 1HB GLU 40 1HB GLU 40 -9.977 13.505 -7.620 292 2HB GLU 40 2HB GLU 40 -8.448 14.373 -7.573 293 1HG GLU 40 1HG GLU 40 -7.949 12.959 -9.727 294 2HG GLU 40 2HG GLU 40 -9.708 12.869 -9.804 295 H GLU 41 H GLU 41 -9.731 12.509 -5.197 296 HA GLU 41 HA GLU 41 -8.118 14.036 -3.503 297 1HB GLU 41 1HB GLU 41 -10.406 12.160 -2.958 298 2HB GLU 41 2HB GLU 41 -9.594 13.026 -1.661 299 1HG GLU 41 1HG GLU 41 -10.139 15.152 -2.783 300 2HG GLU 41 2HG GLU 41 -11.028 14.246 -4.007 301 H ILE 42 H ILE 42 -8.641 10.507 -3.478 302 HA ILE 42 HA ILE 42 -6.778 10.019 -1.409 303 HB ILE 42 HB ILE 42 -7.601 8.045 -3.540 304 1HG1 ILE 42 1HG1 ILE 42 -8.975 8.170 -0.898 305 2HG1 ILE 42 2HG1 ILE 42 -9.420 9.376 -2.100 306 1HG2 ILE 42 1HG2 ILE 42 -6.150 7.899 -0.983 307 2HG2 ILE 42 2HG2 ILE 42 -6.058 6.858 -2.403 308 3HG2 ILE 42 3HG2 ILE 42 -7.370 6.652 -1.241 309 1HD1 ILE 42 1HD1 ILE 42 -10.421 6.803 -1.850 310 2HD1 ILE 42 2HD1 ILE 42 -9.358 6.741 -3.255 311 3HD1 ILE 42 3HD1 ILE 42 -10.667 7.915 -3.193 312 H LYS 43 H LYS 43 -6.483 10.358 -4.870 313 HA LYS 43 HA LYS 43 -3.865 9.242 -5.080 314 1HB LYS 43 1HB LYS 43 -5.641 10.848 -6.871 315 2HB LYS 43 2HB LYS 43 -3.941 10.684 -7.281 316 1HG LYS 43 1HG LYS 43 -5.347 8.187 -6.604 317 2HG LYS 43 2HG LYS 43 -5.843 8.982 -8.099 318 1HD LYS 43 1HD LYS 43 -3.743 8.764 -9.061 319 2HD LYS 43 2HD LYS 43 -2.940 8.571 -7.502 320 1HE LYS 43 1HE LYS 43 -3.167 6.495 -8.965 321 2HE LYS 43 2HE LYS 43 -3.663 6.352 -7.279 322 1HZ LYS 43 1HZ LYS 43 -5.967 6.681 -7.989 323 2HZ LYS 43 2HZ LYS 43 -5.278 5.321 -8.723 324 3HZ LYS 43 3HZ LYS 43 -5.468 6.752 -9.605 325 H GLU 44 H GLU 44 -5.034 12.625 -5.185 326 HA GLU 44 HA GLU 44 -2.567 13.875 -5.325 327 1HB GLU 44 1HB GLU 44 -3.733 15.817 -4.161 328 2HB GLU 44 2HB GLU 44 -4.461 15.237 -5.651 329 1HG GLU 44 1HG GLU 44 -6.361 14.716 -4.635 330 2HG GLU 44 2HG GLU 44 -5.523 13.888 -3.327 331 H LEU 45 H LEU 45 -4.238 12.568 -2.525 332 HA LEU 45 HA LEU 45 -2.516 13.723 -0.579 333 1HB LEU 45 1HB LEU 45 -4.883 12.305 -0.533 334 2HB LEU 45 2HB LEU 45 -3.740 11.174 0.163 335 HG LEU 45 HG LEU 45 -4.944 12.571 1.837 336 1HD1 LEU 45 1HD1 LEU 45 -3.203 12.177 3.146 337 2HD1 LEU 45 2HD1 LEU 45 -2.310 13.515 2.423 338 3HD1 LEU 45 3HD1 LEU 45 -2.215 11.904 1.712 339 1HD2 LEU 45 1HD2 LEU 45 -4.987 14.632 0.433 340 2HD2 LEU 45 2HD2 LEU 45 -3.268 14.835 0.767 341 3HD2 LEU 45 3HD2 LEU 45 -4.434 14.894 2.086 342 H CYS 46 H CYS 46 -2.630 10.547 -2.149 343 HA CYS 46 HA CYS 46 -0.544 9.324 -0.770 344 1HB CYS 46 1HB CYS 46 -1.490 8.953 -3.615 345 2HB CYS 46 2HB CYS 46 -0.317 7.898 -2.833 346 HG CYS 46 HG CYS 46 -2.461 7.612 -1.030 347 H GLN 47 H GLN 47 -0.465 11.455 -3.584 348 HA GLN 47 HA GLN 47 2.369 11.169 -3.965 349 1HB GLN 47 1HB GLN 47 0.385 11.925 -5.612 350 2HB GLN 47 2HB GLN 47 0.937 13.511 -5.093 351 1HG GLN 47 1HG GLN 47 2.532 13.403 -6.615 352 2HG GLN 47 2HG GLN 47 3.252 12.067 -5.717 353 1HE2 GLN 47 1HE2 GLN 47 1.526 13.016 -8.515 354 2HE2 GLN 47 2HE2 GLN 47 1.429 11.460 -9.261 355 H SER 48 H SER 48 0.224 13.414 -2.350 356 HA SER 48 HA SER 48 1.879 15.583 -1.922 357 1HB SER 48 1HB SER 48 -0.392 14.378 -0.413 358 2HB SER 48 2HB SER 48 0.571 15.607 0.404 359 HG SER 48 HG SER 48 -0.812 15.858 -2.060 360 H HIS 49 H HIS 49 1.656 12.598 -0.015 361 HA HIS 49 HA HIS 49 3.966 13.435 1.577 362 1HB HIS 49 1HB HIS 49 2.300 10.946 1.937 363 2HB HIS 49 2HB HIS 49 3.401 11.676 3.099 364 HD1 HIS 49 HD1 HIS 49 0.622 11.123 4.047 365 HD2 HIS 49 HD2 HIS 49 1.694 14.698 2.166 366 HE1 HIS 49 HE1 HIS 49 -1.093 12.839 4.773 367 HE2 HIS 49 HE2 HIS 49 -0.479 14.955 3.549 368 H ASN 50 H ASN 50 3.616 12.015 -1.308 369 HA ASN 50 HA ASN 50 4.861 10.636 -2.603 370 1HB ASN 50 1HB ASN 50 6.976 11.018 -0.477 371 2HB ASN 50 2HB ASN 50 7.239 10.529 -2.149 372 1HD2 ASN 50 1HD2 ASN 50 6.483 12.095 -3.804 373 2HD2 ASN 50 2HD2 ASN 50 6.718 13.775 -3.481 374 H ILE 51 H ILE 51 3.170 9.048 -1.591 375 HA ILE 51 HA ILE 51 4.669 6.818 -0.367 376 HB ILE 51 HB ILE 51 1.702 7.273 -0.073 377 1HG1 ILE 51 1HG1 ILE 51 3.530 7.603 2.249 378 2HG1 ILE 51 2HG1 ILE 51 3.474 8.920 1.081 379 1HG2 ILE 51 1HG2 ILE 51 2.162 4.996 0.207 380 2HG2 ILE 51 2HG2 ILE 51 2.092 5.641 1.847 381 3HG2 ILE 51 3HG2 ILE 51 3.653 5.314 1.094 382 1HD1 ILE 51 1HD1 ILE 51 1.093 7.761 2.513 383 2HD1 ILE 51 2HD1 ILE 51 1.080 9.127 1.395 384 3HD1 ILE 51 3HD1 ILE 51 1.923 9.260 2.941 385 HA PRO 52 HA PRO 52 3.679 5.192 -4.530 386 1HB PRO 52 1HB PRO 52 5.078 2.885 -3.255 387 2HB PRO 52 2HB PRO 52 5.310 3.595 -4.858 388 1HG PRO 52 1HG PRO 52 7.061 4.057 -2.909 389 2HG PRO 52 2HG PRO 52 6.602 5.342 -4.042 390 1HD PRO 52 1HD PRO 52 5.768 4.926 -1.205 391 2HD PRO 52 2HD PRO 52 6.074 6.439 -2.083 392 H VAL 53 H VAL 53 1.645 4.518 -4.805 393 HA VAL 53 HA VAL 53 0.746 2.064 -3.583 394 HB VAL 53 HB VAL 53 0.231 3.931 -1.920 395 1HG1 VAL 53 1HG1 VAL 53 -1.662 4.687 -4.130 396 2HG1 VAL 53 2HG1 VAL 53 -0.513 5.709 -3.270 397 3HG1 VAL 53 3HG1 VAL 53 -1.952 5.111 -2.446 398 1HG2 VAL 53 1HG2 VAL 53 -0.965 1.612 -2.341 399 2HG2 VAL 53 2HG2 VAL 53 -2.332 2.661 -2.705 400 3HG2 VAL 53 3HG2 VAL 53 -1.543 2.751 -1.130 401 H GLU 54 H GLU 54 -1.400 1.387 -4.437 402 HA GLU 54 HA GLU 54 -1.943 2.646 -7.051 403 1HB GLU 54 1HB GLU 54 -2.391 -0.282 -6.552 404 2HB GLU 54 2HB GLU 54 -2.242 0.563 -8.084 405 1HG GLU 54 1HG GLU 54 0.168 0.861 -6.553 406 2HG GLU 54 2HG GLU 54 -0.264 -0.842 -6.702 407 H LEU 55 H LEU 55 -3.859 3.592 -7.006 408 HA LEU 55 HA LEU 55 -5.937 2.552 -5.238 409 1HB LEU 55 1HB LEU 55 -5.266 4.972 -5.219 410 2HB LEU 55 2HB LEU 55 -5.932 5.106 -6.834 411 HG LEU 55 HG LEU 55 -8.097 4.145 -5.659 412 1HD1 LEU 55 1HD1 LEU 55 -6.326 4.837 -3.448 413 2HD1 LEU 55 2HD1 LEU 55 -7.798 3.866 -3.463 414 3HD1 LEU 55 3HD1 LEU 55 -7.901 5.623 -3.360 415 1HD2 LEU 55 1HD2 LEU 55 -8.600 6.628 -5.052 416 2HD2 LEU 55 2HD2 LEU 55 -8.325 6.169 -6.731 417 3HD2 LEU 55 3HD2 LEU 55 -7.033 6.930 -5.801 418 H ILE 56 H ILE 56 -7.399 1.250 -6.020 419 HA ILE 56 HA ILE 56 -8.043 1.348 -8.888 420 HB ILE 56 HB ILE 56 -9.076 -1.049 -7.915 421 1HG1 ILE 56 1HG1 ILE 56 -6.370 -0.467 -6.705 422 2HG1 ILE 56 2HG1 ILE 56 -7.843 -0.871 -5.850 423 1HG2 ILE 56 1HG2 ILE 56 -6.651 -1.712 -9.064 424 2HG2 ILE 56 2HG2 ILE 56 -7.006 -0.124 -9.738 425 3HG2 ILE 56 3HG2 ILE 56 -8.169 -1.438 -9.920 426 1HD1 ILE 56 1HD1 ILE 56 -6.664 -2.802 -7.796 427 2HD1 ILE 56 2HD1 ILE 56 -7.710 -3.108 -6.412 428 3HD1 ILE 56 3HD1 ILE 56 -6.021 -2.666 -6.160 429 H GLN 57 H GLN 57 -10.254 1.130 -9.542 430 HA GLN 57 HA GLN 57 -12.170 1.828 -7.418 431 1HB GLN 57 1HB GLN 57 -11.710 3.695 -8.974 432 2HB GLN 57 2HB GLN 57 -12.197 2.679 -10.322 433 1HG GLN 57 1HG GLN 57 -14.198 2.879 -8.205 434 2HG GLN 57 2HG GLN 57 -13.812 4.412 -8.984 435 1HE2 GLN 57 1HE2 GLN 57 -16.306 3.175 -9.154 436 2HE2 GLN 57 2HE2 GLN 57 -16.577 2.705 -10.794 437 H CYS 58 H CYS 58 -13.860 0.458 -7.176 438 HA CYS 58 HA CYS 58 -14.618 -1.263 -9.422 439 1HB CYS 58 1HB CYS 58 -14.060 -2.218 -6.607 440 2HB CYS 58 2HB CYS 58 -14.743 -3.203 -7.893 441 HG CYS 58 HG CYS 58 -11.979 -2.049 -8.514 442 H ARG 59 H ARG 59 -16.743 -2.436 -8.906 443 HA ARG 59 HA ARG 59 -18.634 -0.488 -7.971 444 1HB ARG 59 1HB ARG 59 -18.776 -3.145 -9.333 445 2HB ARG 59 2HB ARG 59 -20.207 -2.554 -8.509 446 1HG ARG 59 1HG ARG 59 -20.389 -1.918 -10.785 447 2HG ARG 59 2HG ARG 59 -20.019 -0.461 -9.864 448 1HD ARG 59 1HD ARG 59 -17.867 -0.324 -10.691 449 2HD ARG 59 2HD ARG 59 -17.790 -2.046 -11.057 450 HE ARG 59 HE ARG 59 -18.478 -1.520 -13.152 451 1HH1 ARG 59 1HH1 ARG 59 -19.694 0.939 -10.991 452 2HH1 ARG 59 2HH1 ARG 59 -20.490 1.821 -12.246 453 1HH2 ARG 59 1HH2 ARG 59 -19.514 -0.351 -14.801 454 2HH2 ARG 59 2HH2 ARG 59 -20.389 1.091 -14.409 455 H VAL 60 H VAL 60 -20.630 -1.997 -6.851 456 HA VAL 60 HA VAL 60 -19.752 -2.217 -4.163 457 HB VAL 60 HB VAL 60 -22.063 -3.073 -3.723 458 1HG1 VAL 60 1HG1 VAL 60 -21.491 -0.498 -5.108 459 2HG1 VAL 60 2HG1 VAL 60 -21.960 -0.801 -3.434 460 3HG1 VAL 60 3HG1 VAL 60 -23.163 -0.907 -4.720 461 1HG2 VAL 60 1HG2 VAL 60 -23.561 -3.554 -5.364 462 2HG2 VAL 60 2HG2 VAL 60 -22.082 -3.962 -6.234 463 3HG2 VAL 60 3HG2 VAL 60 -22.858 -2.401 -6.498 464 H ASN 61 H ASN 61 -19.892 -4.481 -6.758 465 HA ASN 61 HA ASN 61 -19.107 -6.600 -4.892 466 1HB ASN 61 1HB ASN 61 -21.624 -6.531 -6.063 467 2HB ASN 61 2HB ASN 61 -20.720 -7.644 -7.083 468 1HD2 ASN 61 1HD2 ASN 61 -21.594 -6.948 -3.744 469 2HD2 ASN 61 2HD2 ASN 61 -21.526 -8.584 -3.195 470 H GLU 62 H GLU 62 -17.064 -5.705 -5.888 471 HA GLU 62 HA GLU 62 -16.298 -7.437 -8.102 472 1HB GLU 62 1HB GLU 62 -16.032 -4.436 -8.135 473 2HB GLU 62 2HB GLU 62 -15.051 -5.478 -9.153 474 1HG GLU 62 1HG GLU 62 -17.932 -5.980 -9.303 475 2HG GLU 62 2HG GLU 62 -17.425 -4.389 -9.863 476 H ILE 63 H ILE 63 -15.393 -5.269 -5.491 477 HA ILE 63 HA ILE 63 -12.620 -5.543 -5.594 478 HB ILE 63 HB ILE 63 -14.040 -5.379 -2.960 479 1HG1 ILE 63 1HG1 ILE 63 -13.725 -2.749 -3.826 480 2HG1 ILE 63 2HG1 ILE 63 -14.395 -3.579 -5.228 481 1HG2 ILE 63 1HG2 ILE 63 -11.513 -5.426 -3.286 482 2HG2 ILE 63 2HG2 ILE 63 -12.176 -4.132 -2.288 483 3HG2 ILE 63 3HG2 ILE 63 -11.694 -3.805 -3.953 484 1HD1 ILE 63 1HD1 ILE 63 -15.772 -4.297 -2.789 485 2HD1 ILE 63 2HD1 ILE 63 -16.411 -3.670 -4.309 486 3HD1 ILE 63 3HD1 ILE 63 -15.799 -2.559 -3.084 487 H GLU 64 H GLU 64 -15.068 -7.673 -4.290 488 HA GLU 64 HA GLU 64 -13.381 -9.322 -2.749 489 1HB GLU 64 1HB GLU 64 -15.814 -9.299 -2.488 490 2HB GLU 64 2HB GLU 64 -16.005 -9.976 -4.099 491 1HG GLU 64 1HG GLU 64 -14.614 -11.939 -3.236 492 2HG GLU 64 2HG GLU 64 -14.932 -11.287 -1.629 493 H THR 65 H THR 65 -14.452 -9.527 -6.118 494 HA THR 65 HA THR 65 -13.107 -12.012 -6.601 495 HB THR 65 HB THR 65 -13.551 -10.801 -9.074 496 HG1 THR 65 HG1 THR 65 -14.687 -9.124 -8.092 497 1HG2 THR 65 1HG2 THR 65 -15.886 -12.209 -8.081 498 2HG2 THR 65 2HG2 THR 65 -14.379 -13.082 -7.800 499 3HG2 THR 65 3HG2 THR 65 -14.818 -12.584 -9.433 500 H TYR 66 H TYR 66 -12.400 -8.613 -7.112 501 HA TYR 66 HA TYR 66 -9.901 -9.215 -8.467 502 1HB TYR 66 1HB TYR 66 -11.159 -6.573 -7.699 503 2HB TYR 66 2HB TYR 66 -9.672 -6.747 -8.620 504 HD1 TYR 66 HD1 TYR 66 -13.091 -8.278 -8.822 505 HD2 TYR 66 HD2 TYR 66 -9.955 -6.242 -10.847 506 HE1 TYR 66 HE1 TYR 66 -14.401 -8.346 -10.890 507 HE2 TYR 66 HE2 TYR 66 -11.258 -6.309 -12.930 508 HH TYR 66 HH TYR 66 -13.655 -6.495 -13.595 509 H MET 67 H MET 67 -10.610 -9.675 -5.469 510 HA MET 67 HA MET 67 -8.790 -8.026 -4.008 511 1HB MET 67 1HB MET 67 -10.823 -9.924 -3.431 512 2HB MET 67 2HB MET 67 -9.361 -10.475 -2.632 513 1HG MET 67 1HG MET 67 -10.679 -7.790 -2.318 514 2HG MET 67 2HG MET 67 -10.648 -9.101 -1.139 515 1HE MET 67 1HE MET 67 -8.975 -7.667 1.059 516 2HE MET 67 2HE MET 67 -7.709 -8.862 0.774 517 3HE MET 67 3HE MET 67 -9.401 -9.294 0.528 518 H ASP 68 H ASP 68 -7.337 -9.017 -6.121 519 HA ASP 68 HA ASP 68 -5.928 -11.398 -5.579 520 1HB ASP 68 1HB ASP 68 -6.137 -9.888 -7.751 521 2HB ASP 68 2HB ASP 68 -4.639 -9.201 -7.131 522 H GLY 69 H GLY 69 -5.265 -8.010 -4.810 523 1HA GLY 69 1HA GLY 69 -3.578 -8.766 -2.615 524 2HA GLY 69 2HA GLY 69 -2.663 -8.101 -3.961 525 H VAL 70 H VAL 70 -5.493 -7.397 -1.946 526 HA VAL 70 HA VAL 70 -4.986 -4.536 -2.300 527 HB VAL 70 HB VAL 70 -7.394 -5.865 -1.086 528 1HG1 VAL 70 1HG1 VAL 70 -6.573 -3.295 -0.827 529 2HG1 VAL 70 2HG1 VAL 70 -8.234 -3.847 -0.707 530 3HG1 VAL 70 3HG1 VAL 70 -7.635 -3.194 -2.223 531 1HG2 VAL 70 1HG2 VAL 70 -7.015 -4.804 -3.882 532 2HG2 VAL 70 2HG2 VAL 70 -8.526 -5.414 -3.206 533 3HG2 VAL 70 3HG2 VAL 70 -7.157 -6.504 -3.432 534 H HIS 71 H HIS 71 -4.278 -3.303 -0.702 535 HA HIS 71 HA HIS 71 -3.773 -4.545 1.879 536 1HB HIS 71 1HB HIS 71 -2.137 -3.057 0.435 537 2HB HIS 71 2HB HIS 71 -2.967 -1.741 1.259 538 HD1 HIS 71 HD1 HIS 71 -3.286 -3.384 3.996 539 HD2 HIS 71 HD2 HIS 71 0.236 -2.713 1.848 540 HE1 HIS 71 HE1 HIS 71 -1.390 -3.605 5.665 541 HE2 HIS 71 HE2 HIS 71 0.699 -3.045 4.372 542 H LEU 72 H LEU 72 -5.929 -2.251 0.427 543 HA LEU 72 HA LEU 72 -7.449 -2.041 2.850 544 1HB LEU 72 1HB LEU 72 -5.837 0.272 1.845 545 2HB LEU 72 2HB LEU 72 -7.386 0.569 2.605 546 HG LEU 72 HG LEU 72 -5.599 -1.172 4.157 547 1HD1 LEU 72 1HD1 LEU 72 -3.839 0.175 4.470 548 2HD1 LEU 72 2HD1 LEU 72 -4.833 1.632 4.445 549 3HD1 LEU 72 3HD1 LEU 72 -4.313 0.894 2.930 550 1HD2 LEU 72 1HD2 LEU 72 -6.305 0.551 5.908 551 2HD2 LEU 72 2HD2 LEU 72 -7.560 -0.485 5.227 552 3HD2 LEU 72 3HD2 LEU 72 -7.387 1.178 4.665 553 H ILE 73 H ILE 73 -9.581 -1.551 2.436 554 HA ILE 73 HA ILE 73 -10.241 -0.689 -0.304 555 HB ILE 73 HB ILE 73 -11.885 -2.250 -0.644 556 1HG1 ILE 73 1HG1 ILE 73 -12.454 -3.749 1.569 557 2HG1 ILE 73 2HG1 ILE 73 -12.203 -2.161 2.274 558 1HG2 ILE 73 1HG2 ILE 73 -10.830 -4.258 -0.565 559 2HG2 ILE 73 2HG2 ILE 73 -10.331 -4.060 1.115 560 3HG2 ILE 73 3HG2 ILE 73 -9.480 -3.199 -0.164 561 1HD1 ILE 73 1HD1 ILE 73 -14.555 -3.012 1.330 562 2HD1 ILE 73 2HD1 ILE 73 -13.908 -2.248 -0.121 563 3HD1 ILE 73 3HD1 ILE 73 -14.076 -1.317 1.367 564 H CYS 74 H CYS 74 -12.062 0.610 -0.580 565 HA CYS 74 HA CYS 74 -13.242 1.653 1.908 566 1HB CYS 74 1HB CYS 74 -11.578 3.219 0.864 567 2HB CYS 74 2HB CYS 74 -12.617 3.293 -0.554 568 HG CYS 74 HG CYS 74 -13.429 5.274 0.724 569 H THR 75 H THR 75 -15.254 0.823 1.892 570 HA THR 75 HA THR 75 -16.969 1.474 -0.385 571 HB THR 75 HB THR 75 -17.142 -1.248 0.883 572 HG1 THR 75 HG1 THR 75 -15.664 -0.577 -1.439 573 1HG2 THR 75 1HG2 THR 75 -17.955 -0.310 -1.854 574 2HG2 THR 75 2HG2 THR 75 -19.044 -0.450 -0.473 575 3HG2 THR 75 3HG2 THR 75 -18.263 -1.888 -1.130 576 H THR 76 H THR 76 -19.246 1.451 0.138 577 HA THR 76 HA THR 76 -19.720 2.342 2.841 578 HB THR 76 HB THR 76 -22.076 1.996 1.126 579 HG1 THR 76 HG1 THR 76 -21.476 3.421 -0.435 580 1HG2 THR 76 1HG2 THR 76 -22.390 4.375 1.596 581 2HG2 THR 76 2HG2 THR 76 -20.832 4.405 2.423 582 3HG2 THR 76 3HG2 THR 76 -22.153 3.429 3.065 583 H ALA 77 H ALA 77 -19.098 0.129 3.650 584 HA ALA 77 HA ALA 77 -21.401 -1.239 4.536 585 1HB ALA 77 1HB ALA 77 -20.330 -3.446 3.294 586 2HB ALA 77 2HB ALA 77 -20.212 -2.197 2.053 587 3HB ALA 77 3HB ALA 77 -21.773 -2.571 2.783 588 H ARG 78 H ARG 78 -18.145 -2.401 3.637 589 HA ARG 78 HA ARG 78 -16.384 -3.103 4.895 590 1HB ARG 78 1HB ARG 78 -17.182 -0.927 6.212 591 2HB ARG 78 2HB ARG 78 -17.559 -2.118 7.447 592 1HG ARG 78 1HG ARG 78 -14.907 -2.475 6.330 593 2HG ARG 78 2HG ARG 78 -15.131 -0.882 7.035 594 1HD ARG 78 1HD ARG 78 -16.176 -2.268 9.007 595 2HD ARG 78 2HD ARG 78 -15.207 -3.570 8.315 596 HE ARG 78 HE ARG 78 -13.288 -2.488 9.000 597 1HH1 ARG 78 1HH1 ARG 78 -16.049 -0.404 9.465 598 2HH1 ARG 78 2HH1 ARG 78 -15.166 0.768 10.382 599 1HH2 ARG 78 1HH2 ARG 78 -12.123 -0.942 10.199 600 2HH2 ARG 78 2HH2 ARG 78 -12.937 0.464 10.798 601 H VAL 79 H VAL 79 -18.527 -4.851 4.408 602 HA VAL 79 HA VAL 79 -19.393 -6.226 6.720 603 HB VAL 79 HB VAL 79 -20.580 -6.445 4.604 604 1HG1 VAL 79 1HG1 VAL 79 -19.719 -7.314 2.660 605 2HG1 VAL 79 2HG1 VAL 79 -18.460 -8.223 3.494 606 3HG1 VAL 79 3HG1 VAL 79 -18.311 -6.476 3.310 607 1HG2 VAL 79 1HG2 VAL 79 -20.139 -9.181 4.569 608 2HG2 VAL 79 2HG2 VAL 79 -21.299 -8.315 5.579 609 3HG2 VAL 79 3HG2 VAL 79 -19.694 -8.691 6.202 610 H ASP 80 H ASP 80 -17.528 -6.536 8.001 611 HA ASP 80 HA ASP 80 -15.539 -8.435 6.974 612 1HB ASP 80 1HB ASP 80 -14.199 -7.767 8.959 613 2HB ASP 80 2HB ASP 80 -14.589 -6.412 7.904 614 H ARG 81 H ARG 81 -18.355 -8.458 8.714 615 HA ARG 81 HA ARG 81 -18.097 -9.950 10.957 616 1HB ARG 81 1HB ARG 81 -20.259 -11.116 10.247 617 2HB ARG 81 2HB ARG 81 -20.281 -9.360 10.344 618 1HG ARG 81 1HG ARG 81 -19.854 -9.327 7.869 619 2HG ARG 81 2HG ARG 81 -20.137 -11.067 7.874 620 1HD ARG 81 1HD ARG 81 -22.122 -9.607 7.287 621 2HD ARG 81 2HD ARG 81 -22.374 -10.800 8.559 622 HE ARG 81 HE ARG 81 -21.691 -8.052 9.304 623 1HH1 ARG 81 1HH1 ARG 81 -24.054 -10.627 9.184 624 2HH1 ARG 81 2HH1 ARG 81 -25.103 -9.879 10.338 625 1HH2 ARG 81 1HH2 ARG 81 -23.076 -7.073 10.812 626 2HH2 ARG 81 2HH2 ARG 81 -24.551 -7.864 11.261 627 H SER 82 H SER 82 -17.601 -11.081 7.694 628 HA SER 82 HA SER 82 -16.331 -13.484 8.708 629 1HB SER 82 1HB SER 82 -18.291 -14.031 6.539 630 2HB SER 82 2HB SER 82 -17.755 -15.065 7.862 631 HG SER 82 HG SER 82 -19.943 -14.342 8.076 632 H PHE 83 H PHE 83 -15.359 -11.168 7.390 633 HA PHE 83 HA PHE 83 -14.635 -12.214 4.739 634 1HB PHE 83 1HB PHE 83 -15.632 -9.733 5.474 635 2HB PHE 83 2HB PHE 83 -13.912 -9.447 5.279 636 HD1 PHE 83 HD1 PHE 83 -12.825 -10.029 3.082 637 HD2 PHE 83 HD2 PHE 83 -17.045 -9.970 3.624 638 HE1 PHE 83 HE1 PHE 83 -13.132 -9.874 0.645 639 HE2 PHE 83 HE2 PHE 83 -17.361 -9.817 1.190 640 HZ PHE 83 HZ PHE 83 -15.403 -9.768 -0.304 641 H GLY 84 H GLY 84 -13.351 -13.218 7.058 642 1HA GLY 84 1HA GLY 84 -11.238 -13.687 7.818 643 2HA GLY 84 2HA GLY 84 -10.653 -12.967 6.327 644 H ASP 85 H ASP 85 -9.999 -10.806 6.306 645 HA ASP 85 HA ASP 85 -10.154 -9.226 8.722 646 1HB ASP 85 1HB ASP 85 -7.996 -10.919 8.520 647 2HB ASP 85 2HB ASP 85 -7.366 -9.437 7.809 648 H ILE 86 H ILE 86 -10.973 -9.096 5.896 649 HA ILE 86 HA ILE 86 -9.377 -7.393 4.379 650 HB ILE 86 HB ILE 86 -11.340 -8.595 3.496 651 1HG1 ILE 86 1HG1 ILE 86 -11.772 -5.651 3.050 652 2HG1 ILE 86 2HG1 ILE 86 -10.323 -6.459 2.466 653 1HG2 ILE 86 1HG2 ILE 86 -13.048 -6.479 4.746 654 2HG2 ILE 86 2HG2 ILE 86 -12.765 -8.032 5.513 655 3HG2 ILE 86 3HG2 ILE 86 -13.557 -7.954 3.938 656 1HD1 ILE 86 1HD1 ILE 86 -13.170 -6.917 1.654 657 2HD1 ILE 86 2HD1 ILE 86 -11.888 -8.073 1.290 658 3HD1 ILE 86 3HD1 ILE 86 -11.799 -6.430 0.655 659 HA PRO 87 HA PRO 87 -9.786 -3.837 7.158 660 1HB PRO 87 1HB PRO 87 -7.893 -2.334 5.917 661 2HB PRO 87 2HB PRO 87 -7.496 -3.623 7.059 662 1HG PRO 87 1HG PRO 87 -7.531 -3.701 4.060 663 2HG PRO 87 2HG PRO 87 -6.301 -4.325 5.178 664 1HD PRO 87 1HD PRO 87 -8.130 -5.949 4.055 665 2HD PRO 87 2HD PRO 87 -7.555 -6.194 5.714 666 H LEU 88 H LEU 88 -11.971 -3.543 6.145 667 HA LEU 88 HA LEU 88 -11.949 -1.646 3.913 668 1HB LEU 88 1HB LEU 88 -14.586 -2.430 4.851 669 2HB LEU 88 2HB LEU 88 -13.921 -2.467 3.250 670 HG LEU 88 HG LEU 88 -12.664 -4.603 4.364 671 1HD1 LEU 88 1HD1 LEU 88 -15.138 -4.101 5.896 672 2HD1 LEU 88 2HD1 LEU 88 -13.671 -4.953 6.362 673 3HD1 LEU 88 3HD1 LEU 88 -14.873 -5.752 5.348 674 1HD2 LEU 88 1HD2 LEU 88 -14.461 -5.953 3.223 675 2HD2 LEU 88 2HD2 LEU 88 -13.693 -4.718 2.230 676 3HD2 LEU 88 3HD2 LEU 88 -15.293 -4.430 2.910 677 H VAL 89 H VAL 89 -13.206 0.275 3.976 678 HA VAL 89 HA VAL 89 -13.973 1.235 6.637 679 HB VAL 89 HB VAL 89 -12.902 3.482 5.967 680 1HG1 VAL 89 1HG1 VAL 89 -10.574 2.512 6.706 681 2HG1 VAL 89 2HG1 VAL 89 -11.518 1.048 6.981 682 3HG1 VAL 89 3HG1 VAL 89 -11.941 2.540 7.821 683 1HG2 VAL 89 1HG2 VAL 89 -10.759 3.053 4.619 684 2HG2 VAL 89 2HG2 VAL 89 -12.279 3.184 3.734 685 3HG2 VAL 89 3HG2 VAL 89 -11.574 1.598 4.045 686 H HIS 90 H HIS 90 -15.619 2.757 6.654 687 HA HIS 90 HA HIS 90 -17.200 2.894 4.237 688 1HB HIS 90 1HB HIS 90 -17.865 4.326 6.794 689 2HB HIS 90 2HB HIS 90 -18.960 3.687 5.575 690 HD1 HIS 90 HD1 HIS 90 -17.889 3.037 8.874 691 HD2 HIS 90 HD2 HIS 90 -18.634 0.641 5.531 692 HE1 HIS 90 HE1 HIS 90 -18.296 0.698 9.762 693 HE2 HIS 90 HE2 HIS 90 -18.876 -0.689 7.739 694 H GLY 91 H GLY 91 -17.834 4.786 3.161 695 1HA GLY 91 1HA GLY 91 -16.206 7.172 3.786 696 2HA GLY 91 2HA GLY 91 -16.438 6.609 2.137 697 H MET 92 H MET 92 -19.029 6.474 4.456 698 HA MET 92 HA MET 92 -20.906 7.757 2.889 699 1HB MET 92 1HB MET 92 -20.996 6.468 5.250 700 2HB MET 92 2HB MET 92 -21.163 8.123 5.818 701 1HG MET 92 1HG MET 92 -23.128 8.451 4.504 702 2HG MET 92 2HG MET 92 -22.907 6.900 3.696 703 1HE MET 92 1HE MET 92 -23.824 8.488 7.389 704 2HE MET 92 2HE MET 92 -22.226 7.745 7.321 705 3HE MET 92 3HE MET 92 -23.517 6.972 8.239 706 HA PRO 93 HA PRO 93 -19.990 11.893 5.216 707 1HB PRO 93 1HB PRO 93 -17.677 12.120 6.577 708 2HB PRO 93 2HB PRO 93 -19.135 11.435 7.310 709 1HG PRO 93 1HG PRO 93 -16.789 10.016 6.098 710 2HG PRO 93 2HG PRO 93 -17.601 9.695 7.640 711 1HD PRO 93 1HD PRO 93 -18.099 8.256 5.413 712 2HD PRO 93 2HD PRO 93 -19.360 8.592 6.618 713 H PHE 94 H PHE 94 -17.256 10.143 3.830 714 HA PHE 94 HA PHE 94 -15.787 12.364 2.927 715 1HB PHE 94 1HB PHE 94 -15.590 9.548 2.748 716 2HB PHE 94 2HB PHE 94 -15.552 10.146 1.095 717 HD1 PHE 94 HD1 PHE 94 -13.280 9.441 0.729 718 HD2 PHE 94 HD2 PHE 94 -14.232 12.134 3.889 719 HE1 PHE 94 HE1 PHE 94 -10.897 9.989 0.978 720 HE2 PHE 94 HE2 PHE 94 -11.848 12.688 4.135 721 HZ PHE 94 HZ PHE 94 -10.180 11.615 2.683 722 H VAL 95 H VAL 95 -18.496 10.618 1.562 723 HA VAL 95 HA VAL 95 -18.401 11.909 -0.993 724 HB VAL 95 HB VAL 95 -20.667 10.408 0.328 725 1HG1 VAL 95 1HG1 VAL 95 -21.822 11.376 -1.355 726 2HG1 VAL 95 2HG1 VAL 95 -21.076 10.094 -2.310 727 3HG1 VAL 95 3HG1 VAL 95 -20.373 11.712 -2.302 728 1HG2 VAL 95 1HG2 VAL 95 -19.845 8.648 -1.405 729 2HG2 VAL 95 2HG2 VAL 95 -19.002 8.821 0.134 730 3HG2 VAL 95 3HG2 VAL 95 -18.331 9.549 -1.325 731 H SER 96 H SER 96 -19.578 12.791 2.099 732 HA SER 96 HA SER 96 -21.751 14.421 1.418 733 1HB SER 96 1HB SER 96 -20.291 13.795 3.760 734 2HB SER 96 2HB SER 96 -20.322 15.551 3.636 735 HG SER 96 HG SER 96 -22.593 13.855 3.470 736 H GLY 97 H GLY 97 -18.290 15.044 1.410 737 1HA GLY 97 1HA GLY 97 -17.139 16.669 0.225 738 2HA GLY 97 2HA GLY 97 -18.678 17.323 -0.310 739 H VAL 98 H VAL 98 -19.098 17.148 2.892 740 HA VAL 98 HA VAL 98 -18.047 19.864 3.319 741 HB VAL 98 HB VAL 98 -20.509 19.700 3.364 742 1HG1 VAL 98 1HG1 VAL 98 -20.457 17.332 4.312 743 2HG1 VAL 98 2HG1 VAL 98 -21.700 18.421 4.922 744 3HG1 VAL 98 3HG1 VAL 98 -20.260 18.097 5.888 745 1HG2 VAL 98 1HG2 VAL 98 -18.956 21.154 4.971 746 2HG2 VAL 98 2HG2 VAL 98 -19.823 20.228 6.196 747 3HG2 VAL 98 3HG2 VAL 98 -20.717 21.216 5.040 748 H GLY 99 H GLY 99 -17.560 16.680 4.177 749 1HA GLY 99 1HA GLY 99 -16.218 17.513 6.668 750 2HA GLY 99 2HA GLY 99 -17.149 16.025 6.591 751 H ILE 100 H ILE 100 -15.505 16.703 3.695 752 HA ILE 100 HA ILE 100 -13.902 14.398 3.891 753 HB ILE 100 HB ILE 100 -12.870 15.074 1.807 754 1HG1 ILE 100 1HG1 ILE 100 -14.339 17.706 2.051 755 2HG1 ILE 100 2HG1 ILE 100 -12.633 17.503 2.435 756 1HG2 ILE 100 1HG2 ILE 100 -14.879 14.105 1.302 757 2HG2 ILE 100 2HG2 ILE 100 -15.091 15.684 0.546 758 3HG2 ILE 100 3HG2 ILE 100 -15.816 15.356 2.119 759 1HD1 ILE 100 1HD1 ILE 100 -12.046 17.155 0.227 760 2HD1 ILE 100 2HD1 ILE 100 -13.289 18.401 0.123 761 3HD1 ILE 100 3HD1 ILE 100 -13.689 16.724 -0.247 762 H GLU 101 H GLU 101 -13.182 17.835 4.324 763 HA GLU 101 HA GLU 101 -10.417 17.683 4.560 764 1HB GLU 101 1HB GLU 101 -10.657 19.747 6.006 765 2HB GLU 101 2HB GLU 101 -11.400 19.833 4.415 766 1HG GLU 101 1HG GLU 101 -13.468 18.917 5.919 767 2HG GLU 101 2HG GLU 101 -12.615 19.941 7.075 768 H ALA 102 H ALA 102 -12.878 17.436 7.119 769 HA ALA 102 HA ALA 102 -11.056 17.027 9.233 770 1HB ALA 102 1HB ALA 102 -13.224 15.864 10.227 771 2HB ALA 102 2HB ALA 102 -13.978 16.684 8.859 772 3HB ALA 102 3HB ALA 102 -13.089 17.615 10.065 773 H LEU 103 H LEU 103 -12.935 14.736 7.264 774 HA LEU 103 HA LEU 103 -11.964 12.417 8.555 775 1HB LEU 103 1HB LEU 103 -14.000 12.696 7.005 776 2HB LEU 103 2HB LEU 103 -12.859 12.490 5.694 777 HG LEU 103 HG LEU 103 -12.953 10.446 7.871 778 1HD1 LEU 103 1HD1 LEU 103 -14.681 9.224 6.684 779 2HD1 LEU 103 2HD1 LEU 103 -14.841 10.545 5.526 780 3HD1 LEU 103 3HD1 LEU 103 -15.284 10.794 7.215 781 1HD2 LEU 103 1HD2 LEU 103 -12.727 9.474 5.182 782 2HD2 LEU 103 2HD2 LEU 103 -11.576 9.357 6.512 783 3HD2 LEU 103 3HD2 LEU 103 -11.559 10.766 5.453 784 H GLN 104 H GLN 104 -10.872 14.210 5.702 785 HA GLN 104 HA GLN 104 -8.924 12.421 4.806 786 1HB GLN 104 1HB GLN 104 -9.782 14.840 3.950 787 2HB GLN 104 2HB GLN 104 -8.242 15.301 4.655 788 1HG GLN 104 1HG GLN 104 -7.055 14.306 3.030 789 2HG GLN 104 2HG GLN 104 -8.166 12.944 2.903 790 1HE2 GLN 104 1HE2 GLN 104 -9.753 12.980 1.382 791 2HE2 GLN 104 2HE2 GLN 104 -9.946 14.240 0.218 792 H ASN 105 H ASN 105 -8.599 15.141 7.098 793 HA ASN 105 HA ASN 105 -5.895 14.788 7.660 794 1HB ASN 105 1HB ASN 105 -7.235 16.775 8.325 795 2HB ASN 105 2HB ASN 105 -7.989 15.799 9.585 796 1HD2 ASN 105 1HD2 ASN 105 -4.736 16.532 8.369 797 2HD2 ASN 105 2HD2 ASN 105 -4.015 16.739 9.926 798 H LYS 106 H LYS 106 -8.727 13.209 9.055 799 HA LYS 106 HA LYS 106 -7.269 11.942 11.153 800 1HB LYS 106 1HB LYS 106 -9.986 12.188 10.420 801 2HB LYS 106 2HB LYS 106 -9.637 10.465 10.461 802 1HG LYS 106 1HG LYS 106 -8.577 11.966 12.741 803 2HG LYS 106 2HG LYS 106 -10.336 11.966 12.615 804 1HD LYS 106 1HD LYS 106 -10.498 9.724 12.996 805 2HD LYS 106 2HD LYS 106 -8.946 9.374 12.233 806 1HE LYS 106 1HE LYS 106 -7.880 9.435 14.189 807 2HE LYS 106 2HE LYS 106 -8.615 10.979 14.616 808 1HZ LYS 106 1HZ LYS 106 -10.172 8.487 14.830 809 2HZ LYS 106 2HZ LYS 106 -10.381 9.948 15.656 810 3HZ LYS 106 3HZ LYS 106 -9.096 8.924 16.060 811 H ILE 107 H ILE 107 -8.295 10.945 7.911 812 HA ILE 107 HA ILE 107 -7.478 8.263 8.151 813 HB ILE 107 HB ILE 107 -8.948 9.389 6.322 814 1HG1 ILE 107 1HG1 ILE 107 -8.370 7.529 4.740 815 2HG1 ILE 107 2HG1 ILE 107 -6.976 7.170 5.754 816 1HG2 ILE 107 1HG2 ILE 107 -6.223 9.603 5.047 817 2HG2 ILE 107 2HG2 ILE 107 -7.310 10.931 5.442 818 3HG2 ILE 107 3HG2 ILE 107 -7.761 9.769 4.201 819 1HD1 ILE 107 1HD1 ILE 107 -9.876 6.990 6.529 820 2HD1 ILE 107 2HD1 ILE 107 -8.528 6.769 7.645 821 3HD1 ILE 107 3HD1 ILE 107 -8.743 5.658 6.293 822 H LEU 108 H LEU 108 -5.705 11.168 7.171 823 HA LEU 108 HA LEU 108 -3.396 9.705 6.331 824 1HB LEU 108 1HB LEU 108 -2.321 11.767 5.998 825 2HB LEU 108 2HB LEU 108 -3.997 12.034 5.565 826 HG LEU 108 HG LEU 108 -4.194 12.938 8.018 827 1HD1 LEU 108 1HD1 LEU 108 -2.114 12.483 8.965 828 2HD1 LEU 108 2HD1 LEU 108 -1.994 14.180 8.516 829 3HD1 LEU 108 3HD1 LEU 108 -1.243 12.946 7.504 830 1HD2 LEU 108 1HD2 LEU 108 -3.187 14.211 5.539 831 2HD2 LEU 108 2HD2 LEU 108 -3.126 15.159 7.025 832 3HD2 LEU 108 3HD2 LEU 108 -4.664 14.517 6.448 833 H THR 109 H THR 109 -4.370 11.303 9.322 834 HA THR 109 HA THR 109 -1.944 11.155 10.692 835 HB THR 109 HB THR 109 -4.684 10.837 11.924 836 HG1 THR 109 HG1 THR 109 -3.408 13.044 10.793 837 1HG2 THR 109 1HG2 THR 109 -3.824 11.447 13.918 838 2HG2 THR 109 2HG2 THR 109 -2.549 12.429 13.198 839 3HG2 THR 109 3HG2 THR 109 -2.388 10.674 13.249 840 H ILE 110 H ILE 110 -4.508 8.751 10.330 841 HA ILE 110 HA ILE 110 -3.361 6.867 12.132 842 HB ILE 110 HB ILE 110 -5.307 6.347 9.879 843 1HG1 ILE 110 1HG1 ILE 110 -5.931 6.827 12.796 844 2HG1 ILE 110 2HG1 ILE 110 -6.001 8.094 11.576 845 1HG2 ILE 110 1HG2 ILE 110 -4.989 4.212 10.438 846 2HG2 ILE 110 2HG2 ILE 110 -5.820 4.586 11.947 847 3HG2 ILE 110 3HG2 ILE 110 -4.059 4.645 11.873 848 1HD1 ILE 110 1HD1 ILE 110 -7.581 5.551 11.377 849 2HD1 ILE 110 2HD1 ILE 110 -7.787 7.038 10.453 850 3HD1 ILE 110 3HD1 ILE 110 -8.183 7.005 12.171 851 H LEU 111 H LEU 111 -3.275 7.270 8.613 852 HA LEU 111 HA LEU 111 -1.903 4.928 7.970 853 1HB LEU 111 1HB LEU 111 -2.113 7.620 6.672 854 2HB LEU 111 2HB LEU 111 -1.045 6.401 6.001 855 HG LEU 111 HG LEU 111 -4.024 6.097 6.393 856 1HD1 LEU 111 1HD1 LEU 111 -4.233 6.305 4.034 857 2HD1 LEU 111 2HD1 LEU 111 -2.483 6.333 3.819 858 3HD1 LEU 111 3HD1 LEU 111 -3.297 7.688 4.600 859 1HD2 LEU 111 1HD2 LEU 111 -3.679 4.050 4.996 860 2HD2 LEU 111 2HD2 LEU 111 -2.989 3.959 6.616 861 3HD2 LEU 111 3HD2 LEU 111 -1.944 4.259 5.229 862 H GLN 112 H GLN 112 -0.719 8.049 9.084 863 HA GLN 112 HA GLN 112 2.052 7.248 8.775 864 1HB GLN 112 1HB GLN 112 2.579 9.470 9.654 865 2HB GLN 112 2HB GLN 112 1.426 9.570 8.331 866 1HG GLN 112 1HG GLN 112 -0.374 9.985 9.827 867 2HG GLN 112 2HG GLN 112 0.628 9.617 11.228 868 1HE2 GLN 112 1HE2 GLN 112 -0.162 11.730 11.931 869 2HE2 GLN 112 2HE2 GLN 112 0.688 13.146 11.422 870 H GLY 113 H GLY 113 -0.207 6.359 10.914 871 1HA GLY 113 1HA GLY 113 1.325 6.748 13.353 872 2HA GLY 113 2HA GLY 113 -0.238 5.958 13.217 Start of MODEL 8 1 1H MET 1 1H MET 1 29.956 -21.728 4.083 2 2H MET 1 2H MET 1 29.640 -22.706 5.458 3 3H MET 1 3H MET 1 28.401 -21.715 4.804 4 HA MET 1 HA MET 1 29.700 -23.943 3.390 5 1HB MET 1 1HB MET 1 27.672 -23.874 5.445 6 2HB MET 1 2HB MET 1 26.997 -24.498 3.947 7 1HG MET 1 1HG MET 1 28.930 -26.095 3.862 8 2HG MET 1 2HG MET 1 29.338 -25.567 5.494 9 1HE MET 1 1HE MET 1 27.207 -27.177 3.103 10 2HE MET 1 2HE MET 1 25.648 -27.427 3.889 11 3HE MET 1 3HE MET 1 26.888 -28.677 3.974 12 H GLY 2 H GLY 2 28.580 -20.993 2.898 13 1HA GLY 2 1HA GLY 2 26.384 -21.215 1.176 14 2HA GLY 2 2HA GLY 2 27.570 -19.918 1.142 15 H SER 3 H SER 3 26.247 -21.116 -1.117 16 HA SER 3 HA SER 3 28.513 -22.433 -2.461 17 1HB SER 3 1HB SER 3 26.625 -23.890 -2.516 18 2HB SER 3 2HB SER 3 25.543 -22.579 -2.984 19 HG SER 3 HG SER 3 26.474 -22.535 -4.993 20 H SER 4 H SER 4 26.347 -19.723 -2.515 21 HA SER 4 HA SER 4 27.981 -18.197 -4.205 22 1HB SER 4 1HB SER 4 25.931 -19.836 -5.543 23 2HB SER 4 2HB SER 4 25.906 -18.130 -5.985 24 HG SER 4 HG SER 4 27.379 -19.736 -7.139 25 H HIS 5 H HIS 5 26.973 -16.099 -4.783 26 HA HIS 5 HA HIS 5 24.659 -15.458 -3.086 27 1HB HIS 5 1HB HIS 5 27.195 -13.828 -3.340 28 2HB HIS 5 2HB HIS 5 25.745 -13.316 -2.481 29 HD1 HIS 5 HD1 HIS 5 25.016 -15.097 -0.474 30 HD2 HIS 5 HD2 HIS 5 29.002 -15.035 -1.734 31 HE1 HIS 5 HE1 HIS 5 26.361 -16.171 1.388 32 HE2 HIS 5 HE2 HIS 5 28.763 -16.048 0.634 33 H HIS 6 H HIS 6 23.082 -14.830 -4.397 34 HA HIS 6 HA HIS 6 23.688 -13.606 -6.960 35 1HB HIS 6 1HB HIS 6 21.940 -15.388 -6.703 36 2HB HIS 6 2HB HIS 6 20.983 -14.244 -5.768 37 HD1 HIS 6 HD1 HIS 6 22.496 -12.253 -8.269 38 HD2 HIS 6 HD2 HIS 6 19.342 -14.997 -8.238 39 HE1 HIS 6 HE1 HIS 6 21.103 -11.749 -10.328 40 HE2 HIS 6 HE2 HIS 6 19.263 -13.471 -10.326 41 H HIS 7 H HIS 7 24.530 -11.932 -5.018 42 HA HIS 7 HA HIS 7 24.437 -9.772 -4.330 43 1HB HIS 7 1HB HIS 7 23.056 -9.843 -6.814 44 2HB HIS 7 2HB HIS 7 22.167 -8.764 -5.745 45 HD1 HIS 7 HD1 HIS 7 25.927 -9.265 -6.149 46 HD2 HIS 7 HD2 HIS 7 23.009 -6.287 -6.435 47 HE1 HIS 7 HE1 HIS 7 27.169 -7.105 -6.622 48 HE2 HIS 7 HE2 HIS 7 25.394 -5.319 -6.702 49 H HIS 8 H HIS 8 23.821 -9.524 -2.294 50 HA HIS 8 HA HIS 8 22.535 -9.288 -0.435 51 1HB HIS 8 1HB HIS 8 21.470 -7.583 -2.051 52 2HB HIS 8 2HB HIS 8 20.176 -8.763 -2.228 53 HD1 HIS 8 HD1 HIS 8 21.369 -8.964 1.152 54 HD2 HIS 8 HD2 HIS 8 18.804 -6.424 -0.954 55 HE1 HIS 8 HE1 HIS 8 19.973 -7.766 2.898 56 HE2 HIS 8 HE2 HIS 8 18.501 -6.182 1.603 57 H HIS 9 H HIS 9 22.798 -11.609 -0.128 58 HA HIS 9 HA HIS 9 20.452 -13.230 -0.780 59 1HB HIS 9 1HB HIS 9 22.740 -14.113 -1.254 60 2HB HIS 9 2HB HIS 9 23.063 -14.097 0.477 61 HD1 HIS 9 HD1 HIS 9 23.476 -16.746 -0.134 62 HD2 HIS 9 HD2 HIS 9 19.540 -15.340 -0.090 63 HE1 HIS 9 HE1 HIS 9 21.998 -18.797 0.068 64 HE2 HIS 9 HE2 HIS 9 19.634 -17.924 0.007 65 H HIS 10 H HIS 10 19.944 -11.267 1.088 66 HA HIS 10 HA HIS 10 19.837 -12.739 3.636 67 1HB HIS 10 1HB HIS 10 20.512 -10.026 3.015 68 2HB HIS 10 2HB HIS 10 19.062 -10.030 4.012 69 HD1 HIS 10 HD1 HIS 10 20.861 -8.824 5.694 70 HD2 HIS 10 HD2 HIS 10 21.265 -12.933 5.035 71 HE1 HIS 10 HE1 HIS 10 22.289 -9.707 7.596 72 HE2 HIS 10 HE2 HIS 10 22.584 -12.165 7.124 73 H HIS 11 H HIS 11 18.022 -13.030 1.308 74 HA HIS 11 HA HIS 11 15.508 -12.206 2.609 75 1HB HIS 11 1HB HIS 11 14.490 -12.297 0.334 76 2HB HIS 11 2HB HIS 11 15.740 -11.069 0.491 77 HD1 HIS 11 HD1 HIS 11 18.140 -11.727 -0.545 78 HD2 HIS 11 HD2 HIS 11 14.880 -14.076 -1.697 79 HE1 HIS 11 HE1 HIS 11 18.871 -12.973 -2.628 80 HE2 HIS 11 HE2 HIS 11 16.861 -14.315 -3.344 81 H HIS 12 H HIS 12 14.171 -13.771 3.245 82 HA HIS 12 HA HIS 12 14.361 -16.416 1.997 83 1HB HIS 12 1HB HIS 12 15.462 -15.868 4.491 84 2HB HIS 12 2HB HIS 12 13.911 -16.609 4.869 85 HD1 HIS 12 HD1 HIS 12 17.337 -17.394 3.926 86 HD2 HIS 12 HD2 HIS 12 13.603 -19.246 3.609 87 HE1 HIS 12 HE1 HIS 12 17.803 -19.844 3.467 88 HE2 HIS 12 HE2 HIS 12 15.537 -20.915 3.198 89 H GLU 13 H GLU 13 12.427 -14.204 1.850 90 HA GLU 13 HA GLU 13 10.087 -15.324 3.205 91 1HB GLU 13 1HB GLU 13 10.812 -12.679 2.096 92 2HB GLU 13 2HB GLU 13 9.129 -13.150 1.899 93 1HG GLU 13 1HG GLU 13 8.809 -13.335 4.233 94 2HG GLU 13 2HG GLU 13 10.541 -13.235 4.548 95 H ASN 14 H ASN 14 7.998 -15.007 1.729 96 HA ASN 14 HA ASN 14 8.225 -16.940 -0.326 97 1HB ASN 14 1HB ASN 14 6.089 -15.433 0.969 98 2HB ASN 14 2HB ASN 14 5.787 -15.680 -0.748 99 1HD2 ASN 14 1HD2 ASN 14 6.879 -18.122 -1.195 100 2HD2 ASN 14 2HD2 ASN 14 6.035 -19.324 -0.288 101 H LEU 15 H LEU 15 6.521 -13.940 -1.040 102 HA LEU 15 HA LEU 15 8.348 -12.705 -2.723 103 1HB LEU 15 1HB LEU 15 7.940 -14.973 -3.945 104 2HB LEU 15 2HB LEU 15 6.409 -14.259 -4.409 105 HG LEU 15 HG LEU 15 8.652 -12.481 -4.957 106 1HD1 LEU 15 1HD1 LEU 15 8.943 -14.268 -7.063 107 2HD1 LEU 15 2HD1 LEU 15 8.985 -15.275 -5.616 108 3HD1 LEU 15 3HD1 LEU 15 10.114 -13.932 -5.788 109 1HD2 LEU 15 1HD2 LEU 15 6.719 -13.693 -6.911 110 2HD2 LEU 15 2HD2 LEU 15 7.529 -12.129 -6.987 111 3HD2 LEU 15 3HD2 LEU 15 6.248 -12.402 -5.810 112 H TYR 16 H TYR 16 6.604 -11.691 -0.966 113 HA TYR 16 HA TYR 16 4.264 -10.756 -2.442 114 1HB TYR 16 1HB TYR 16 4.099 -11.524 -0.037 115 2HB TYR 16 2HB TYR 16 5.014 -10.087 0.409 116 HD1 TYR 16 HD1 TYR 16 1.773 -11.415 -0.384 117 HD2 TYR 16 HD2 TYR 16 4.023 -7.812 -0.135 118 HE1 TYR 16 HE1 TYR 16 -0.317 -10.121 -0.299 119 HE2 TYR 16 HE2 TYR 16 1.941 -6.510 -0.051 120 HH TYR 16 HH TYR 16 -0.386 -6.789 0.504 121 H PHE 17 H PHE 17 5.432 -9.503 -3.964 122 HA PHE 17 HA PHE 17 5.811 -6.786 -3.118 123 1HB PHE 17 1HB PHE 17 8.043 -8.140 -2.759 124 2HB PHE 17 2HB PHE 17 8.196 -7.952 -4.502 125 HD1 PHE 17 HD1 PHE 17 8.909 -5.928 -5.446 126 HD2 PHE 17 HD2 PHE 17 7.844 -6.090 -1.330 127 HE1 PHE 17 HE1 PHE 17 9.818 -3.664 -5.127 128 HE2 PHE 17 HE2 PHE 17 8.752 -3.826 -1.001 129 HZ PHE 17 HZ PHE 17 9.739 -2.611 -2.901 130 H GLN 18 H GLN 18 3.999 -8.007 -4.855 131 HA GLN 18 HA GLN 18 4.840 -7.767 -7.574 132 1HB GLN 18 1HB GLN 18 1.981 -7.670 -6.633 133 2HB GLN 18 2HB GLN 18 2.604 -8.262 -8.165 134 1HG GLN 18 1HG GLN 18 2.932 -10.308 -7.364 135 2HG GLN 18 2HG GLN 18 3.685 -9.707 -5.888 136 1HE2 GLN 18 1HE2 GLN 18 1.734 -8.279 -4.716 137 2HE2 GLN 18 2HE2 GLN 18 0.389 -9.288 -4.322 138 H GLY 19 H GLY 19 2.303 -5.921 -5.871 139 1HA GLY 19 1HA GLY 19 2.258 -3.799 -7.701 140 2HA GLY 19 2HA GLY 19 1.658 -3.727 -6.051 141 H SER 20 H SER 20 2.837 -2.689 -4.503 142 HA SER 20 HA SER 20 5.605 -2.032 -4.900 143 1HB SER 20 1HB SER 20 3.578 -0.181 -5.784 144 2HB SER 20 2HB SER 20 4.510 0.528 -4.467 145 HG SER 20 HG SER 20 6.384 -0.351 -5.802 146 H LYS 21 H LYS 21 2.719 -0.898 -3.137 147 HA LYS 21 HA LYS 21 4.032 -1.596 -0.625 148 1HB LYS 21 1HB LYS 21 3.867 1.073 -1.564 149 2HB LYS 21 2HB LYS 21 2.706 0.924 -0.253 150 1HG LYS 21 1HG LYS 21 4.779 -0.275 0.906 151 2HG LYS 21 2HG LYS 21 5.655 0.782 -0.203 152 1HD LYS 21 1HD LYS 21 3.436 1.880 1.475 153 2HD LYS 21 2HD LYS 21 5.036 1.635 2.179 154 1HE LYS 21 1HE LYS 21 5.109 2.966 -0.415 155 2HE LYS 21 2HE LYS 21 4.200 3.864 0.799 156 1HZ LYS 21 1HZ LYS 21 6.645 4.349 0.674 157 2HZ LYS 21 2HZ LYS 21 6.920 2.802 1.300 158 3HZ LYS 21 3HZ LYS 21 6.066 3.943 2.210 159 H ARG 22 H ARG 22 1.176 0.398 -1.309 160 HA ARG 22 HA ARG 22 -0.505 -1.750 -0.199 161 1HB ARG 22 1HB ARG 22 -0.944 1.205 0.237 162 2HB ARG 22 2HB ARG 22 -1.818 -0.122 0.983 163 1HG ARG 22 1HG ARG 22 0.748 -0.658 1.732 164 2HG ARG 22 2HG ARG 22 0.727 1.106 1.719 165 1HD ARG 22 1HD ARG 22 -1.673 0.128 2.940 166 2HD ARG 22 2HD ARG 22 -0.273 -0.626 3.703 167 HE ARG 22 HE ARG 22 0.043 2.197 3.399 168 1HH1 ARG 22 1HH1 ARG 22 -1.410 -0.273 5.392 169 2HH1 ARG 22 2HH1 ARG 22 -1.446 0.718 6.812 170 1HH2 ARG 22 1HH2 ARG 22 -0.008 3.504 5.261 171 2HH2 ARG 22 2HH2 ARG 22 -0.651 2.865 6.738 172 H LYS 23 H LYS 23 -2.717 -1.737 -0.913 173 HA LYS 23 HA LYS 23 -3.219 -0.183 -3.355 174 1HB LYS 23 1HB LYS 23 -3.403 -3.164 -2.997 175 2HB LYS 23 2HB LYS 23 -4.367 -2.341 -4.216 176 1HG LYS 23 1HG LYS 23 -2.057 -1.323 -4.913 177 2HG LYS 23 2HG LYS 23 -1.418 -2.736 -4.073 178 1HD LYS 23 1HD LYS 23 -3.060 -4.089 -5.505 179 2HD LYS 23 2HD LYS 23 -3.200 -2.631 -6.487 180 1HE LYS 23 1HE LYS 23 -0.592 -2.720 -6.477 181 2HE LYS 23 2HE LYS 23 -0.843 -4.416 -6.067 182 1HZ LYS 23 1HZ LYS 23 -1.292 -4.858 -8.175 183 2HZ LYS 23 2HZ LYS 23 -0.922 -3.259 -8.583 184 3HZ LYS 23 3HZ LYS 23 -2.517 -3.692 -8.224 185 H ILE 24 H ILE 24 -4.997 1.015 -3.006 186 HA ILE 24 HA ILE 24 -7.013 0.041 -1.117 187 HB ILE 24 HB ILE 24 -7.047 2.756 -2.404 188 1HG1 ILE 24 1HG1 ILE 24 -5.772 2.316 0.273 189 2HG1 ILE 24 2HG1 ILE 24 -4.812 2.093 -1.186 190 1HG2 ILE 24 1HG2 ILE 24 -8.603 3.301 -0.854 191 2HG2 ILE 24 2HG2 ILE 24 -7.885 2.279 0.390 192 3HG2 ILE 24 3HG2 ILE 24 -8.885 1.561 -0.872 193 1HD1 ILE 24 1HD1 ILE 24 -6.026 4.511 -1.623 194 2HD1 ILE 24 2HD1 ILE 24 -4.384 4.267 -1.028 195 3HD1 ILE 24 3HD1 ILE 24 -5.703 4.533 0.112 196 H ILE 25 H ILE 25 -9.234 -0.179 -1.670 197 HA ILE 25 HA ILE 25 -9.771 -0.163 -4.567 198 HB ILE 25 HB ILE 25 -11.442 -1.822 -2.744 199 1HG1 ILE 25 1HG1 ILE 25 -9.188 -2.431 -2.046 200 2HG1 ILE 25 2HG1 ILE 25 -9.881 -3.731 -3.017 201 1HG2 ILE 25 1HG2 ILE 25 -10.839 -1.598 -5.595 202 2HG2 ILE 25 2HG2 ILE 25 -12.295 -2.174 -4.783 203 3HG2 ILE 25 3HG2 ILE 25 -10.921 -3.257 -5.001 204 1HD1 ILE 25 1HD1 ILE 25 -8.186 -3.614 -4.419 205 2HD1 ILE 25 2HD1 ILE 25 -7.459 -2.357 -3.416 206 3HD1 ILE 25 3HD1 ILE 25 -8.545 -1.924 -4.730 207 H VAL 26 H VAL 26 -11.730 0.617 -5.280 208 HA VAL 26 HA VAL 26 -13.425 1.925 -3.259 209 HB VAL 26 HB VAL 26 -12.127 3.681 -4.287 210 1HG1 VAL 26 1HG1 VAL 26 -11.519 3.748 -6.431 211 2HG1 VAL 26 2HG1 VAL 26 -13.157 3.426 -6.997 212 3HG1 VAL 26 3HG1 VAL 26 -12.111 2.093 -6.518 213 1HG2 VAL 26 1HG2 VAL 26 -14.520 4.263 -5.813 214 2HG2 VAL 26 2HG2 VAL 26 -13.891 5.041 -4.360 215 3HG2 VAL 26 3HG2 VAL 26 -14.899 3.600 -4.224 216 H ALA 27 H ALA 27 -15.399 1.089 -3.319 217 HA ALA 27 HA ALA 27 -16.414 0.081 -5.892 218 1HB ALA 27 1HB ALA 27 -16.104 -1.751 -4.373 219 2HB ALA 27 2HB ALA 27 -17.833 -1.464 -4.563 220 3HB ALA 27 3HB ALA 27 -17.003 -0.911 -3.109 221 H CYS 28 H CYS 28 -18.082 1.077 -6.743 222 HA CYS 28 HA CYS 28 -19.860 2.494 -6.995 223 1HB CYS 28 1HB CYS 28 -20.401 1.084 -4.427 224 2HB CYS 28 2HB CYS 28 -21.403 2.478 -4.811 225 HG CYS 28 HG CYS 28 -22.437 1.230 -6.740 226 H GLY 29 H GLY 29 -21.190 4.244 -5.322 227 1HA GLY 29 1HA GLY 29 -19.334 5.718 -3.697 228 2HA GLY 29 2HA GLY 29 -19.610 6.466 -5.259 229 H GLY 30 H GLY 30 -21.132 7.952 -5.308 230 1HA GLY 30 1HA GLY 30 -23.444 7.669 -3.501 231 2HA GLY 30 2HA GLY 30 -22.562 9.188 -3.587 232 H ALA 31 H ALA 31 -22.335 10.078 -5.868 233 HA ALA 31 HA ALA 31 -24.987 10.030 -7.085 234 1HB ALA 31 1HB ALA 31 -22.902 12.016 -6.747 235 2HB ALA 31 2HB ALA 31 -24.625 12.227 -7.064 236 3HB ALA 31 3HB ALA 31 -23.509 11.959 -8.402 237 H VAL 32 H VAL 32 -22.809 7.944 -7.482 238 HA VAL 32 HA VAL 32 -22.040 6.619 -9.163 239 HB VAL 32 HB VAL 32 -23.834 8.041 -11.109 240 1HG1 VAL 32 1HG1 VAL 32 -22.409 6.295 -11.994 241 2HG1 VAL 32 2HG1 VAL 32 -24.089 5.762 -12.013 242 3HG1 VAL 32 3HG1 VAL 32 -22.990 5.165 -10.771 243 1HG2 VAL 32 1HG2 VAL 32 -24.632 6.365 -8.774 244 2HG2 VAL 32 2HG2 VAL 32 -25.532 6.216 -10.285 245 3HG2 VAL 32 3HG2 VAL 32 -25.426 7.778 -9.471 246 H ALA 33 H ALA 33 -21.112 9.567 -8.794 247 HA ALA 33 HA ALA 33 -19.291 9.504 -11.066 248 1HB ALA 33 1HB ALA 33 -21.301 10.955 -11.635 249 2HB ALA 33 2HB ALA 33 -19.708 11.690 -11.817 250 3HB ALA 33 3HB ALA 33 -20.702 12.074 -10.411 251 H THR 34 H THR 34 -19.456 9.386 -7.942 252 HA THR 34 HA THR 34 -17.776 11.565 -7.111 253 HB THR 34 HB THR 34 -19.375 10.532 -5.566 254 HG1 THR 34 HG1 THR 34 -17.985 10.403 -3.834 255 1HG2 THR 34 1HG2 THR 34 -19.393 8.251 -6.221 256 2HG2 THR 34 2HG2 THR 34 -18.808 8.328 -4.559 257 3HG2 THR 34 3HG2 THR 34 -17.671 8.081 -5.884 258 H SER 35 H SER 35 -17.265 8.508 -8.558 259 HA SER 35 HA SER 35 -14.867 7.625 -7.535 260 1HB SER 35 1HB SER 35 -15.759 7.616 -10.429 261 2HB SER 35 2HB SER 35 -14.461 6.624 -9.765 262 HG SER 35 HG SER 35 -17.185 6.556 -8.963 263 H THR 36 H THR 36 -15.331 9.944 -10.194 264 HA THR 36 HA THR 36 -12.614 10.491 -10.631 265 HB THR 36 HB THR 36 -13.730 12.794 -11.415 266 HG1 THR 36 HG1 THR 36 -15.953 11.548 -12.105 267 1HG2 THR 36 1HG2 THR 36 -13.746 10.119 -12.717 268 2HG2 THR 36 2HG2 THR 36 -12.850 11.578 -13.141 269 3HG2 THR 36 3HG2 THR 36 -14.573 11.467 -13.497 270 H MET 37 H MET 37 -15.039 12.300 -8.744 271 HA MET 37 HA MET 37 -13.385 14.312 -7.785 272 1HB MET 37 1HB MET 37 -15.995 13.232 -7.135 273 2HB MET 37 2HB MET 37 -15.144 13.740 -5.683 274 1HG MET 37 1HG MET 37 -15.300 15.916 -6.192 275 2HG MET 37 2HG MET 37 -15.027 15.642 -7.911 276 1HE MET 37 1HE MET 37 -16.267 16.518 -9.236 277 2HE MET 37 2HE MET 37 -17.776 17.339 -8.839 278 3HE MET 37 3HE MET 37 -17.810 15.786 -9.673 279 H ALA 38 H ALA 38 -14.219 11.237 -6.186 280 HA ALA 38 HA ALA 38 -12.497 11.559 -3.993 281 1HB ALA 38 1HB ALA 38 -14.108 9.417 -5.136 282 2HB ALA 38 2HB ALA 38 -13.784 9.813 -3.450 283 3HB ALA 38 3HB ALA 38 -12.636 8.833 -4.360 284 H ALA 39 H ALA 39 -12.060 9.670 -6.977 285 HA ALA 39 HA ALA 39 -9.539 8.693 -6.653 286 1HB ALA 39 1HB ALA 39 -10.740 8.102 -8.601 287 2HB ALA 39 2HB ALA 39 -9.299 8.954 -9.156 288 3HB ALA 39 3HB ALA 39 -10.857 9.781 -9.128 289 H GLU 40 H GLU 40 -10.280 11.878 -8.100 290 HA GLU 40 HA GLU 40 -7.626 12.722 -8.375 291 1HB GLU 40 1HB GLU 40 -9.959 13.755 -9.167 292 2HB GLU 40 2HB GLU 40 -9.698 14.760 -7.748 293 1HG GLU 40 1HG GLU 40 -8.309 16.041 -8.887 294 2HG GLU 40 2HG GLU 40 -7.269 14.656 -9.213 295 H GLU 41 H GLU 41 -9.845 12.933 -5.650 296 HA GLU 41 HA GLU 41 -8.227 14.662 -4.083 297 1HB GLU 41 1HB GLU 41 -10.377 12.715 -3.223 298 2HB GLU 41 2HB GLU 41 -9.686 13.979 -2.213 299 1HG GLU 41 1HG GLU 41 -10.791 14.855 -4.799 300 2HG GLU 41 2HG GLU 41 -11.955 14.256 -3.619 301 H ILE 42 H ILE 42 -8.675 11.122 -4.065 302 HA ILE 42 HA ILE 42 -6.830 10.647 -1.976 303 HB ILE 42 HB ILE 42 -7.526 8.681 -4.156 304 1HG1 ILE 42 1HG1 ILE 42 -9.043 9.197 -1.589 305 2HG1 ILE 42 2HG1 ILE 42 -9.579 9.712 -3.181 306 1HG2 ILE 42 1HG2 ILE 42 -7.351 7.203 -1.980 307 2HG2 ILE 42 2HG2 ILE 42 -6.323 8.531 -1.444 308 3HG2 ILE 42 3HG2 ILE 42 -5.920 7.640 -2.913 309 1HD1 ILE 42 1HD1 ILE 42 -10.341 7.681 -3.707 310 2HD1 ILE 42 2HD1 ILE 42 -10.282 7.390 -1.969 311 3HD1 ILE 42 3HD1 ILE 42 -8.948 6.866 -2.997 312 H LYS 43 H LYS 43 -6.507 10.713 -5.500 313 HA LYS 43 HA LYS 43 -3.865 9.756 -5.638 314 1HB LYS 43 1HB LYS 43 -5.454 9.974 -7.566 315 2HB LYS 43 2HB LYS 43 -5.181 11.710 -7.531 316 1HG LYS 43 1HG LYS 43 -2.638 10.523 -7.610 317 2HG LYS 43 2HG LYS 43 -3.632 9.650 -8.778 318 1HD LYS 43 1HD LYS 43 -2.621 11.479 -9.928 319 2HD LYS 43 2HD LYS 43 -4.328 11.872 -9.710 320 1HE LYS 43 1HE LYS 43 -2.624 12.776 -7.514 321 2HE LYS 43 2HE LYS 43 -2.218 13.502 -9.068 322 1HZ LYS 43 1HZ LYS 43 -4.699 13.967 -9.248 323 2HZ LYS 43 2HZ LYS 43 -3.816 14.907 -8.155 324 3HZ LYS 43 3HZ LYS 43 -4.776 13.633 -7.593 325 H GLU 44 H GLU 44 -5.076 13.119 -5.711 326 HA GLU 44 HA GLU 44 -2.598 14.380 -5.777 327 1HB GLU 44 1HB GLU 44 -3.719 16.377 -4.998 328 2HB GLU 44 2HB GLU 44 -4.744 15.539 -6.152 329 1HG GLU 44 1HG GLU 44 -6.139 14.702 -4.388 330 2HG GLU 44 2HG GLU 44 -5.048 15.347 -3.165 331 H LEU 45 H LEU 45 -4.395 13.084 -3.053 332 HA LEU 45 HA LEU 45 -2.779 14.242 -1.029 333 1HB LEU 45 1HB LEU 45 -5.136 13.046 -0.950 334 2HB LEU 45 2HB LEU 45 -4.162 11.628 -0.626 335 HG LEU 45 HG LEU 45 -5.056 12.741 1.411 336 1HD1 LEU 45 1HD1 LEU 45 -2.347 13.118 2.102 337 2HD1 LEU 45 2HD1 LEU 45 -2.408 11.820 0.913 338 3HD1 LEU 45 3HD1 LEU 45 -3.365 11.707 2.387 339 1HD2 LEU 45 1HD2 LEU 45 -5.002 15.035 0.860 340 2HD2 LEU 45 2HD2 LEU 45 -3.282 14.983 0.475 341 3HD2 LEU 45 3HD2 LEU 45 -3.815 14.813 2.145 342 H CYS 46 H CYS 46 -2.822 11.017 -2.521 343 HA CYS 46 HA CYS 46 -0.777 9.810 -1.126 344 1HB CYS 46 1HB CYS 46 -1.445 9.544 -4.064 345 2HB CYS 46 2HB CYS 46 -0.417 8.431 -3.167 346 HG CYS 46 HG CYS 46 -2.992 8.457 -1.752 347 H GLN 47 H GLN 47 -0.569 12.150 -3.738 348 HA GLN 47 HA GLN 47 2.288 11.883 -4.013 349 1HB GLN 47 1HB GLN 47 0.238 13.743 -5.190 350 2HB GLN 47 2HB GLN 47 1.959 14.009 -5.430 351 1HG GLN 47 1HG GLN 47 1.529 11.320 -6.051 352 2HG GLN 47 2HG GLN 47 0.181 12.198 -6.772 353 1HE2 GLN 47 1HE2 GLN 47 2.862 10.895 -7.671 354 2HE2 GLN 47 2HE2 GLN 47 3.484 12.053 -8.793 355 H SER 48 H SER 48 0.049 14.006 -2.342 356 HA SER 48 HA SER 48 1.718 16.131 -1.716 357 1HB SER 48 1HB SER 48 -0.359 14.948 0.139 358 2HB SER 48 2HB SER 48 0.223 16.613 0.116 359 HG SER 48 HG SER 48 -0.654 16.730 -2.049 360 H HIS 49 H HIS 49 1.286 13.062 0.004 361 HA HIS 49 HA HIS 49 3.489 13.760 1.799 362 1HB HIS 49 1HB HIS 49 1.085 12.291 2.114 363 2HB HIS 49 2HB HIS 49 2.414 11.159 2.333 364 HD1 HIS 49 HD1 HIS 49 1.488 14.649 3.583 365 HD2 HIS 49 HD2 HIS 49 3.299 11.112 4.881 366 HE1 HIS 49 HE1 HIS 49 2.044 15.000 6.032 367 HE2 HIS 49 HE2 HIS 49 3.192 12.880 6.767 368 H ASN 50 H ASN 50 3.227 12.413 -1.166 369 HA ASN 50 HA ASN 50 4.522 11.063 -2.452 370 1HB ASN 50 1HB ASN 50 6.554 11.532 -0.259 371 2HB ASN 50 2HB ASN 50 6.906 10.921 -1.872 372 1HD2 ASN 50 1HD2 ASN 50 6.821 12.313 -3.626 373 2HD2 ASN 50 2HD2 ASN 50 6.811 14.031 -3.439 374 H ILE 51 H ILE 51 2.759 9.575 -1.200 375 HA ILE 51 HA ILE 51 4.254 7.323 -0.025 376 HB ILE 51 HB ILE 51 1.277 7.586 0.186 377 1HG1 ILE 51 1HG1 ILE 51 3.324 8.890 1.995 378 2HG1 ILE 51 2HG1 ILE 51 2.120 9.713 1.009 379 1HG2 ILE 51 1HG2 ILE 51 1.632 5.614 1.164 380 2HG2 ILE 51 2HG2 ILE 51 2.302 6.527 2.515 381 3HG2 ILE 51 3HG2 ILE 51 3.371 5.884 1.270 382 1HD1 ILE 51 1HD1 ILE 51 1.270 9.760 3.183 383 2HD1 ILE 51 2HD1 ILE 51 1.706 8.078 3.484 384 3HD1 ILE 51 3HD1 ILE 51 0.383 8.462 2.383 385 HA PRO 52 HA PRO 52 3.375 5.639 -4.183 386 1HB PRO 52 1HB PRO 52 4.794 3.377 -2.856 387 2HB PRO 52 2HB PRO 52 5.041 4.075 -4.461 388 1HG PRO 52 1HG PRO 52 6.743 4.596 -2.486 389 2HG PRO 52 2HG PRO 52 6.279 5.858 -3.641 390 1HD PRO 52 1HD PRO 52 5.399 5.454 -0.817 391 2HD PRO 52 2HD PRO 52 5.690 6.964 -1.705 392 H VAL 53 H VAL 53 1.407 4.885 -4.545 393 HA VAL 53 HA VAL 53 0.494 2.450 -3.298 394 HB VAL 53 HB VAL 53 -0.193 4.075 -1.615 395 1HG1 VAL 53 1HG1 VAL 53 -2.227 5.518 -2.955 396 2HG1 VAL 53 2HG1 VAL 53 -0.736 5.705 -3.878 397 3HG1 VAL 53 3HG1 VAL 53 -0.775 6.136 -2.169 398 1HG2 VAL 53 1HG2 VAL 53 -2.588 3.174 -3.210 399 2HG2 VAL 53 2HG2 VAL 53 -2.535 3.535 -1.485 400 3HG2 VAL 53 3HG2 VAL 53 -1.659 2.147 -2.121 401 H GLU 54 H GLU 54 -1.530 1.664 -4.274 402 HA GLU 54 HA GLU 54 -2.026 2.869 -6.920 403 1HB GLU 54 1HB GLU 54 -2.389 -0.070 -6.490 404 2HB GLU 54 2HB GLU 54 -2.063 0.805 -7.977 405 1HG GLU 54 1HG GLU 54 0.180 1.234 -6.378 406 2HG GLU 54 2HG GLU 54 -0.238 -0.462 -6.148 407 H LEU 55 H LEU 55 -4.027 3.624 -7.085 408 HA LEU 55 HA LEU 55 -6.101 2.616 -5.308 409 1HB LEU 55 1HB LEU 55 -5.893 5.004 -5.440 410 2HB LEU 55 2HB LEU 55 -5.979 4.967 -7.190 411 HG LEU 55 HG LEU 55 -8.359 3.816 -6.539 412 1HD1 LEU 55 1HD1 LEU 55 -8.879 5.921 -4.766 413 2HD1 LEU 55 2HD1 LEU 55 -7.430 5.120 -4.156 414 3HD1 LEU 55 3HD1 LEU 55 -8.905 4.191 -4.426 415 1HD2 LEU 55 1HD2 LEU 55 -9.311 5.712 -7.437 416 2HD2 LEU 55 2HD2 LEU 55 -7.656 5.833 -8.032 417 3HD2 LEU 55 3HD2 LEU 55 -8.167 6.794 -6.644 418 H ILE 56 H ILE 56 -7.256 0.952 -5.957 419 HA ILE 56 HA ILE 56 -7.812 0.589 -8.823 420 HB ILE 56 HB ILE 56 -8.692 -1.712 -7.588 421 1HG1 ILE 56 1HG1 ILE 56 -7.484 -0.876 -5.528 422 2HG1 ILE 56 2HG1 ILE 56 -7.062 -2.487 -6.071 423 1HG2 ILE 56 1HG2 ILE 56 -7.200 -2.774 -8.935 424 2HG2 ILE 56 2HG2 ILE 56 -5.914 -1.611 -8.625 425 3HG2 ILE 56 3HG2 ILE 56 -7.247 -1.185 -9.696 426 1HD1 ILE 56 1HD1 ILE 56 -4.956 -1.867 -6.682 427 2HD1 ILE 56 2HD1 ILE 56 -5.235 -0.763 -5.337 428 3HD1 ILE 56 3HD1 ILE 56 -5.415 -0.196 -6.997 429 H GLN 57 H GLN 57 -9.965 0.014 -9.505 430 HA GLN 57 HA GLN 57 -12.039 0.738 -7.552 431 1HB GLN 57 1HB GLN 57 -12.348 1.251 -10.494 432 2HB GLN 57 2HB GLN 57 -13.205 1.992 -9.150 433 1HG GLN 57 1HG GLN 57 -11.482 3.451 -8.678 434 2HG GLN 57 2HG GLN 57 -10.269 2.436 -9.455 435 1HE2 GLN 57 1HE2 GLN 57 -9.722 4.603 -10.361 436 2HE2 GLN 57 2HE2 GLN 57 -10.503 5.069 -11.831 437 H CYS 58 H CYS 58 -13.694 -0.666 -7.334 438 HA CYS 58 HA CYS 58 -14.321 -2.569 -9.433 439 1HB CYS 58 1HB CYS 58 -12.715 -3.269 -7.128 440 2HB CYS 58 2HB CYS 58 -14.221 -4.179 -7.129 441 HG CYS 58 HG CYS 58 -12.098 -4.331 -9.398 442 H ARG 59 H ARG 59 -16.298 -3.927 -8.739 443 HA ARG 59 HA ARG 59 -18.268 -2.140 -7.688 444 1HB ARG 59 1HB ARG 59 -18.329 -4.962 -8.741 445 2HB ARG 59 2HB ARG 59 -19.753 -4.222 -8.031 446 1HG ARG 59 1HG ARG 59 -20.017 -3.867 -10.306 447 2HG ARG 59 2HG ARG 59 -19.380 -2.331 -9.716 448 1HD ARG 59 1HD ARG 59 -17.124 -3.026 -10.415 449 2HD ARG 59 2HD ARG 59 -17.798 -4.527 -11.048 450 HE ARG 59 HE ARG 59 -17.900 -1.927 -12.269 451 1HH1 ARG 59 1HH1 ARG 59 -19.417 -5.066 -12.092 452 2HH1 ARG 59 2HH1 ARG 59 -20.149 -4.938 -13.656 453 1HH2 ARG 59 1HH2 ARG 59 -18.866 -1.757 -14.324 454 2HH2 ARG 59 2HH2 ARG 59 -19.836 -3.061 -14.923 455 H VAL 60 H VAL 60 -19.985 -3.953 -6.362 456 HA VAL 60 HA VAL 60 -18.731 -3.982 -3.745 457 HB VAL 60 HB VAL 60 -21.066 -4.871 -3.049 458 1HG1 VAL 60 1HG1 VAL 60 -21.861 -2.315 -3.701 459 2HG1 VAL 60 2HG1 VAL 60 -20.101 -2.205 -3.689 460 3HG1 VAL 60 3HG1 VAL 60 -20.958 -2.789 -2.263 461 1HG2 VAL 60 1HG2 VAL 60 -22.816 -4.784 -4.504 462 2HG2 VAL 60 2HG2 VAL 60 -21.531 -5.199 -5.638 463 3HG2 VAL 60 3HG2 VAL 60 -22.075 -3.528 -5.496 464 H ASN 61 H ASN 61 -19.105 -6.173 -6.272 465 HA ASN 61 HA ASN 61 -18.401 -8.379 -4.482 466 1HB ASN 61 1HB ASN 61 -20.900 -8.161 -5.781 467 2HB ASN 61 2HB ASN 61 -19.998 -9.395 -6.655 468 1HD2 ASN 61 1HD2 ASN 61 -21.069 -11.168 -5.966 469 2HD2 ASN 61 2HD2 ASN 61 -21.124 -11.691 -4.320 470 H GLU 62 H GLU 62 -16.305 -7.616 -5.378 471 HA GLU 62 HA GLU 62 -15.477 -9.335 -7.506 472 1HB GLU 62 1HB GLU 62 -16.403 -6.852 -8.310 473 2HB GLU 62 2HB GLU 62 -14.663 -6.627 -8.225 474 1HG GLU 62 1HG GLU 62 -14.852 -7.343 -10.369 475 2HG GLU 62 2HG GLU 62 -14.645 -8.896 -9.561 476 H ILE 63 H ILE 63 -14.761 -6.702 -5.294 477 HA ILE 63 HA ILE 63 -11.999 -6.662 -5.405 478 HB ILE 63 HB ILE 63 -13.681 -6.333 -2.918 479 1HG1 ILE 63 1HG1 ILE 63 -12.765 -4.243 -4.908 480 2HG1 ILE 63 2HG1 ILE 63 -14.399 -4.889 -4.816 481 1HG2 ILE 63 1HG2 ILE 63 -11.641 -4.646 -2.572 482 2HG2 ILE 63 2HG2 ILE 63 -10.825 -5.867 -3.548 483 3HG2 ILE 63 3HG2 ILE 63 -11.594 -6.322 -2.029 484 1HD1 ILE 63 1HD1 ILE 63 -14.521 -2.874 -3.678 485 2HD1 ILE 63 2HD1 ILE 63 -12.969 -3.118 -2.880 486 3HD1 ILE 63 3HD1 ILE 63 -14.370 -4.068 -2.389 487 H GLU 64 H GLU 64 -14.119 -9.038 -4.029 488 HA GLU 64 HA GLU 64 -12.167 -10.304 -2.370 489 1HB GLU 64 1HB GLU 64 -14.882 -10.420 -2.528 490 2HB GLU 64 2HB GLU 64 -14.438 -11.927 -3.318 491 1HG GLU 64 1HG GLU 64 -13.034 -12.459 -1.317 492 2HG GLU 64 2HG GLU 64 -13.735 -11.044 -0.533 493 H THR 65 H THR 65 -13.326 -10.781 -5.666 494 HA THR 65 HA THR 65 -11.883 -13.239 -6.019 495 HB THR 65 HB THR 65 -12.837 -11.571 -8.315 496 HG1 THR 65 HG1 THR 65 -14.616 -11.403 -7.101 497 1HG2 THR 65 1HG2 THR 65 -11.878 -14.108 -8.189 498 2HG2 THR 65 2HG2 THR 65 -12.929 -13.481 -9.460 499 3HG2 THR 65 3HG2 THR 65 -13.618 -14.377 -8.105 500 H TYR 66 H TYR 66 -11.410 -9.862 -7.000 501 HA TYR 66 HA TYR 66 -8.820 -10.551 -8.140 502 1HB TYR 66 1HB TYR 66 -8.987 -8.724 -9.433 503 2HB TYR 66 2HB TYR 66 -10.685 -8.772 -8.983 504 HD1 TYR 66 HD1 TYR 66 -11.558 -7.210 -7.292 505 HD2 TYR 66 HD2 TYR 66 -7.534 -6.979 -8.643 506 HE1 TYR 66 HE1 TYR 66 -11.384 -4.946 -6.356 507 HE2 TYR 66 HE2 TYR 66 -7.342 -4.712 -7.710 508 HH TYR 66 HH TYR 66 -9.819 -2.827 -6.937 509 H MET 67 H MET 67 -9.595 -10.406 -5.156 510 HA MET 67 HA MET 67 -7.995 -8.326 -4.024 511 1HB MET 67 1HB MET 67 -9.879 -10.104 -3.049 512 2HB MET 67 2HB MET 67 -8.386 -10.689 -2.335 513 1HG MET 67 1HG MET 67 -9.107 -7.791 -2.184 514 2HG MET 67 2HG MET 67 -9.803 -8.955 -1.058 515 1HE MET 67 1HE MET 67 -7.578 -8.103 1.629 516 2HE MET 67 2HE MET 67 -9.141 -7.905 0.838 517 3HE MET 67 3HE MET 67 -7.878 -6.696 0.612 518 H ASP 68 H ASP 68 -6.333 -9.357 -5.865 519 HA ASP 68 HA ASP 68 -4.704 -11.500 -5.106 520 1HB ASP 68 1HB ASP 68 -4.505 -9.245 -7.019 521 2HB ASP 68 2HB ASP 68 -2.986 -10.007 -6.553 522 H GLY 69 H GLY 69 -4.400 -8.030 -4.447 523 1HA GLY 69 1HA GLY 69 -2.912 -8.556 -2.050 524 2HA GLY 69 2HA GLY 69 -1.907 -7.882 -3.324 525 H VAL 70 H VAL 70 -4.912 -7.318 -1.526 526 HA VAL 70 HA VAL 70 -4.630 -4.442 -2.014 527 HB VAL 70 HB VAL 70 -6.996 -6.019 -0.982 528 1HG1 VAL 70 1HG1 VAL 70 -8.286 -4.013 -1.235 529 2HG1 VAL 70 2HG1 VAL 70 -6.899 -3.152 -1.894 530 3HG1 VAL 70 3HG1 VAL 70 -6.898 -3.665 -0.210 531 1HG2 VAL 70 1HG2 VAL 70 -7.775 -6.227 -3.088 532 2HG2 VAL 70 2HG2 VAL 70 -6.068 -6.101 -3.506 533 3HG2 VAL 70 3HG2 VAL 70 -7.105 -4.685 -3.605 534 H HIS 71 H HIS 71 -4.015 -3.140 -0.390 535 HA HIS 71 HA HIS 71 -3.706 -4.297 2.274 536 1HB HIS 71 1HB HIS 71 -1.987 -2.795 0.837 537 2HB HIS 71 2HB HIS 71 -2.802 -1.528 1.746 538 HD1 HIS 71 HD1 HIS 71 0.000 -3.736 1.940 539 HD2 HIS 71 HD2 HIS 71 -2.752 -2.197 4.687 540 HE1 HIS 71 HE1 HIS 71 1.066 -3.993 4.228 541 HE2 HIS 71 HE2 HIS 71 -0.636 -3.111 5.863 542 H LEU 72 H LEU 72 -5.825 -2.215 0.579 543 HA LEU 72 HA LEU 72 -7.331 -1.716 2.986 544 1HB LEU 72 1HB LEU 72 -5.809 0.435 1.598 545 2HB LEU 72 2HB LEU 72 -7.416 0.821 2.184 546 HG LEU 72 HG LEU 72 -5.174 -0.254 3.899 547 1HD1 LEU 72 1HD1 LEU 72 -4.609 1.856 4.506 548 2HD1 LEU 72 2HD1 LEU 72 -6.231 2.490 4.232 549 3HD1 LEU 72 3HD1 LEU 72 -5.157 2.197 2.865 550 1HD2 LEU 72 1HD2 LEU 72 -7.989 -0.097 4.308 551 2HD2 LEU 72 2HD2 LEU 72 -7.195 1.052 5.384 552 3HD2 LEU 72 3HD2 LEU 72 -6.736 -0.650 5.420 553 H ILE 73 H ILE 73 -9.492 -1.175 2.583 554 HA ILE 73 HA ILE 73 -10.316 -1.078 -0.240 555 HB ILE 73 HB ILE 73 -12.346 -2.422 1.177 556 1HG1 ILE 73 1HG1 ILE 73 -10.313 -2.838 2.755 557 2HG1 ILE 73 2HG1 ILE 73 -11.390 -4.152 2.372 558 1HG2 ILE 73 1HG2 ILE 73 -11.251 -2.581 -1.242 559 2HG2 ILE 73 2HG2 ILE 73 -12.279 -3.842 -0.573 560 3HG2 ILE 73 3HG2 ILE 73 -10.527 -4.011 -0.523 561 1HD1 ILE 73 1HD1 ILE 73 -9.177 -4.979 2.270 562 2HD1 ILE 73 2HD1 ILE 73 -8.652 -3.632 1.267 563 3HD1 ILE 73 3HD1 ILE 73 -9.749 -4.843 0.609 564 H CYS 74 H CYS 74 -12.117 0.175 -0.686 565 HA CYS 74 HA CYS 74 -13.379 1.543 1.595 566 1HB CYS 74 1HB CYS 74 -11.661 2.788 -0.151 567 2HB CYS 74 2HB CYS 74 -13.231 3.133 -0.868 568 HG CYS 74 HG CYS 74 -12.215 4.794 1.173 569 H THR 75 H THR 75 -15.427 0.820 1.647 570 HA THR 75 HA THR 75 -17.000 0.988 -0.817 571 HB THR 75 HB THR 75 -17.244 -1.404 1.002 572 HG1 THR 75 HG1 THR 75 -15.624 -2.286 0.037 573 1HG2 THR 75 1HG2 THR 75 -19.076 -1.704 -0.225 574 2HG2 THR 75 2HG2 THR 75 -17.966 -2.175 -1.511 575 3HG2 THR 75 3HG2 THR 75 -18.576 -0.523 -1.435 576 H THR 76 H THR 76 -19.271 1.194 -0.479 577 HA THR 76 HA THR 76 -19.902 2.442 2.083 578 HB THR 76 HB THR 76 -22.062 3.051 0.841 579 HG1 THR 76 HG1 THR 76 -20.534 2.358 -1.433 580 1HG2 THR 76 1HG2 THR 76 -21.156 5.010 0.347 581 2HG2 THR 76 2HG2 THR 76 -20.046 4.295 -0.823 582 3HG2 THR 76 3HG2 THR 76 -19.626 4.321 0.890 583 H ALA 77 H ALA 77 -19.849 0.267 3.101 584 HA ALA 77 HA ALA 77 -22.456 -0.649 3.618 585 1HB ALA 77 1HB ALA 77 -22.545 -2.760 2.576 586 2HB ALA 77 2HB ALA 77 -20.849 -2.683 2.094 587 3HB ALA 77 3HB ALA 77 -22.037 -1.636 1.316 588 H ARG 78 H ARG 78 -22.333 -2.849 4.845 589 HA ARG 78 HA ARG 78 -19.879 -2.840 6.474 590 1HB ARG 78 1HB ARG 78 -22.415 -2.159 7.321 591 2HB ARG 78 2HB ARG 78 -22.288 -3.844 7.805 592 1HG ARG 78 1HG ARG 78 -21.506 -2.729 9.663 593 2HG ARG 78 2HG ARG 78 -20.013 -3.127 8.814 594 1HD ARG 78 1HD ARG 78 -20.302 -0.800 7.718 595 2HD ARG 78 2HD ARG 78 -21.410 -0.487 9.051 596 HE ARG 78 HE ARG 78 -19.611 -0.585 10.550 597 1HH1 ARG 78 1HH1 ARG 78 -18.567 -1.138 7.259 598 2HH1 ARG 78 2HH1 ARG 78 -16.902 -0.825 7.608 599 1HH2 ARG 78 1HH2 ARG 78 -17.420 -0.180 11.001 600 2HH2 ARG 78 2HH2 ARG 78 -16.250 -0.285 9.728 601 H VAL 79 H VAL 79 -19.780 -4.418 4.369 602 HA VAL 79 HA VAL 79 -20.880 -7.032 4.816 603 HB VAL 79 HB VAL 79 -19.481 -7.757 2.923 604 1HG1 VAL 79 1HG1 VAL 79 -20.593 -6.491 1.212 605 2HG1 VAL 79 2HG1 VAL 79 -20.892 -5.161 2.330 606 3HG1 VAL 79 3HG1 VAL 79 -21.699 -6.711 2.567 607 1HG2 VAL 79 1HG2 VAL 79 -18.204 -6.013 1.669 608 2HG2 VAL 79 2HG2 VAL 79 -17.508 -6.450 3.231 609 3HG2 VAL 79 3HG2 VAL 79 -18.410 -4.944 3.057 610 H ASP 80 H ASP 80 -19.110 -5.925 6.953 611 HA ASP 80 HA ASP 80 -16.789 -7.675 6.837 612 1HB ASP 80 1HB ASP 80 -16.359 -6.626 9.153 613 2HB ASP 80 2HB ASP 80 -16.203 -5.596 7.734 614 H ARG 81 H ARG 81 -19.919 -8.153 7.567 615 HA ARG 81 HA ARG 81 -19.895 -9.440 10.062 616 1HB ARG 81 1HB ARG 81 -21.782 -8.911 8.063 617 2HB ARG 81 2HB ARG 81 -21.752 -10.663 8.197 618 1HG ARG 81 1HG ARG 81 -23.334 -10.192 9.755 619 2HG ARG 81 2HG ARG 81 -21.900 -10.116 10.778 620 1HD ARG 81 1HD ARG 81 -22.289 -7.981 11.250 621 2HD ARG 81 2HD ARG 81 -22.358 -7.567 9.540 622 HE ARG 81 HE ARG 81 -24.741 -8.209 9.626 623 1HH1 ARG 81 1HH1 ARG 81 -23.123 -7.358 12.611 624 2HH1 ARG 81 2HH1 ARG 81 -24.589 -6.919 13.417 625 1HH2 ARG 81 1HH2 ARG 81 -26.661 -7.628 10.698 626 2HH2 ARG 81 2HH2 ARG 81 -26.592 -7.072 12.337 627 H SER 82 H SER 82 -19.041 -10.530 6.844 628 HA SER 82 HA SER 82 -17.655 -12.799 7.932 629 1HB SER 82 1HB SER 82 -20.287 -13.130 6.596 630 2HB SER 82 2HB SER 82 -19.029 -14.297 6.191 631 HG SER 82 HG SER 82 -19.510 -13.674 8.886 632 H PHE 83 H PHE 83 -16.547 -10.737 6.585 633 HA PHE 83 HA PHE 83 -16.042 -11.774 3.869 634 1HB PHE 83 1HB PHE 83 -16.642 -9.173 4.759 635 2HB PHE 83 2HB PHE 83 -14.946 -9.139 4.324 636 HD1 PHE 83 HD1 PHE 83 -18.320 -9.980 3.037 637 HD2 PHE 83 HD2 PHE 83 -14.282 -9.025 2.087 638 HE1 PHE 83 HE1 PHE 83 -18.938 -9.734 0.667 639 HE2 PHE 83 HE2 PHE 83 -14.894 -8.779 -0.283 640 HZ PHE 83 HZ PHE 83 -17.225 -9.130 -0.992 641 H GLY 84 H GLY 84 -14.766 -13.122 5.897 642 1HA GLY 84 1HA GLY 84 -12.684 -13.812 6.571 643 2HA GLY 84 2HA GLY 84 -12.074 -12.974 5.151 644 H ASP 85 H ASP 85 -11.309 -10.861 5.344 645 HA ASP 85 HA ASP 85 -11.371 -9.480 7.859 646 1HB ASP 85 1HB ASP 85 -9.191 -11.277 7.308 647 2HB ASP 85 2HB ASP 85 -8.592 -9.623 7.377 648 H ILE 86 H ILE 86 -11.907 -9.131 4.931 649 HA ILE 86 HA ILE 86 -10.155 -7.497 3.598 650 HB ILE 86 HB ILE 86 -12.297 -8.336 2.684 651 1HG1 ILE 86 1HG1 ILE 86 -12.508 -5.387 2.384 652 2HG1 ILE 86 2HG1 ILE 86 -10.985 -6.145 1.926 653 1HG2 ILE 86 1HG2 ILE 86 -13.660 -6.065 4.065 654 2HG2 ILE 86 2HG2 ILE 86 -13.573 -7.661 4.796 655 3HG2 ILE 86 3HG2 ILE 86 -14.381 -7.437 3.246 656 1HD1 ILE 86 1HD1 ILE 86 -12.390 -7.702 0.495 657 2HD1 ILE 86 2HD1 ILE 86 -12.237 -6.024 -0.032 658 3HD1 ILE 86 3HD1 ILE 86 -13.711 -6.565 0.771 659 HA PRO 87 HA PRO 87 -10.047 -4.164 6.740 660 1HB PRO 87 1HB PRO 87 -7.896 -2.887 5.654 661 2HB PRO 87 2HB PRO 87 -7.751 -4.291 6.718 662 1HG PRO 87 1HG PRO 87 -7.686 -4.175 3.720 663 2HG PRO 87 2HG PRO 87 -6.607 -5.050 4.825 664 1HD PRO 87 1HD PRO 87 -8.599 -6.304 3.549 665 2HD PRO 87 2HD PRO 87 -8.166 -6.724 5.217 666 H LEU 88 H LEU 88 -12.157 -3.641 5.398 667 HA LEU 88 HA LEU 88 -11.670 -1.432 3.546 668 1HB LEU 88 1HB LEU 88 -13.829 -1.697 2.707 669 2HB LEU 88 2HB LEU 88 -13.260 -3.331 2.979 670 HG LEU 88 HG LEU 88 -14.861 -2.032 5.136 671 1HD1 LEU 88 1HD1 LEU 88 -16.542 -1.572 3.742 672 2HD1 LEU 88 2HD1 LEU 88 -16.768 -3.318 3.647 673 3HD1 LEU 88 3HD1 LEU 88 -15.818 -2.484 2.418 674 1HD2 LEU 88 1HD2 LEU 88 -15.711 -4.620 4.677 675 2HD2 LEU 88 2HD2 LEU 88 -14.554 -4.098 5.903 676 3HD2 LEU 88 3HD2 LEU 88 -13.983 -4.668 4.339 677 H VAL 89 H VAL 89 -13.080 0.464 3.646 678 HA VAL 89 HA VAL 89 -13.933 1.169 6.362 679 HB VAL 89 HB VAL 89 -11.703 2.096 6.124 680 1HG1 VAL 89 1HG1 VAL 89 -12.398 2.412 3.445 681 2HG1 VAL 89 2HG1 VAL 89 -10.892 2.905 4.219 682 3HG1 VAL 89 3HG1 VAL 89 -12.222 4.053 4.067 683 1HG2 VAL 89 1HG2 VAL 89 -12.203 4.455 6.533 684 2HG2 VAL 89 2HG2 VAL 89 -13.357 3.404 7.355 685 3HG2 VAL 89 3HG2 VAL 89 -13.820 4.231 5.867 686 H HIS 90 H HIS 90 -15.518 2.810 6.474 687 HA HIS 90 HA HIS 90 -17.205 2.954 4.114 688 1HB HIS 90 1HB HIS 90 -17.781 2.687 6.762 689 2HB HIS 90 2HB HIS 90 -18.021 4.417 6.546 690 HD1 HIS 90 HD1 HIS 90 -20.090 5.189 5.311 691 HD2 HIS 90 HD2 HIS 90 -19.553 1.043 5.237 692 HE1 HIS 90 HE1 HIS 90 -22.241 4.216 4.384 693 HE2 HIS 90 HE2 HIS 90 -21.848 1.730 4.259 694 H GLY 91 H GLY 91 -17.843 4.843 3.077 695 1HA GLY 91 1HA GLY 91 -16.183 7.210 3.695 696 2HA GLY 91 2HA GLY 91 -16.660 6.749 2.068 697 H MET 92 H MET 92 -18.719 6.772 4.942 698 HA MET 92 HA MET 92 -20.787 8.158 3.610 699 1HB MET 92 1HB MET 92 -21.070 6.598 5.562 700 2HB MET 92 2HB MET 92 -20.466 7.885 6.597 701 1HG MET 92 1HG MET 92 -22.675 8.284 6.825 702 2HG MET 92 2HG MET 92 -22.389 9.244 5.374 703 1HE MET 92 1HE MET 92 -24.428 7.674 2.694 704 2HE MET 92 2HE MET 92 -22.741 8.155 2.868 705 3HE MET 92 3HE MET 92 -24.020 9.171 3.531 706 HA PRO 93 HA PRO 93 -19.385 12.020 6.079 707 1HB PRO 93 1HB PRO 93 -16.938 12.055 7.210 708 2HB PRO 93 2HB PRO 93 -18.354 11.404 8.045 709 1HG PRO 93 1HG PRO 93 -16.152 9.961 6.638 710 2HG PRO 93 2HG PRO 93 -16.977 9.548 8.149 711 1HD PRO 93 1HD PRO 93 -17.529 8.396 5.718 712 2HD PRO 93 2HD PRO 93 -18.682 8.488 7.063 713 H PHE 94 H PHE 94 -16.727 10.296 4.491 714 HA PHE 94 HA PHE 94 -15.397 12.566 3.487 715 1HB PHE 94 1HB PHE 94 -14.951 9.821 3.489 716 2HB PHE 94 2HB PHE 94 -15.135 10.215 1.784 717 HD1 PHE 94 HD1 PHE 94 -13.688 12.335 4.462 718 HD2 PHE 94 HD2 PHE 94 -12.953 10.001 0.979 719 HE1 PHE 94 HE1 PHE 94 -11.370 13.153 4.405 720 HE2 PHE 94 HE2 PHE 94 -10.633 10.818 0.918 721 HZ PHE 94 HZ PHE 94 -9.838 12.395 2.634 722 H VAL 95 H VAL 95 -18.071 10.662 2.233 723 HA VAL 95 HA VAL 95 -18.015 11.864 -0.369 724 HB VAL 95 HB VAL 95 -18.982 9.616 0.079 725 1HG1 VAL 95 1HG1 VAL 95 -21.536 10.818 0.963 726 2HG1 VAL 95 2HG1 VAL 95 -20.249 10.685 2.157 727 3HG1 VAL 95 3HG1 VAL 95 -20.835 9.241 1.333 728 1HG2 VAL 95 1HG2 VAL 95 -20.706 11.695 -1.243 729 2HG2 VAL 95 2HG2 VAL 95 -21.026 9.964 -1.353 730 3HG2 VAL 95 3HG2 VAL 95 -19.523 10.627 -1.998 731 H SER 96 H SER 96 -19.355 12.711 2.688 732 HA SER 96 HA SER 96 -21.550 14.254 2.002 733 1HB SER 96 1HB SER 96 -19.783 15.298 4.148 734 2HB SER 96 2HB SER 96 -21.517 14.977 4.171 735 HG SER 96 HG SER 96 -21.146 13.000 4.826 736 H GLY 97 H GLY 97 -18.147 14.969 1.686 737 1HA GLY 97 1HA GLY 97 -17.157 16.635 0.402 738 2HA GLY 97 2HA GLY 97 -18.757 17.254 0.034 739 H VAL 98 H VAL 98 -18.733 17.019 3.306 740 HA VAL 98 HA VAL 98 -17.794 19.796 3.604 741 HB VAL 98 HB VAL 98 -19.750 18.462 5.460 742 1HG1 VAL 98 1HG1 VAL 98 -18.540 21.049 5.267 743 2HG1 VAL 98 2HG1 VAL 98 -19.617 20.412 6.510 744 3HG1 VAL 98 3HG1 VAL 98 -20.287 21.201 5.083 745 1HG2 VAL 98 1HG2 VAL 98 -21.356 19.987 3.903 746 2HG2 VAL 98 2HG2 VAL 98 -21.133 18.249 3.698 747 3HG2 VAL 98 3HG2 VAL 98 -20.213 19.379 2.705 748 H GLY 99 H GLY 99 -17.695 16.551 4.925 749 1HA GLY 99 1HA GLY 99 -15.912 17.481 7.076 750 2HA GLY 99 2HA GLY 99 -16.784 15.958 7.072 751 H ILE 100 H ILE 100 -15.291 16.811 4.094 752 HA ILE 100 HA ILE 100 -13.632 14.518 4.114 753 HB ILE 100 HB ILE 100 -13.323 16.931 2.323 754 1HG1 ILE 100 1HG1 ILE 100 -15.094 14.499 2.042 755 2HG1 ILE 100 2HG1 ILE 100 -15.612 16.177 2.155 756 1HG2 ILE 100 1HG2 ILE 100 -12.751 14.262 1.272 757 2HG2 ILE 100 2HG2 ILE 100 -11.688 14.758 2.590 758 3HG2 ILE 100 3HG2 ILE 100 -11.824 15.758 1.143 759 1HD1 ILE 100 1HD1 ILE 100 -14.772 16.667 -0.008 760 2HD1 ILE 100 2HD1 ILE 100 -15.701 15.174 -0.135 761 3HD1 ILE 100 3HD1 ILE 100 -13.939 15.115 -0.106 762 H GLU 101 H GLU 101 -12.944 17.968 4.520 763 HA GLU 101 HA GLU 101 -10.168 17.785 4.715 764 1HB GLU 101 1HB GLU 101 -12.216 19.776 5.231 765 2HB GLU 101 2HB GLU 101 -10.900 19.891 6.392 766 1HG GLU 101 1HG GLU 101 -10.378 19.740 3.448 767 2HG GLU 101 2HG GLU 101 -10.745 21.268 4.247 768 H ALA 102 H ALA 102 -12.664 17.495 7.207 769 HA ALA 102 HA ALA 102 -10.835 17.318 9.382 770 1HB ALA 102 1HB ALA 102 -13.184 16.062 10.184 771 2HB ALA 102 2HB ALA 102 -13.699 17.267 9.004 772 3HB ALA 102 3HB ALA 102 -12.757 17.757 10.411 773 H LEU 103 H LEU 103 -12.629 14.915 7.485 774 HA LEU 103 HA LEU 103 -11.649 12.665 8.929 775 1HB LEU 103 1HB LEU 103 -13.720 12.901 7.367 776 2HB LEU 103 2HB LEU 103 -12.582 12.532 6.085 777 HG LEU 103 HG LEU 103 -11.988 10.448 7.476 778 1HD1 LEU 103 1HD1 LEU 103 -14.154 9.723 8.727 779 2HD1 LEU 103 2HD1 LEU 103 -14.424 11.460 8.868 780 3HD1 LEU 103 3HD1 LEU 103 -12.962 10.739 9.539 781 1HD2 LEU 103 1HD2 LEU 103 -13.062 10.114 5.427 782 2HD2 LEU 103 2HD2 LEU 103 -14.554 10.872 5.983 783 3HD2 LEU 103 3HD2 LEU 103 -14.090 9.285 6.597 784 H GLN 104 H GLN 104 -10.676 14.320 5.988 785 HA GLN 104 HA GLN 104 -8.846 12.601 4.900 786 1HB GLN 104 1HB GLN 104 -9.442 14.674 3.827 787 2HB GLN 104 2HB GLN 104 -8.739 15.611 5.137 788 1HG GLN 104 1HG GLN 104 -6.780 13.846 4.005 789 2HG GLN 104 2HG GLN 104 -7.528 14.826 2.748 790 1HE2 GLN 104 1HE2 GLN 104 -5.766 16.106 2.365 791 2HE2 GLN 104 2HE2 GLN 104 -5.165 17.256 3.506 792 H ASN 105 H ASN 105 -8.242 14.983 7.475 793 HA ASN 105 HA ASN 105 -5.517 14.437 7.831 794 1HB ASN 105 1HB ASN 105 -7.482 16.069 9.056 795 2HB ASN 105 2HB ASN 105 -6.737 15.125 10.341 796 1HD2 ASN 105 1HD2 ASN 105 -6.502 17.864 8.479 797 2HD2 ASN 105 2HD2 ASN 105 -4.852 18.268 8.797 798 H LYS 106 H LYS 106 -8.385 13.055 9.390 799 HA LYS 106 HA LYS 106 -7.126 11.445 11.274 800 1HB LYS 106 1HB LYS 106 -9.761 11.747 10.206 801 2HB LYS 106 2HB LYS 106 -9.389 10.032 10.290 802 1HG LYS 106 1HG LYS 106 -8.880 11.805 12.643 803 2HG LYS 106 2HG LYS 106 -10.500 11.189 12.311 804 1HD LYS 106 1HD LYS 106 -9.233 8.891 12.120 805 2HD LYS 106 2HD LYS 106 -8.033 9.719 13.113 806 1HE LYS 106 1HE LYS 106 -9.421 8.682 14.672 807 2HE LYS 106 2HE LYS 106 -10.009 10.344 14.627 808 1HZ LYS 106 1HZ LYS 106 -11.593 9.351 12.820 809 2HZ LYS 106 2HZ LYS 106 -11.956 9.192 14.463 810 3HZ LYS 106 3HZ LYS 106 -11.271 7.896 13.621 811 H ILE 107 H ILE 107 -8.071 10.624 7.934 812 HA ILE 107 HA ILE 107 -7.156 7.971 8.002 813 HB ILE 107 HB ILE 107 -7.311 9.781 5.590 814 1HG1 ILE 107 1HG1 ILE 107 -9.431 9.603 6.949 815 2HG1 ILE 107 2HG1 ILE 107 -9.568 9.029 5.291 816 1HG2 ILE 107 1HG2 ILE 107 -7.909 7.285 4.719 817 2HG2 ILE 107 2HG2 ILE 107 -6.721 6.930 5.973 818 3HG2 ILE 107 3HG2 ILE 107 -6.303 8.010 4.643 819 1HD1 ILE 107 1HD1 ILE 107 -9.597 6.779 5.968 820 2HD1 ILE 107 2HD1 ILE 107 -10.675 7.630 7.075 821 3HD1 ILE 107 3HD1 ILE 107 -9.050 7.179 7.595 822 H LEU 108 H LEU 108 -5.549 10.978 7.023 823 HA LEU 108 HA LEU 108 -3.181 9.918 6.037 824 1HB LEU 108 1HB LEU 108 -3.969 12.501 7.289 825 2HB LEU 108 2HB LEU 108 -2.260 12.177 7.075 826 HG LEU 108 HG LEU 108 -3.579 11.570 4.629 827 1HD1 LEU 108 1HD1 LEU 108 -4.114 14.237 4.438 828 2HD1 LEU 108 2HD1 LEU 108 -4.711 13.850 6.052 829 3HD1 LEU 108 3HD1 LEU 108 -5.311 12.961 4.652 830 1HD2 LEU 108 1HD2 LEU 108 -1.666 12.446 3.913 831 2HD2 LEU 108 2HD2 LEU 108 -1.272 12.896 5.571 832 3HD2 LEU 108 3HD2 LEU 108 -2.127 14.032 4.530 833 H THR 109 H THR 109 -3.927 10.981 9.345 834 HA THR 109 HA THR 109 -1.482 10.419 10.519 835 HB THR 109 HB THR 109 -2.938 10.048 12.630 836 HG1 THR 109 HG1 THR 109 -5.046 10.424 12.437 837 1HG2 THR 109 1HG2 THR 109 -2.677 12.531 11.037 838 2HG2 THR 109 2HG2 THR 109 -2.069 12.145 12.647 839 3HG2 THR 109 3HG2 THR 109 -3.773 12.543 12.418 840 H ILE 110 H ILE 110 -4.219 8.256 9.897 841 HA ILE 110 HA ILE 110 -3.169 6.044 11.323 842 HB ILE 110 HB ILE 110 -4.942 5.780 8.902 843 1HG1 ILE 110 1HG1 ILE 110 -6.090 7.430 10.118 844 2HG1 ILE 110 2HG1 ILE 110 -6.836 5.924 10.627 845 1HG2 ILE 110 1HG2 ILE 110 -5.850 3.876 10.191 846 2HG2 ILE 110 2HG2 ILE 110 -4.638 4.181 11.437 847 3HG2 ILE 110 3HG2 ILE 110 -4.135 3.704 9.815 848 1HD1 ILE 110 1HD1 ILE 110 -4.867 6.214 12.480 849 2HD1 ILE 110 2HD1 ILE 110 -6.542 6.722 12.687 850 3HD1 ILE 110 3HD1 ILE 110 -5.324 7.888 12.169 851 H LEU 111 H LEU 111 -2.960 7.023 7.918 852 HA LEU 111 HA LEU 111 -1.451 4.763 7.097 853 1HB LEU 111 1HB LEU 111 -1.790 7.480 5.833 854 2HB LEU 111 2HB LEU 111 -0.947 6.144 5.071 855 HG LEU 111 HG LEU 111 -3.836 5.976 5.918 856 1HD1 LEU 111 1HD1 LEU 111 -3.813 7.723 4.335 857 2HD1 LEU 111 2HD1 LEU 111 -4.277 6.271 3.446 858 3HD1 LEU 111 3HD1 LEU 111 -2.631 6.893 3.322 859 1HD2 LEU 111 1HD2 LEU 111 -2.462 3.880 5.535 860 2HD2 LEU 111 2HD2 LEU 111 -2.363 4.371 3.844 861 3HD2 LEU 111 3HD2 LEU 111 -3.934 4.038 4.576 862 H GLN 112 H GLN 112 -0.525 8.028 8.168 863 HA GLN 112 HA GLN 112 2.260 7.542 7.642 864 1HB GLN 112 1HB GLN 112 2.661 9.694 8.767 865 2HB GLN 112 2HB GLN 112 1.443 9.820 7.509 866 1HG GLN 112 1HG GLN 112 -0.225 10.276 8.976 867 2HG GLN 112 2HG GLN 112 0.503 9.336 10.275 868 1HE2 GLN 112 1HE2 GLN 112 -0.580 12.111 10.157 869 2HE2 GLN 112 2HE2 GLN 112 0.693 13.113 10.756 870 H GLY 113 H GLY 113 0.133 7.282 10.416 871 1HA GLY 113 1HA GLY 113 0.474 6.434 12.526 872 2HA GLY 113 2HA GLY 113 1.703 5.435 11.767 Start of MODEL 9 1 1H MET 1 1H MET 1 11.131 -1.402 -36.543 2 2H MET 1 2H MET 1 11.089 0.040 -37.473 3 3H MET 1 3H MET 1 12.295 -0.174 -36.272 4 HA MET 1 HA MET 1 13.197 -0.500 -38.437 5 1HB MET 1 1HB MET 1 13.602 -1.977 -36.240 6 2HB MET 1 2HB MET 1 13.040 -3.250 -37.313 7 1HG MET 1 1HG MET 1 15.122 -3.420 -38.040 8 2HG MET 1 2HG MET 1 14.891 -1.863 -38.831 9 1HE MET 1 1HE MET 1 15.880 0.612 -37.490 10 2HE MET 1 2HE MET 1 16.493 -0.380 -38.813 11 3HE MET 1 3HE MET 1 17.577 0.131 -37.519 12 H GLY 2 H GLY 2 10.490 -0.459 -39.176 13 1HA GLY 2 1HA GLY 2 9.855 -1.239 -41.422 14 2HA GLY 2 2HA GLY 2 10.355 -2.845 -40.916 15 H SER 3 H SER 3 9.044 -4.006 -39.428 16 HA SER 3 HA SER 3 6.613 -3.016 -38.387 17 1HB SER 3 1HB SER 3 6.131 -3.140 -40.907 18 2HB SER 3 2HB SER 3 6.182 -4.891 -40.708 19 HG SER 3 HG SER 3 4.226 -4.765 -39.989 20 H SER 4 H SER 4 5.066 -5.237 -38.215 21 HA SER 4 HA SER 4 4.811 -7.186 -37.069 22 1HB SER 4 1HB SER 4 6.279 -8.003 -38.983 23 2HB SER 4 2HB SER 4 7.640 -7.878 -37.868 24 HG SER 4 HG SER 4 6.477 -9.323 -36.478 25 H HIS 5 H HIS 5 4.682 -6.309 -35.020 26 HA HIS 5 HA HIS 5 5.253 -6.011 -32.836 27 1HB HIS 5 1HB HIS 5 6.926 -8.169 -33.763 28 2HB HIS 5 2HB HIS 5 7.807 -7.194 -32.592 29 HD1 HIS 5 HD1 HIS 5 4.686 -6.661 -31.307 30 HD2 HIS 5 HD2 HIS 5 7.017 -10.119 -31.592 31 HE1 HIS 5 HE1 HIS 5 3.821 -8.243 -29.524 32 HE2 HIS 5 HE2 HIS 5 5.305 -10.275 -29.658 33 H HIS 6 H HIS 6 6.389 -4.542 -31.572 34 HA HIS 6 HA HIS 6 8.154 -2.765 -33.079 35 1HB HIS 6 1HB HIS 6 7.051 -2.256 -30.321 36 2HB HIS 6 2HB HIS 6 7.652 -1.082 -31.486 37 HD1 HIS 6 HD1 HIS 6 6.017 -2.056 -33.963 38 HD2 HIS 6 HD2 HIS 6 4.459 -1.392 -30.141 39 HE1 HIS 6 HE1 HIS 6 3.540 -1.614 -34.278 40 HE2 HIS 6 HE2 HIS 6 2.618 -1.286 -31.955 41 H HIS 7 H HIS 7 8.386 -5.292 -30.877 42 HA HIS 7 HA HIS 7 10.097 -6.180 -29.682 43 1HB HIS 7 1HB HIS 7 11.588 -4.288 -31.481 44 2HB HIS 7 2HB HIS 7 12.436 -5.224 -30.256 45 HD1 HIS 7 HD1 HIS 7 13.625 -6.998 -31.508 46 HD2 HIS 7 HD2 HIS 7 9.669 -6.526 -32.775 47 HE1 HIS 7 HE1 HIS 7 13.201 -8.840 -33.200 48 HE2 HIS 7 HE2 HIS 7 10.836 -8.487 -33.995 49 H HIS 8 H HIS 8 9.463 -5.549 -27.649 50 HA HIS 8 HA HIS 8 10.485 -2.989 -26.640 51 1HB HIS 8 1HB HIS 8 8.503 -4.874 -25.346 52 2HB HIS 8 2HB HIS 8 8.930 -3.260 -24.788 53 HD1 HIS 8 HD1 HIS 8 7.647 -4.717 -28.085 54 HD2 HIS 8 HD2 HIS 8 6.990 -1.523 -25.468 55 HE1 HIS 8 HE1 HIS 8 5.745 -3.367 -29.081 56 HE2 HIS 8 HE2 HIS 8 5.346 -1.475 -27.464 57 H HIS 9 H HIS 9 9.927 -6.166 -25.133 58 HA HIS 9 HA HIS 9 11.212 -7.478 -23.802 59 1HB HIS 9 1HB HIS 9 12.805 -7.414 -25.685 60 2HB HIS 9 2HB HIS 9 13.536 -5.962 -25.009 61 HD1 HIS 9 HD1 HIS 9 12.791 -7.959 -22.183 62 HD2 HIS 9 HD2 HIS 9 15.731 -8.088 -25.153 63 HE1 HIS 9 HE1 HIS 9 14.682 -9.362 -21.242 64 HE2 HIS 9 HE2 HIS 9 16.468 -9.357 -23.022 65 H HIS 10 H HIS 10 13.190 -4.516 -23.746 66 HA HIS 10 HA HIS 10 12.514 -4.217 -20.895 67 1HB HIS 10 1HB HIS 10 15.127 -4.618 -22.148 68 2HB HIS 10 2HB HIS 10 15.080 -3.192 -21.121 69 HD1 HIS 10 HD1 HIS 10 16.920 -5.027 -19.976 70 HD2 HIS 10 HD2 HIS 10 12.817 -5.590 -19.416 71 HE1 HIS 10 HE1 HIS 10 16.685 -6.502 -17.928 72 HE2 HIS 10 HE2 HIS 10 14.205 -6.662 -17.516 73 H HIS 11 H HIS 11 11.232 -2.868 -23.010 74 HA HIS 11 HA HIS 11 12.403 -0.220 -23.210 75 1HB HIS 11 1HB HIS 11 10.297 -1.729 -24.577 76 2HB HIS 11 2HB HIS 11 9.871 -0.045 -24.296 77 HD1 HIS 11 HD1 HIS 11 11.947 -2.251 -26.403 78 HD2 HIS 11 HD2 HIS 11 11.628 1.835 -25.580 79 HE1 HIS 11 HE1 HIS 11 13.218 -1.060 -28.246 80 HE2 HIS 11 HE2 HIS 11 13.084 1.391 -27.673 81 H HIS 12 H HIS 12 12.316 0.176 -20.860 82 HA HIS 12 HA HIS 12 9.982 1.695 -20.185 83 1HB HIS 12 1HB HIS 12 9.556 0.432 -18.036 84 2HB HIS 12 2HB HIS 12 9.068 -0.405 -19.509 85 HD1 HIS 12 HD1 HIS 12 11.762 -1.594 -20.374 86 HD2 HIS 12 HD2 HIS 12 10.319 -1.656 -16.451 87 HE1 HIS 12 HE1 HIS 12 12.987 -3.470 -19.202 88 HE2 HIS 12 HE2 HIS 12 12.031 -3.551 -16.873 89 H GLU 13 H GLU 13 12.557 0.008 -18.360 90 HA GLU 13 HA GLU 13 14.212 0.752 -17.011 91 1HB GLU 13 1HB GLU 13 13.941 3.443 -18.338 92 2HB GLU 13 2HB GLU 13 15.370 2.737 -17.597 93 1HG GLU 13 1HG GLU 13 14.936 0.895 -19.466 94 2HG GLU 13 2HG GLU 13 14.193 2.277 -20.267 95 H ASN 14 H ASN 14 12.307 3.744 -17.369 96 HA ASN 14 HA ASN 14 11.177 3.516 -14.744 97 1HB ASN 14 1HB ASN 14 13.553 4.287 -14.319 98 2HB ASN 14 2HB ASN 14 13.141 5.770 -15.174 99 1HD2 ASN 14 1HD2 ASN 14 12.193 7.364 -14.085 100 2HD2 ASN 14 2HD2 ASN 14 11.599 7.250 -12.467 101 H LEU 15 H LEU 15 9.287 4.562 -14.716 102 HA LEU 15 HA LEU 15 8.829 7.069 -15.944 103 1HB LEU 15 1HB LEU 15 8.761 4.960 -17.734 104 2HB LEU 15 2HB LEU 15 7.071 5.200 -17.337 105 HG LEU 15 HG LEU 15 7.212 7.535 -18.044 106 1HD1 LEU 15 1HD1 LEU 15 9.245 8.346 -19.182 107 2HD1 LEU 15 2HD1 LEU 15 10.086 6.882 -18.676 108 3HD1 LEU 15 3HD1 LEU 15 9.503 8.027 -17.467 109 1HD2 LEU 15 1HD2 LEU 15 8.398 6.488 -20.437 110 2HD2 LEU 15 2HD2 LEU 15 6.708 6.855 -20.096 111 3HD2 LEU 15 3HD2 LEU 15 7.362 5.268 -19.696 112 H TYR 16 H TYR 16 8.319 6.725 -13.504 113 HA TYR 16 HA TYR 16 6.767 6.830 -11.853 114 1HB TYR 16 1HB TYR 16 5.058 7.214 -14.288 115 2HB TYR 16 2HB TYR 16 4.307 7.058 -12.703 116 HD1 TYR 16 HD1 TYR 16 3.890 9.002 -11.530 117 HD2 TYR 16 HD2 TYR 16 7.085 8.953 -14.339 118 HE1 TYR 16 HE1 TYR 16 4.294 11.390 -11.101 119 HE2 TYR 16 HE2 TYR 16 7.500 11.340 -13.917 120 HH TYR 16 HH TYR 16 5.693 13.371 -12.907 121 H PHE 17 H PHE 17 7.579 4.515 -11.663 122 HA PHE 17 HA PHE 17 5.236 2.764 -11.569 123 1HB PHE 17 1HB PHE 17 7.734 2.284 -13.094 124 2HB PHE 17 2HB PHE 17 7.088 0.918 -12.192 125 HD1 PHE 17 HD1 PHE 17 7.242 2.070 -15.316 126 HD2 PHE 17 HD2 PHE 17 4.267 1.068 -12.443 127 HE1 PHE 17 HE1 PHE 17 5.639 1.638 -17.132 128 HE2 PHE 17 HE2 PHE 17 2.659 0.633 -14.255 129 HZ PHE 17 HZ PHE 17 3.345 0.917 -16.602 130 H GLN 18 H GLN 18 7.240 4.312 -9.747 131 HA GLN 18 HA GLN 18 8.111 2.084 -8.064 132 1HB GLN 18 1HB GLN 18 9.311 3.861 -6.769 133 2HB GLN 18 2HB GLN 18 9.827 3.717 -8.443 134 1HG GLN 18 1HG GLN 18 8.214 5.634 -8.925 135 2HG GLN 18 2HG GLN 18 8.161 5.863 -7.179 136 1HE2 GLN 18 1HE2 GLN 18 9.350 7.564 -6.697 137 2HE2 GLN 18 2HE2 GLN 18 10.933 7.903 -7.301 138 H GLY 19 H GLY 19 6.095 1.440 -7.251 139 1HA GLY 19 1HA GLY 19 5.255 2.899 -4.938 140 2HA GLY 19 2HA GLY 19 4.074 2.975 -6.228 141 H SER 20 H SER 20 6.155 0.240 -5.370 142 HA SER 20 HA SER 20 3.773 -1.423 -5.134 143 1HB SER 20 1HB SER 20 5.616 -3.252 -4.878 144 2HB SER 20 2HB SER 20 5.360 -2.509 -6.457 145 HG SER 20 HG SER 20 7.379 -1.887 -4.565 146 H LYS 21 H LYS 21 2.950 -0.740 -3.128 147 HA LYS 21 HA LYS 21 4.314 -1.944 -0.854 148 1HB LYS 21 1HB LYS 21 4.818 0.619 -1.119 149 2HB LYS 21 2HB LYS 21 3.203 0.808 -0.453 150 1HG LYS 21 1HG LYS 21 4.330 -0.997 1.264 151 2HG LYS 21 2HG LYS 21 5.696 0.039 0.851 152 1HD LYS 21 1HD LYS 21 3.022 1.002 1.859 153 2HD LYS 21 2HD LYS 21 4.474 0.833 2.839 154 1HE LYS 21 1HE LYS 21 5.514 2.368 0.982 155 2HE LYS 21 2HE LYS 21 3.831 2.813 0.705 156 1HZ LYS 21 1HZ LYS 21 5.514 3.845 2.617 157 2HZ LYS 21 2HZ LYS 21 4.456 2.843 3.478 158 3HZ LYS 21 3HZ LYS 21 3.842 4.084 2.504 159 H ARG 22 H ARG 22 1.554 0.310 -1.066 160 HA ARG 22 HA ARG 22 -0.172 -1.889 -0.133 161 1HB ARG 22 1HB ARG 22 -0.648 0.999 0.562 162 2HB ARG 22 2HB ARG 22 -1.320 -0.435 1.324 163 1HG ARG 22 1HG ARG 22 0.938 -0.983 2.178 164 2HG ARG 22 2HG ARG 22 1.517 0.537 1.498 165 1HD ARG 22 1HD ARG 22 -0.670 1.336 2.932 166 2HD ARG 22 2HD ARG 22 -0.034 0.030 3.925 167 HE ARG 22 HE ARG 22 1.400 2.493 3.195 168 1HH1 ARG 22 1HH1 ARG 22 1.141 -0.388 5.161 169 2HH1 ARG 22 2HH1 ARG 22 2.315 0.147 6.312 170 1HH2 ARG 22 1HH2 ARG 22 2.942 3.189 4.717 171 2HH2 ARG 22 2HH2 ARG 22 3.339 2.169 6.060 172 H LYS 23 H LYS 23 -2.371 -1.833 -0.823 173 HA LYS 23 HA LYS 23 -2.941 -0.012 -3.056 174 1HB LYS 23 1HB LYS 23 -2.606 -2.908 -3.148 175 2HB LYS 23 2HB LYS 23 -4.137 -2.383 -3.824 176 1HG LYS 23 1HG LYS 23 -3.115 -1.831 -5.707 177 2HG LYS 23 2HG LYS 23 -2.121 -0.666 -4.833 178 1HD LYS 23 1HD LYS 23 -0.605 -2.119 -5.920 179 2HD LYS 23 2HD LYS 23 -0.614 -2.620 -4.230 180 1HE LYS 23 1HE LYS 23 -2.415 -3.917 -6.245 181 2HE LYS 23 2HE LYS 23 -0.736 -4.425 -6.069 182 1HZ LYS 23 1HZ LYS 23 -1.834 -4.302 -3.515 183 2HZ LYS 23 2HZ LYS 23 -1.357 -5.677 -4.371 184 3HZ LYS 23 3HZ LYS 23 -2.953 -5.121 -4.485 185 H ILE 24 H ILE 24 -4.900 0.928 -2.881 186 HA ILE 24 HA ILE 24 -6.813 -0.230 -0.982 187 HB ILE 24 HB ILE 24 -7.894 2.093 -1.180 188 1HG1 ILE 24 1HG1 ILE 24 -6.355 2.625 -3.201 189 2HG1 ILE 24 2HG1 ILE 24 -6.680 3.889 -2.024 190 1HG2 ILE 24 1HG2 ILE 24 -6.087 3.073 0.377 191 2HG2 ILE 24 2HG2 ILE 24 -5.324 1.490 0.214 192 3HG2 ILE 24 3HG2 ILE 24 -6.960 1.623 0.863 193 1HD1 ILE 24 1HD1 ILE 24 -4.228 3.265 -2.933 194 2HD1 ILE 24 2HD1 ILE 24 -4.298 2.255 -1.490 195 3HD1 ILE 24 3HD1 ILE 24 -4.540 3.996 -1.359 196 H ILE 25 H ILE 25 -9.027 -0.447 -1.564 197 HA ILE 25 HA ILE 25 -9.547 -0.249 -4.454 198 HB ILE 25 HB ILE 25 -9.460 -2.585 -3.715 199 1HG1 ILE 25 1HG1 ILE 25 -12.231 -2.789 -4.089 200 2HG1 ILE 25 2HG1 ILE 25 -11.762 -1.321 -4.937 201 1HG2 ILE 25 1HG2 ILE 25 -11.911 -2.465 -2.124 202 2HG2 ILE 25 2HG2 ILE 25 -10.513 -1.692 -1.384 203 3HG2 ILE 25 3HG2 ILE 25 -10.426 -3.383 -1.867 204 1HD1 ILE 25 1HD1 ILE 25 -9.876 -3.357 -5.544 205 2HD1 ILE 25 2HD1 ILE 25 -11.000 -2.523 -6.618 206 3HD1 ILE 25 3HD1 ILE 25 -11.505 -3.992 -5.783 207 H VAL 26 H VAL 26 -11.566 0.567 -5.096 208 HA VAL 26 HA VAL 26 -13.222 1.711 -2.941 209 HB VAL 26 HB VAL 26 -12.870 3.064 -5.605 210 1HG1 VAL 26 1HG1 VAL 26 -13.359 4.851 -3.463 211 2HG1 VAL 26 2HG1 VAL 26 -14.490 3.507 -3.309 212 3HG1 VAL 26 3HG1 VAL 26 -14.420 4.433 -4.807 213 1HG2 VAL 26 1HG2 VAL 26 -11.284 4.611 -4.453 214 2HG2 VAL 26 2HG2 VAL 26 -10.653 2.986 -4.717 215 3HG2 VAL 26 3HG2 VAL 26 -11.219 3.464 -3.116 216 H ALA 27 H ALA 27 -15.164 0.752 -2.981 217 HA ALA 27 HA ALA 27 -16.242 -0.057 -5.594 218 1HB ALA 27 1HB ALA 27 -15.931 -2.006 -4.318 219 2HB ALA 27 2HB ALA 27 -17.658 -1.655 -4.231 220 3HB ALA 27 3HB ALA 27 -16.607 -1.260 -2.871 221 H CYS 28 H CYS 28 -17.928 0.980 -6.334 222 HA CYS 28 HA CYS 28 -19.665 2.440 -6.481 223 1HB CYS 28 1HB CYS 28 -20.299 0.560 -4.324 224 2HB CYS 28 2HB CYS 28 -21.192 2.073 -4.217 225 HG CYS 28 HG CYS 28 -21.828 -0.145 -6.084 226 H GLY 29 H GLY 29 -21.115 3.930 -4.702 227 1HA GLY 29 1HA GLY 29 -20.409 5.272 -2.625 228 2HA GLY 29 2HA GLY 29 -19.026 5.699 -3.616 229 H GLY 30 H GLY 30 -21.824 5.376 -5.489 230 1HA GLY 30 1HA GLY 30 -23.402 6.908 -6.241 231 2HA GLY 30 2HA GLY 30 -22.792 8.069 -5.069 232 H ALA 31 H ALA 31 -23.166 7.607 -8.251 233 HA ALA 31 HA ALA 31 -20.598 8.578 -9.158 234 1HB ALA 31 1HB ALA 31 -21.346 8.179 -11.313 235 2HB ALA 31 2HB ALA 31 -23.036 8.444 -10.885 236 3HB ALA 31 3HB ALA 31 -22.220 6.964 -10.381 237 H VAL 32 H VAL 32 -21.482 10.292 -11.234 238 HA VAL 32 HA VAL 32 -21.799 12.513 -11.639 239 HB VAL 32 HB VAL 32 -23.824 12.442 -9.406 240 1HG1 VAL 32 1HG1 VAL 32 -24.768 14.317 -10.355 241 2HG1 VAL 32 2HG1 VAL 32 -24.077 13.992 -11.944 242 3HG1 VAL 32 3HG1 VAL 32 -23.052 14.603 -10.645 243 1HG2 VAL 32 1HG2 VAL 32 -25.454 11.605 -10.895 244 2HG2 VAL 32 2HG2 VAL 32 -24.055 10.547 -11.071 245 3HG2 VAL 32 3HG2 VAL 32 -24.386 11.783 -12.286 246 H ALA 33 H ALA 33 -19.925 13.506 -11.048 247 HA ALA 33 HA ALA 33 -18.383 14.621 -9.777 248 1HB ALA 33 1HB ALA 33 -20.705 15.777 -8.273 249 2HB ALA 33 2HB ALA 33 -20.430 16.169 -9.970 250 3HB ALA 33 3HB ALA 33 -19.201 16.555 -8.765 251 H THR 34 H THR 34 -18.357 12.178 -8.853 252 HA THR 34 HA THR 34 -17.935 12.518 -6.005 253 HB THR 34 HB THR 34 -19.780 10.373 -7.057 254 HG1 THR 34 HG1 THR 34 -21.154 11.954 -6.887 255 1HG2 THR 34 1HG2 THR 34 -19.132 9.295 -5.208 256 2HG2 THR 34 2HG2 THR 34 -20.193 10.444 -4.393 257 3HG2 THR 34 3HG2 THR 34 -18.457 10.748 -4.471 258 H SER 35 H SER 35 -18.001 10.195 -8.699 259 HA SER 35 HA SER 35 -16.147 8.377 -7.653 260 1HB SER 35 1HB SER 35 -15.828 8.488 -10.490 261 2HB SER 35 2HB SER 35 -16.712 7.297 -9.535 262 HG SER 35 HG SER 35 -18.514 8.186 -10.137 263 H THR 36 H THR 36 -15.683 11.201 -9.752 264 HA THR 36 HA THR 36 -12.847 10.906 -9.869 265 HB THR 36 HB THR 36 -13.962 12.075 -11.658 266 HG1 THR 36 HG1 THR 36 -11.981 12.929 -11.402 267 1HG2 THR 36 1HG2 THR 36 -14.954 14.319 -11.297 268 2HG2 THR 36 2HG2 THR 36 -14.899 14.014 -9.561 269 3HG2 THR 36 3HG2 THR 36 -15.892 12.996 -10.605 270 H MET 37 H MET 37 -15.091 12.793 -7.900 271 HA MET 37 HA MET 37 -13.383 14.520 -6.622 272 1HB MET 37 1HB MET 37 -15.972 13.314 -6.020 273 2HB MET 37 2HB MET 37 -15.052 13.702 -4.572 274 1HG MET 37 1HG MET 37 -14.705 15.999 -5.758 275 2HG MET 37 2HG MET 37 -16.131 15.514 -6.674 276 1HE MET 37 1HE MET 37 -14.713 15.494 -3.069 277 2HE MET 37 2HE MET 37 -15.913 16.432 -2.180 278 3HE MET 37 3HE MET 37 -14.908 17.215 -3.400 279 H ALA 38 H ALA 38 -14.197 11.216 -5.505 280 HA ALA 38 HA ALA 38 -12.319 11.258 -3.385 281 1HB ALA 38 1HB ALA 38 -12.654 8.605 -3.884 282 2HB ALA 38 2HB ALA 38 -14.115 9.285 -4.601 283 3HB ALA 38 3HB ALA 38 -13.740 9.591 -2.905 284 H ALA 39 H ALA 39 -12.229 9.486 -6.491 285 HA ALA 39 HA ALA 39 -9.713 8.439 -6.365 286 1HB ALA 39 1HB ALA 39 -9.741 9.040 -8.963 287 2HB ALA 39 2HB ALA 39 -11.438 9.346 -8.592 288 3HB ALA 39 3HB ALA 39 -10.736 7.761 -8.268 289 H GLU 40 H GLU 40 -10.470 11.620 -7.816 290 HA GLU 40 HA GLU 40 -7.822 12.413 -8.224 291 1HB GLU 40 1HB GLU 40 -10.398 13.566 -8.515 292 2HB GLU 40 2HB GLU 40 -9.421 14.707 -7.607 293 1HG GLU 40 1HG GLU 40 -8.893 15.396 -9.686 294 2HG GLU 40 2HG GLU 40 -7.676 14.129 -9.526 295 H GLU 41 H GLU 41 -9.902 12.733 -5.399 296 HA GLU 41 HA GLU 41 -8.154 14.441 -3.938 297 1HB GLU 41 1HB GLU 41 -10.670 13.961 -3.539 298 2HB GLU 41 2HB GLU 41 -10.101 12.582 -2.611 299 1HG GLU 41 1HG GLU 41 -10.122 14.028 -0.905 300 2HG GLU 41 2HG GLU 41 -8.578 14.560 -1.571 301 H ILE 42 H ILE 42 -8.753 10.936 -3.775 302 HA ILE 42 HA ILE 42 -6.799 10.448 -1.789 303 HB ILE 42 HB ILE 42 -7.636 8.388 -3.816 304 1HG1 ILE 42 1HG1 ILE 42 -9.654 9.609 -2.927 305 2HG1 ILE 42 2HG1 ILE 42 -9.617 7.896 -2.547 306 1HG2 ILE 42 1HG2 ILE 42 -7.586 7.187 -1.384 307 2HG2 ILE 42 2HG2 ILE 42 -6.337 8.418 -1.186 308 3HG2 ILE 42 3HG2 ILE 42 -6.220 7.247 -2.499 309 1HD1 ILE 42 1HD1 ILE 42 -10.377 9.271 -0.674 310 2HD1 ILE 42 2HD1 ILE 42 -8.826 10.107 -0.673 311 3HD1 ILE 42 3HD1 ILE 42 -8.900 8.386 -0.296 312 H LYS 43 H LYS 43 -6.703 10.482 -5.312 313 HA LYS 43 HA LYS 43 -4.063 9.419 -5.534 314 1HB LYS 43 1HB LYS 43 -6.127 9.968 -7.302 315 2HB LYS 43 2HB LYS 43 -4.894 11.137 -7.744 316 1HG LYS 43 1HG LYS 43 -3.632 8.621 -7.387 317 2HG LYS 43 2HG LYS 43 -5.056 8.387 -8.401 318 1HD LYS 43 1HD LYS 43 -3.058 10.576 -8.912 319 2HD LYS 43 2HD LYS 43 -2.877 8.956 -9.588 320 1HE LYS 43 1HE LYS 43 -5.515 10.226 -9.957 321 2HE LYS 43 2HE LYS 43 -4.174 10.968 -10.828 322 1HZ LYS 43 1HZ LYS 43 -3.928 8.233 -11.187 323 2HZ LYS 43 2HZ LYS 43 -4.394 9.382 -12.338 324 3HZ LYS 43 3HZ LYS 43 -5.568 8.583 -11.419 325 H GLU 44 H GLU 44 -5.346 12.731 -5.973 326 HA GLU 44 HA GLU 44 -2.952 14.047 -6.381 327 1HB GLU 44 1HB GLU 44 -4.058 16.078 -5.726 328 2HB GLU 44 2HB GLU 44 -5.216 15.073 -6.583 329 1HG GLU 44 1HG GLU 44 -6.597 15.053 -4.849 330 2HG GLU 44 2HG GLU 44 -5.314 14.572 -3.743 331 H LEU 45 H LEU 45 -4.338 12.878 -3.406 332 HA LEU 45 HA LEU 45 -2.504 14.292 -1.706 333 1HB LEU 45 1HB LEU 45 -4.808 12.541 -1.412 334 2HB LEU 45 2HB LEU 45 -3.554 12.197 -0.234 335 HG LEU 45 HG LEU 45 -3.610 14.789 0.157 336 1HD1 LEU 45 1HD1 LEU 45 -5.734 15.814 -0.212 337 2HD1 LEU 45 2HD1 LEU 45 -6.418 14.308 -0.824 338 3HD1 LEU 45 3HD1 LEU 45 -5.182 15.156 -1.753 339 1HD2 LEU 45 1HD2 LEU 45 -5.349 14.431 1.871 340 2HD2 LEU 45 2HD2 LEU 45 -4.136 13.149 1.839 341 3HD2 LEU 45 3HD2 LEU 45 -5.723 12.878 1.123 342 H CYS 46 H CYS 46 -2.799 11.015 -2.986 343 HA CYS 46 HA CYS 46 -0.785 9.766 -1.535 344 1HB CYS 46 1HB CYS 46 -1.890 9.317 -4.295 345 2HB CYS 46 2HB CYS 46 -0.573 8.326 -3.679 346 HG CYS 46 HG CYS 46 -2.252 7.611 -1.720 347 H GLN 47 H GLN 47 -0.598 11.846 -4.352 348 HA GLN 47 HA GLN 47 2.207 11.375 -4.786 349 1HB GLN 47 1HB GLN 47 0.166 13.236 -5.958 350 2HB GLN 47 2HB GLN 47 1.876 13.470 -6.295 351 1HG GLN 47 1HG GLN 47 2.048 11.356 -7.352 352 2HG GLN 47 2HG GLN 47 0.448 10.873 -6.789 353 1HE2 GLN 47 1HE2 GLN 47 -1.334 11.492 -7.913 354 2HE2 GLN 47 2HE2 GLN 47 -1.277 12.348 -9.412 355 H SER 48 H SER 48 0.239 14.008 -3.451 356 HA SER 48 HA SER 48 2.221 15.868 -2.944 357 1HB SER 48 1HB SER 48 -0.115 16.424 -2.634 358 2HB SER 48 2HB SER 48 -0.260 15.252 -1.324 359 HG SER 48 HG SER 48 0.465 16.713 -0.014 360 H HIS 49 H HIS 49 1.218 13.113 -0.964 361 HA HIS 49 HA HIS 49 3.209 13.727 1.056 362 1HB HIS 49 1HB HIS 49 0.991 11.748 0.787 363 2HB HIS 49 2HB HIS 49 2.308 11.383 1.898 364 HD1 HIS 49 HD1 HIS 49 0.679 14.762 1.267 365 HD2 HIS 49 HD2 HIS 49 1.152 11.928 4.304 366 HE1 HIS 49 HE1 HIS 49 -0.297 15.804 3.362 367 HE2 HIS 49 HE2 HIS 49 0.084 14.111 5.190 368 H ASN 50 H ASN 50 3.140 12.080 -1.880 369 HA ASN 50 HA ASN 50 4.604 10.712 -2.948 370 1HB ASN 50 1HB ASN 50 6.179 12.448 -1.732 371 2HB ASN 50 2HB ASN 50 6.626 11.043 -0.767 372 1HD2 ASN 50 1HD2 ASN 50 8.554 12.201 -2.190 373 2HD2 ASN 50 2HD2 ASN 50 8.986 11.240 -3.557 374 H ILE 51 H ILE 51 2.747 9.422 -1.478 375 HA ILE 51 HA ILE 51 4.175 7.338 0.003 376 HB ILE 51 HB ILE 51 1.197 7.771 -0.154 377 1HG1 ILE 51 1HG1 ILE 51 3.149 8.660 1.981 378 2HG1 ILE 51 2HG1 ILE 51 2.373 9.723 0.813 379 1HG2 ILE 51 1HG2 ILE 51 2.271 6.475 2.210 380 2HG2 ILE 51 2HG2 ILE 51 2.659 5.594 0.731 381 3HG2 ILE 51 3HG2 ILE 51 0.980 5.958 1.125 382 1HD1 ILE 51 1HD1 ILE 51 0.973 10.042 2.548 383 2HD1 ILE 51 2HD1 ILE 51 1.293 8.454 3.239 384 3HD1 ILE 51 3HD1 ILE 51 0.197 8.611 1.865 385 HA PRO 52 HA PRO 52 3.911 5.041 -3.903 386 1HB PRO 52 1HB PRO 52 5.062 3.023 -2.027 387 2HB PRO 52 2HB PRO 52 5.582 3.468 -3.654 388 1HG PRO 52 1HG PRO 52 6.950 4.317 -1.560 389 2HG PRO 52 2HG PRO 52 6.647 5.403 -2.930 390 1HD PRO 52 1HD PRO 52 5.326 5.315 -0.253 391 2HD PRO 52 2HD PRO 52 5.782 6.717 -1.241 392 H VAL 53 H VAL 53 1.694 4.714 -4.096 393 HA VAL 53 HA VAL 53 0.721 2.164 -3.140 394 HB VAL 53 HB VAL 53 -1.388 3.088 -2.217 395 1HG1 VAL 53 1HG1 VAL 53 0.904 4.203 -0.642 396 2HG1 VAL 53 2HG1 VAL 53 0.699 2.465 -0.858 397 3HG1 VAL 53 3HG1 VAL 53 -0.562 3.410 -0.064 398 1HG2 VAL 53 1HG2 VAL 53 0.054 5.733 -2.256 399 2HG2 VAL 53 2HG2 VAL 53 -1.545 5.416 -1.589 400 3HG2 VAL 53 3HG2 VAL 53 -1.273 5.287 -3.327 401 H GLU 54 H GLU 54 -1.425 1.625 -4.067 402 HA GLU 54 HA GLU 54 -2.008 3.113 -6.538 403 1HB GLU 54 1HB GLU 54 -2.304 0.161 -6.637 404 2HB GLU 54 2HB GLU 54 -1.830 1.286 -7.899 405 1HG GLU 54 1HG GLU 54 0.239 1.270 -5.967 406 2HG GLU 54 2HG GLU 54 -0.197 -0.402 -6.294 407 H LEU 55 H LEU 55 -4.084 3.658 -6.689 408 HA LEU 55 HA LEU 55 -6.021 2.405 -4.904 409 1HB LEU 55 1HB LEU 55 -5.897 4.837 -4.906 410 2HB LEU 55 2HB LEU 55 -6.202 4.876 -6.630 411 HG LEU 55 HG LEU 55 -8.445 3.678 -5.973 412 1HD1 LEU 55 1HD1 LEU 55 -8.188 3.272 -3.688 413 2HD1 LEU 55 2HD1 LEU 55 -9.209 4.709 -3.753 414 3HD1 LEU 55 3HD1 LEU 55 -7.490 4.866 -3.393 415 1HD2 LEU 55 1HD2 LEU 55 -8.297 5.862 -7.023 416 2HD2 LEU 55 2HD2 LEU 55 -7.917 6.605 -5.469 417 3HD2 LEU 55 3HD2 LEU 55 -9.504 5.883 -5.737 418 H ILE 56 H ILE 56 -7.260 0.822 -5.589 419 HA ILE 56 HA ILE 56 -7.762 0.513 -8.466 420 HB ILE 56 HB ILE 56 -8.780 -1.765 -7.205 421 1HG1 ILE 56 1HG1 ILE 56 -7.502 -1.081 -5.160 422 2HG1 ILE 56 2HG1 ILE 56 -7.033 -2.640 -5.815 423 1HG2 ILE 56 1HG2 ILE 56 -7.778 -2.474 -9.045 424 2HG2 ILE 56 2HG2 ILE 56 -6.258 -2.452 -8.152 425 3HG2 ILE 56 3HG2 ILE 56 -6.739 -1.051 -9.108 426 1HD1 ILE 56 1HD1 ILE 56 -5.137 -1.445 -6.973 427 2HD1 ILE 56 2HD1 ILE 56 -5.040 -1.557 -5.216 428 3HD1 ILE 56 3HD1 ILE 56 -5.532 -0.047 -5.974 429 H GLN 57 H GLN 57 -9.885 0.022 -9.241 430 HA GLN 57 HA GLN 57 -12.037 0.800 -7.392 431 1HB GLN 57 1HB GLN 57 -11.253 1.948 -9.964 432 2HB GLN 57 2HB GLN 57 -12.948 1.488 -9.914 433 1HG GLN 57 1HG GLN 57 -13.316 3.458 -8.971 434 2HG GLN 57 2HG GLN 57 -12.578 2.786 -7.518 435 1HE2 GLN 57 1HE2 GLN 57 -10.349 3.196 -7.134 436 2HE2 GLN 57 2HE2 GLN 57 -9.582 4.587 -7.810 437 H CYS 58 H CYS 58 -13.644 -0.652 -7.237 438 HA CYS 58 HA CYS 58 -14.296 -2.375 -9.481 439 1HB CYS 58 1HB CYS 58 -12.824 -3.286 -7.131 440 2HB CYS 58 2HB CYS 58 -14.313 -4.187 -7.378 441 HG CYS 58 HG CYS 58 -13.412 -4.867 -9.743 442 H ARG 59 H ARG 59 -16.295 -3.731 -8.913 443 HA ARG 59 HA ARG 59 -18.236 -1.979 -7.713 444 1HB ARG 59 1HB ARG 59 -18.359 -3.679 -9.782 445 2HB ARG 59 2HB ARG 59 -18.938 -4.755 -8.521 446 1HG ARG 59 1HG ARG 59 -20.666 -3.023 -7.963 447 2HG ARG 59 2HG ARG 59 -20.152 -2.150 -9.408 448 1HD ARG 59 1HD ARG 59 -21.123 -3.626 -10.809 449 2HD ARG 59 2HD ARG 59 -20.721 -5.009 -9.798 450 HE ARG 59 HE ARG 59 -23.071 -3.275 -9.508 451 1HH1 ARG 59 1HH1 ARG 59 -21.327 -6.166 -8.591 452 2HH1 ARG 59 2HH1 ARG 59 -22.689 -6.883 -7.803 453 1HH2 ARG 59 1HH2 ARG 59 -24.859 -4.229 -8.467 454 2HH2 ARG 59 2HH2 ARG 59 -24.689 -5.788 -7.731 455 H VAL 60 H VAL 60 -19.956 -4.178 -6.760 456 HA VAL 60 HA VAL 60 -18.778 -4.466 -4.109 457 HB VAL 60 HB VAL 60 -21.576 -5.190 -4.984 458 1HG1 VAL 60 1HG1 VAL 60 -21.026 -6.241 -2.920 459 2HG1 VAL 60 2HG1 VAL 60 -22.045 -4.852 -2.545 460 3HG1 VAL 60 3HG1 VAL 60 -20.303 -4.761 -2.288 461 1HG2 VAL 60 1HG2 VAL 60 -21.017 -2.797 -5.409 462 2HG2 VAL 60 2HG2 VAL 60 -20.685 -2.620 -3.687 463 3HG2 VAL 60 3HG2 VAL 60 -22.309 -3.038 -4.233 464 H ASN 61 H ASN 61 -18.923 -6.255 -6.913 465 HA ASN 61 HA ASN 61 -18.534 -8.756 -5.419 466 1HB ASN 61 1HB ASN 61 -20.812 -8.436 -6.707 467 2HB ASN 61 2HB ASN 61 -19.832 -8.836 -8.114 468 1HD2 ASN 61 1HD2 ASN 61 -21.191 -9.984 -5.144 469 2HD2 ASN 61 2HD2 ASN 61 -20.873 -11.661 -5.406 470 H GLU 62 H GLU 62 -16.442 -7.179 -6.156 471 HA GLU 62 HA GLU 62 -15.132 -8.853 -8.153 472 1HB GLU 62 1HB GLU 62 -15.114 -5.831 -8.251 473 2HB GLU 62 2HB GLU 62 -14.135 -6.884 -9.263 474 1HG GLU 62 1HG GLU 62 -15.963 -7.622 -10.486 475 2HG GLU 62 2HG GLU 62 -17.114 -7.131 -9.245 476 H ILE 63 H ILE 63 -14.916 -6.521 -5.534 477 HA ILE 63 HA ILE 63 -12.182 -6.326 -5.203 478 HB ILE 63 HB ILE 63 -13.997 -6.620 -2.832 479 1HG1 ILE 63 1HG1 ILE 63 -13.885 -3.893 -3.517 480 2HG1 ILE 63 2HG1 ILE 63 -14.298 -4.738 -5.005 481 1HG2 ILE 63 1HG2 ILE 63 -11.869 -6.278 -2.062 482 2HG2 ILE 63 2HG2 ILE 63 -12.450 -4.618 -2.184 483 3HG2 ILE 63 3HG2 ILE 63 -11.411 -5.282 -3.444 484 1HD1 ILE 63 1HD1 ILE 63 -16.347 -5.261 -4.280 485 2HD1 ILE 63 2HD1 ILE 63 -16.079 -3.950 -3.130 486 3HD1 ILE 63 3HD1 ILE 63 -15.789 -5.621 -2.646 487 H GLU 64 H GLU 64 -14.382 -8.864 -4.080 488 HA GLU 64 HA GLU 64 -12.644 -10.295 -2.476 489 1HB GLU 64 1HB GLU 64 -15.190 -10.672 -3.127 490 2HB GLU 64 2HB GLU 64 -14.484 -11.824 -4.254 491 1HG GLU 64 1HG GLU 64 -13.175 -12.486 -1.990 492 2HG GLU 64 2HG GLU 64 -14.713 -11.934 -1.328 493 H THR 65 H THR 65 -12.955 -10.235 -5.972 494 HA THR 65 HA THR 65 -11.031 -12.359 -6.316 495 HB THR 65 HB THR 65 -11.398 -12.135 -8.657 496 HG1 THR 65 HG1 THR 65 -12.710 -9.685 -8.117 497 1HG2 THR 65 1HG2 THR 65 -14.051 -11.419 -7.447 498 2HG2 THR 65 2HG2 THR 65 -13.334 -13.028 -7.358 499 3HG2 THR 65 3HG2 THR 65 -13.742 -12.330 -8.926 500 H TYR 66 H TYR 66 -11.065 -8.793 -6.749 501 HA TYR 66 HA TYR 66 -8.313 -8.790 -7.596 502 1HB TYR 66 1HB TYR 66 -10.243 -6.577 -6.893 503 2HB TYR 66 2HB TYR 66 -8.576 -6.277 -7.365 504 HD1 TYR 66 HD1 TYR 66 -8.265 -5.664 -9.569 505 HD2 TYR 66 HD2 TYR 66 -11.466 -8.288 -8.611 506 HE1 TYR 66 HE1 TYR 66 -8.937 -5.699 -11.935 507 HE2 TYR 66 HE2 TYR 66 -12.146 -8.338 -10.972 508 HH TYR 66 HH TYR 66 -11.917 -6.974 -12.984 509 H MET 67 H MET 67 -9.702 -9.221 -4.622 510 HA MET 67 HA MET 67 -7.901 -7.603 -3.062 511 1HB MET 67 1HB MET 67 -8.846 -8.669 -1.110 512 2HB MET 67 2HB MET 67 -10.132 -8.169 -2.197 513 1HG MET 67 1HG MET 67 -10.882 -10.234 -2.401 514 2HG MET 67 2HG MET 67 -9.276 -10.860 -2.748 515 1HE MET 67 1HE MET 67 -8.521 -12.998 -0.828 516 2HE MET 67 2HE MET 67 -9.930 -12.923 -1.884 517 3HE MET 67 3HE MET 67 -10.120 -13.387 -0.194 518 H ASP 68 H ASP 68 -6.333 -8.996 -4.769 519 HA ASP 68 HA ASP 68 -5.372 -11.407 -3.504 520 1HB ASP 68 1HB ASP 68 -5.093 -10.135 -6.080 521 2HB ASP 68 2HB ASP 68 -3.509 -10.567 -5.442 522 H GLY 69 H GLY 69 -4.560 -8.029 -3.637 523 1HA GLY 69 1HA GLY 69 -2.667 -8.412 -1.470 524 2HA GLY 69 2HA GLY 69 -1.992 -7.758 -2.956 525 H VAL 70 H VAL 70 -5.188 -7.116 -1.544 526 HA VAL 70 HA VAL 70 -4.668 -4.273 -1.724 527 HB VAL 70 HB VAL 70 -7.146 -5.717 -0.761 528 1HG1 VAL 70 1HG1 VAL 70 -7.169 -2.952 -1.858 529 2HG1 VAL 70 2HG1 VAL 70 -6.621 -3.193 -0.200 530 3HG1 VAL 70 3HG1 VAL 70 -8.237 -3.707 -0.675 531 1HG2 VAL 70 1HG2 VAL 70 -6.335 -4.694 -3.472 532 2HG2 VAL 70 2HG2 VAL 70 -8.007 -5.050 -3.042 533 3HG2 VAL 70 3HG2 VAL 70 -6.796 -6.333 -3.020 534 H HIS 71 H HIS 71 -4.169 -2.962 -0.077 535 HA HIS 71 HA HIS 71 -3.767 -4.165 2.550 536 1HB HIS 71 1HB HIS 71 -2.797 -1.619 1.261 537 2HB HIS 71 2HB HIS 71 -2.539 -1.972 2.967 538 HD1 HIS 71 HD1 HIS 71 -2.150 -4.247 -0.067 539 HD2 HIS 71 HD2 HIS 71 0.078 -2.668 3.097 540 HE1 HIS 71 HE1 HIS 71 0.146 -5.316 -0.219 541 HE2 HIS 71 HE2 HIS 71 1.471 -4.330 1.684 542 H LEU 72 H LEU 72 -5.945 -2.103 0.924 543 HA LEU 72 HA LEU 72 -7.463 -1.690 3.343 544 1HB LEU 72 1HB LEU 72 -6.076 0.534 1.897 545 2HB LEU 72 2HB LEU 72 -7.572 0.842 2.754 546 HG LEU 72 HG LEU 72 -5.990 -0.463 4.625 547 1HD1 LEU 72 1HD1 LEU 72 -4.173 0.106 2.785 548 2HD1 LEU 72 2HD1 LEU 72 -3.825 0.240 4.508 549 3HD1 LEU 72 3HD1 LEU 72 -4.227 1.682 3.574 550 1HD2 LEU 72 1HD2 LEU 72 -6.413 1.389 5.847 551 2HD2 LEU 72 2HD2 LEU 72 -7.469 1.792 4.493 552 3HD2 LEU 72 3HD2 LEU 72 -5.848 2.480 4.581 553 H ILE 73 H ILE 73 -9.660 -1.175 2.891 554 HA ILE 73 HA ILE 73 -10.338 -0.847 0.060 555 HB ILE 73 HB ILE 73 -10.825 -3.077 0.051 556 1HG1 ILE 73 1HG1 ILE 73 -13.345 -1.870 1.217 557 2HG1 ILE 73 2HG1 ILE 73 -12.906 -1.931 -0.486 558 1HG2 ILE 73 1HG2 ILE 73 -11.209 -2.783 2.963 559 2HG2 ILE 73 2HG2 ILE 73 -10.236 -3.933 2.059 560 3HG2 ILE 73 3HG2 ILE 73 -11.986 -4.137 2.149 561 1HD1 ILE 73 1HD1 ILE 73 -14.579 -3.589 0.039 562 2HD1 ILE 73 2HD1 ILE 73 -13.535 -4.285 1.280 563 3HD1 ILE 73 3HD1 ILE 73 -13.066 -4.374 -0.418 564 H CYS 74 H CYS 74 -12.210 0.240 -0.408 565 HA CYS 74 HA CYS 74 -13.625 1.442 1.872 566 1HB CYS 74 1HB CYS 74 -12.346 2.752 -0.487 567 2HB CYS 74 2HB CYS 74 -13.829 3.449 0.156 568 HG CYS 74 HG CYS 74 -12.084 3.204 2.475 569 H THR 75 H THR 75 -15.677 0.813 1.825 570 HA THR 75 HA THR 75 -17.109 0.846 -0.730 571 HB THR 75 HB THR 75 -17.518 -1.399 1.241 572 HG1 THR 75 HG1 THR 75 -15.383 -1.505 0.435 573 1HG2 THR 75 1HG2 THR 75 -18.118 -1.290 -1.703 574 2HG2 THR 75 2HG2 THR 75 -19.296 -0.939 -0.439 575 3HG2 THR 75 3HG2 THR 75 -18.577 -2.546 -0.553 576 H THR 76 H THR 76 -19.300 1.327 -0.580 577 HA THR 76 HA THR 76 -20.102 2.456 2.007 578 HB THR 76 HB THR 76 -21.937 3.490 0.423 579 HG1 THR 76 HG1 THR 76 -21.109 3.785 -1.674 580 1HG2 THR 76 1HG2 THR 76 -19.262 4.347 1.114 581 2HG2 THR 76 2HG2 THR 76 -20.770 5.260 1.068 582 3HG2 THR 76 3HG2 THR 76 -19.821 5.048 -0.404 583 H ALA 77 H ALA 77 -20.423 -0.020 2.400 584 HA ALA 77 HA ALA 77 -23.288 -0.503 2.134 585 1HB ALA 77 1HB ALA 77 -21.161 -2.356 1.104 586 2HB ALA 77 2HB ALA 77 -22.576 -1.725 0.260 587 3HB ALA 77 3HB ALA 77 -22.773 -2.926 1.537 588 H ARG 78 H ARG 78 -24.161 -1.427 3.911 589 HA ARG 78 HA ARG 78 -22.597 -1.634 6.265 590 1HB ARG 78 1HB ARG 78 -25.141 -1.120 5.960 591 2HB ARG 78 2HB ARG 78 -25.318 -2.868 6.034 592 1HG ARG 78 1HG ARG 78 -24.181 -2.864 8.218 593 2HG ARG 78 2HG ARG 78 -24.097 -1.104 8.144 594 1HD ARG 78 1HD ARG 78 -26.749 -2.381 7.765 595 2HD ARG 78 2HD ARG 78 -26.065 -2.380 9.390 596 HE ARG 78 HE ARG 78 -27.267 -0.197 8.097 597 1HH1 ARG 78 1HH1 ARG 78 -24.488 -0.944 10.077 598 2HH1 ARG 78 2HH1 ARG 78 -24.378 0.650 10.740 599 1HH2 ARG 78 1HH2 ARG 78 -27.126 1.898 8.978 600 2HH2 ARG 78 2HH2 ARG 78 -25.876 2.262 10.121 601 H VAL 79 H VAL 79 -21.027 -3.175 5.245 602 HA VAL 79 HA VAL 79 -21.797 -5.903 4.879 603 HB VAL 79 HB VAL 79 -19.370 -6.350 4.779 604 1HG1 VAL 79 1HG1 VAL 79 -19.975 -5.839 2.663 605 2HG1 VAL 79 2HG1 VAL 79 -18.984 -4.409 2.954 606 3HG1 VAL 79 3HG1 VAL 79 -20.737 -4.319 3.132 607 1HG2 VAL 79 1HG2 VAL 79 -18.823 -4.585 6.509 608 2HG2 VAL 79 2HG2 VAL 79 -18.968 -3.400 5.211 609 3HG2 VAL 79 3HG2 VAL 79 -17.748 -4.667 5.117 610 H ASP 80 H ASP 80 -20.167 -7.520 6.155 611 HA ASP 80 HA ASP 80 -20.849 -7.124 8.981 612 1HB ASP 80 1HB ASP 80 -20.394 -9.608 9.139 613 2HB ASP 80 2HB ASP 80 -21.768 -9.155 8.133 614 H ARG 81 H ARG 81 -18.185 -7.343 6.806 615 HA ARG 81 HA ARG 81 -15.922 -7.409 7.082 616 1HB ARG 81 1HB ARG 81 -16.799 -5.212 8.238 617 2HB ARG 81 2HB ARG 81 -16.248 -6.010 9.704 618 1HG ARG 81 1HG ARG 81 -14.209 -6.210 7.715 619 2HG ARG 81 2HG ARG 81 -14.733 -4.530 7.846 620 1HD ARG 81 1HD ARG 81 -14.464 -5.714 10.457 621 2HD ARG 81 2HD ARG 81 -12.975 -5.908 9.536 622 HE ARG 81 HE ARG 81 -14.197 -3.396 10.385 623 1HH1 ARG 81 1HH1 ARG 81 -11.646 -5.010 8.622 624 2HH1 ARG 81 2HH1 ARG 81 -10.626 -3.613 8.589 625 1HH2 ARG 81 1HH2 ARG 81 -12.852 -1.560 10.316 626 2HH2 ARG 81 2HH2 ARG 81 -11.309 -1.659 9.534 627 H SER 82 H SER 82 -16.917 -9.799 7.816 628 HA SER 82 HA SER 82 -15.246 -10.508 10.125 629 1HB SER 82 1HB SER 82 -16.881 -11.955 11.025 630 2HB SER 82 2HB SER 82 -17.770 -10.490 10.607 631 HG SER 82 HG SER 82 -18.781 -12.476 9.913 632 H PHE 83 H PHE 83 -15.734 -10.874 6.891 633 HA PHE 83 HA PHE 83 -15.016 -13.694 6.777 634 1HB PHE 83 1HB PHE 83 -15.232 -13.396 4.308 635 2HB PHE 83 2HB PHE 83 -16.701 -13.008 5.197 636 HD1 PHE 83 HD1 PHE 83 -14.120 -11.778 2.997 637 HD2 PHE 83 HD2 PHE 83 -17.343 -10.632 5.526 638 HE1 PHE 83 HE1 PHE 83 -14.192 -9.576 1.902 639 HE2 PHE 83 HE2 PHE 83 -17.420 -8.427 4.438 640 HZ PHE 83 HZ PHE 83 -15.844 -7.897 2.623 641 H GLY 84 H GLY 84 -12.920 -13.877 7.410 642 1HA GLY 84 1HA GLY 84 -10.656 -14.025 6.865 643 2HA GLY 84 2HA GLY 84 -10.924 -12.900 5.542 644 H ASP 85 H ASP 85 -10.018 -10.963 5.779 645 HA ASP 85 HA ASP 85 -10.087 -9.566 8.286 646 1HB ASP 85 1HB ASP 85 -7.957 -11.250 8.028 647 2HB ASP 85 2HB ASP 85 -7.302 -9.766 7.343 648 H ILE 86 H ILE 86 -10.874 -9.279 5.445 649 HA ILE 86 HA ILE 86 -9.277 -7.464 4.065 650 HB ILE 86 HB ILE 86 -11.203 -8.652 3.083 651 1HG1 ILE 86 1HG1 ILE 86 -11.275 -5.642 2.886 652 2HG1 ILE 86 2HG1 ILE 86 -10.294 -6.727 1.912 653 1HG2 ILE 86 1HG2 ILE 86 -12.642 -8.075 5.170 654 2HG2 ILE 86 2HG2 ILE 86 -13.408 -8.196 3.587 655 3HG2 ILE 86 3HG2 ILE 86 -13.037 -6.613 4.266 656 1HD1 ILE 86 1HD1 ILE 86 -12.346 -7.669 0.941 657 2HD1 ILE 86 2HD1 ILE 86 -12.186 -5.937 0.641 658 3HD1 ILE 86 3HD1 ILE 86 -13.297 -6.520 1.882 659 HA PRO 87 HA PRO 87 -9.809 -4.081 7.066 660 1HB PRO 87 1HB PRO 87 -7.915 -2.474 5.941 661 2HB PRO 87 2HB PRO 87 -7.539 -3.783 7.067 662 1HG PRO 87 1HG PRO 87 -7.415 -3.767 4.074 663 2HG PRO 87 2HG PRO 87 -6.248 -4.425 5.238 664 1HD PRO 87 1HD PRO 87 -7.995 -6.011 3.941 665 2HD PRO 87 2HD PRO 87 -7.507 -6.325 5.617 666 H LEU 88 H LEU 88 -11.956 -3.758 6.028 667 HA LEU 88 HA LEU 88 -11.940 -1.745 3.907 668 1HB LEU 88 1HB LEU 88 -14.414 -2.170 3.820 669 2HB LEU 88 2HB LEU 88 -13.378 -3.495 3.335 670 HG LEU 88 HG LEU 88 -13.705 -4.286 5.814 671 1HD1 LEU 88 1HD1 LEU 88 -16.265 -3.654 6.240 672 2HD1 LEU 88 2HD1 LEU 88 -15.731 -2.160 5.469 673 3HD1 LEU 88 3HD1 LEU 88 -14.924 -2.736 6.927 674 1HD2 LEU 88 1HD2 LEU 88 -14.742 -5.006 3.397 675 2HD2 LEU 88 2HD2 LEU 88 -16.197 -4.711 4.342 676 3HD2 LEU 88 3HD2 LEU 88 -15.002 -5.876 4.909 677 H VAL 89 H VAL 89 -13.133 0.144 3.985 678 HA VAL 89 HA VAL 89 -13.944 1.061 6.657 679 HB VAL 89 HB VAL 89 -12.387 2.778 4.727 680 1HG1 VAL 89 1HG1 VAL 89 -12.148 4.279 6.601 681 2HG1 VAL 89 2HG1 VAL 89 -12.982 3.142 7.660 682 3HG1 VAL 89 3HG1 VAL 89 -13.857 3.927 6.344 683 1HG2 VAL 89 1HG2 VAL 89 -10.448 2.459 6.191 684 2HG2 VAL 89 2HG2 VAL 89 -10.961 0.944 5.447 685 3HG2 VAL 89 3HG2 VAL 89 -11.359 1.278 7.133 686 H HIS 90 H HIS 90 -15.593 2.585 6.695 687 HA HIS 90 HA HIS 90 -17.296 2.590 4.370 688 1HB HIS 90 1HB HIS 90 -17.649 2.821 7.168 689 2HB HIS 90 2HB HIS 90 -18.256 4.312 6.458 690 HD1 HIS 90 HD1 HIS 90 -20.720 3.983 6.590 691 HD2 HIS 90 HD2 HIS 90 -18.735 0.702 4.929 692 HE1 HIS 90 HE1 HIS 90 -22.528 2.412 5.761 693 HE2 HIS 90 HE2 HIS 90 -21.298 0.508 4.662 694 H GLY 91 H GLY 91 -17.933 4.354 3.162 695 1HA GLY 91 1HA GLY 91 -16.240 6.752 3.474 696 2HA GLY 91 2HA GLY 91 -16.843 6.158 1.933 697 H MET 92 H MET 92 -19.006 6.078 4.615 698 HA MET 92 HA MET 92 -20.989 7.584 3.397 699 1HB MET 92 1HB MET 92 -21.035 6.030 5.501 700 2HB MET 92 2HB MET 92 -20.742 7.522 6.383 701 1HG MET 92 1HG MET 92 -23.072 7.179 6.393 702 2HG MET 92 2HG MET 92 -22.762 8.475 5.238 703 1HE MET 92 1HE MET 92 -22.405 4.388 3.999 704 2HE MET 92 2HE MET 92 -24.055 4.216 4.599 705 3HE MET 92 3HE MET 92 -22.783 4.804 5.671 706 HA PRO 93 HA PRO 93 -19.460 11.391 5.951 707 1HB PRO 93 1HB PRO 93 -16.903 11.353 6.853 708 2HB PRO 93 2HB PRO 93 -18.268 10.755 7.803 709 1HG PRO 93 1HG PRO 93 -16.271 9.231 6.192 710 2HG PRO 93 2HG PRO 93 -16.950 8.850 7.781 711 1HD PRO 93 1HD PRO 93 -17.787 7.688 5.474 712 2HD PRO 93 2HD PRO 93 -18.841 7.921 6.881 713 H PHE 94 H PHE 94 -16.957 9.725 4.039 714 HA PHE 94 HA PHE 94 -15.700 12.040 3.045 715 1HB PHE 94 1HB PHE 94 -15.228 9.352 2.816 716 2HB PHE 94 2HB PHE 94 -15.784 9.749 1.195 717 HD1 PHE 94 HD1 PHE 94 -14.713 12.468 0.856 718 HD2 PHE 94 HD2 PHE 94 -12.939 9.004 2.583 719 HE1 PHE 94 HE1 PHE 94 -12.480 13.336 0.296 720 HE2 PHE 94 HE2 PHE 94 -10.704 9.868 2.029 721 HZ PHE 94 HZ PHE 94 -10.472 12.036 0.884 722 H VAL 95 H VAL 95 -18.511 10.235 1.953 723 HA VAL 95 HA VAL 95 -18.787 11.620 -0.528 724 HB VAL 95 HB VAL 95 -20.849 10.044 1.020 725 1HG1 VAL 95 1HG1 VAL 95 -20.961 11.522 -1.490 726 2HG1 VAL 95 2HG1 VAL 95 -22.267 10.894 -0.484 727 3HG1 VAL 95 3HG1 VAL 95 -21.464 9.840 -1.648 728 1HG2 VAL 95 1HG2 VAL 95 -19.968 8.621 -1.233 729 2HG2 VAL 95 2HG2 VAL 95 -19.673 8.244 0.464 730 3HG2 VAL 95 3HG2 VAL 95 -18.515 9.224 -0.436 731 H SER 96 H SER 96 -19.668 12.316 2.733 732 HA SER 96 HA SER 96 -21.893 13.953 2.414 733 1HB SER 96 1HB SER 96 -20.394 13.182 4.539 734 2HB SER 96 2HB SER 96 -19.884 14.863 4.389 735 HG SER 96 HG SER 96 -22.615 14.388 4.231 736 H GLY 97 H GLY 97 -18.474 14.672 1.989 737 1HA GLY 97 1HA GLY 97 -17.513 16.354 0.702 738 2HA GLY 97 2HA GLY 97 -19.123 16.961 0.357 739 H VAL 98 H VAL 98 -19.118 16.694 3.599 740 HA VAL 98 HA VAL 98 -18.256 19.484 3.940 741 HB VAL 98 HB VAL 98 -20.033 17.958 5.833 742 1HG1 VAL 98 1HG1 VAL 98 -20.600 20.735 5.688 743 2HG1 VAL 98 2HG1 VAL 98 -18.853 20.543 5.844 744 3HG1 VAL 98 3HG1 VAL 98 -19.929 19.818 7.038 745 1HG2 VAL 98 1HG2 VAL 98 -21.351 17.833 3.942 746 2HG2 VAL 98 2HG2 VAL 98 -20.733 19.346 3.281 747 3HG2 VAL 98 3HG2 VAL 98 -21.865 19.373 4.633 748 H GLY 99 H GLY 99 -17.989 16.234 5.256 749 1HA GLY 99 1HA GLY 99 -16.015 17.211 7.213 750 2HA GLY 99 2HA GLY 99 -16.879 15.684 7.324 751 H ILE 100 H ILE 100 -15.689 16.515 4.215 752 HA ILE 100 HA ILE 100 -14.075 14.221 4.023 753 HB ILE 100 HB ILE 100 -13.261 15.179 1.906 754 1HG1 ILE 100 1HG1 ILE 100 -14.692 17.634 2.924 755 2HG1 ILE 100 2HG1 ILE 100 -13.018 17.494 2.403 756 1HG2 ILE 100 1HG2 ILE 100 -15.667 14.192 2.399 757 2HG2 ILE 100 2HG2 ILE 100 -15.223 14.802 0.805 758 3HG2 ILE 100 3HG2 ILE 100 -16.161 15.811 1.906 759 1HD1 ILE 100 1HD1 ILE 100 -14.318 18.687 0.759 760 2HD1 ILE 100 2HD1 ILE 100 -15.453 17.342 0.642 761 3HD1 ILE 100 3HD1 ILE 100 -13.787 17.141 0.098 762 H GLU 101 H GLU 101 -13.285 17.626 4.599 763 HA GLU 101 HA GLU 101 -10.518 17.485 4.499 764 1HB GLU 101 1HB GLU 101 -12.443 19.382 5.261 765 2HB GLU 101 2HB GLU 101 -11.380 19.216 6.650 766 1HG GLU 101 1HG GLU 101 -9.478 19.829 5.380 767 2HG GLU 101 2HG GLU 101 -10.368 19.702 3.864 768 H ALA 102 H ALA 102 -12.609 17.129 7.368 769 HA ALA 102 HA ALA 102 -10.507 16.463 9.138 770 1HB ALA 102 1HB ALA 102 -12.107 16.348 10.734 771 2HB ALA 102 2HB ALA 102 -13.203 15.406 9.723 772 3HB ALA 102 3HB ALA 102 -13.074 17.151 9.497 773 H LEU 103 H LEU 103 -12.764 14.489 7.247 774 HA LEU 103 HA LEU 103 -11.989 11.992 8.276 775 1HB LEU 103 1HB LEU 103 -14.012 12.125 7.035 776 2HB LEU 103 2HB LEU 103 -13.192 12.798 5.638 777 HG LEU 103 HG LEU 103 -12.195 10.712 5.089 778 1HD1 LEU 103 1HD1 LEU 103 -11.631 10.070 7.420 779 2HD1 LEU 103 2HD1 LEU 103 -12.298 8.747 6.462 780 3HD1 LEU 103 3HD1 LEU 103 -13.309 9.575 7.646 781 1HD2 LEU 103 1HD2 LEU 103 -14.926 11.081 5.129 782 2HD2 LEU 103 2HD2 LEU 103 -14.708 9.477 5.832 783 3HD2 LEU 103 3HD2 LEU 103 -14.051 9.835 4.238 784 H GLN 104 H GLN 104 -11.035 13.548 5.212 785 HA GLN 104 HA GLN 104 -9.219 11.720 4.302 786 1HB GLN 104 1HB GLN 104 -9.894 13.734 3.064 787 2HB GLN 104 2HB GLN 104 -8.947 14.728 4.162 788 1HG GLN 104 1HG GLN 104 -7.849 14.276 1.988 789 2HG GLN 104 2HG GLN 104 -6.909 13.769 3.391 790 1HE2 GLN 104 1HE2 GLN 104 -8.322 12.828 0.465 791 2HE2 GLN 104 2HE2 GLN 104 -7.978 11.139 0.565 792 H ASN 105 H ASN 105 -8.622 14.324 6.633 793 HA ASN 105 HA ASN 105 -5.875 13.964 6.945 794 1HB ASN 105 1HB ASN 105 -7.750 15.643 8.021 795 2HB ASN 105 2HB ASN 105 -7.326 14.648 9.411 796 1HD2 ASN 105 1HD2 ASN 105 -5.449 15.893 6.675 797 2HD2 ASN 105 2HD2 ASN 105 -4.260 16.698 7.634 798 H LYS 106 H LYS 106 -8.552 12.543 8.812 799 HA LYS 106 HA LYS 106 -6.996 11.022 10.564 800 1HB LYS 106 1HB LYS 106 -9.682 11.437 10.216 801 2HB LYS 106 2HB LYS 106 -9.516 9.753 9.737 802 1HG LYS 106 1HG LYS 106 -8.394 9.289 11.890 803 2HG LYS 106 2HG LYS 106 -8.687 10.962 12.367 804 1HD LYS 106 1HD LYS 106 -10.606 10.197 13.233 805 2HD LYS 106 2HD LYS 106 -11.174 10.130 11.565 806 1HE LYS 106 1HE LYS 106 -9.664 7.773 12.119 807 2HE LYS 106 2HE LYS 106 -10.851 8.001 13.402 808 1HZ LYS 106 1HZ LYS 106 -11.310 6.918 10.929 809 2HZ LYS 106 2HZ LYS 106 -11.980 8.468 10.825 810 3HZ LYS 106 3HZ LYS 106 -12.485 7.407 12.043 811 H ILE 107 H ILE 107 -8.249 10.242 7.343 812 HA ILE 107 HA ILE 107 -7.440 7.545 7.316 813 HB ILE 107 HB ILE 107 -7.667 9.352 4.912 814 1HG1 ILE 107 1HG1 ILE 107 -9.715 9.488 6.227 815 2HG1 ILE 107 2HG1 ILE 107 -10.004 8.549 4.769 816 1HG2 ILE 107 1HG2 ILE 107 -8.090 6.377 5.120 817 2HG2 ILE 107 2HG2 ILE 107 -6.571 7.119 4.623 818 3HG2 ILE 107 3HG2 ILE 107 -8.024 7.357 3.654 819 1HD1 ILE 107 1HD1 ILE 107 -10.779 6.894 6.003 820 2HD1 ILE 107 2HD1 ILE 107 -10.459 7.826 7.466 821 3HD1 ILE 107 3HD1 ILE 107 -9.218 6.758 6.811 822 H LEU 108 H LEU 108 -5.764 10.528 6.539 823 HA LEU 108 HA LEU 108 -3.511 9.368 5.286 824 1HB LEU 108 1HB LEU 108 -4.067 12.002 6.577 825 2HB LEU 108 2HB LEU 108 -2.427 11.590 6.118 826 HG LEU 108 HG LEU 108 -4.756 11.614 4.200 827 1HD1 LEU 108 1HD1 LEU 108 -3.967 13.835 5.323 828 2HD1 LEU 108 2HD1 LEU 108 -4.240 13.765 3.584 829 3HD1 LEU 108 3HD1 LEU 108 -2.598 13.673 4.223 830 1HD2 LEU 108 1HD2 LEU 108 -2.205 10.471 4.005 831 2HD2 LEU 108 2HD2 LEU 108 -2.136 11.959 3.060 832 3HD2 LEU 108 3HD2 LEU 108 -3.362 10.743 2.704 833 H THR 109 H THR 109 -4.164 10.323 8.624 834 HA THR 109 HA THR 109 -1.627 9.789 9.670 835 HB THR 109 HB THR 109 -3.519 9.211 11.685 836 HG1 THR 109 HG1 THR 109 -4.343 11.490 10.238 837 1HG2 THR 109 1HG2 THR 109 -1.687 11.394 11.001 838 2HG2 THR 109 2HG2 THR 109 -1.948 10.559 12.532 839 3HG2 THR 109 3HG2 THR 109 -3.048 11.843 12.029 840 H ILE 110 H ILE 110 -4.468 7.692 9.338 841 HA ILE 110 HA ILE 110 -3.431 5.482 10.720 842 HB ILE 110 HB ILE 110 -5.343 5.329 8.394 843 1HG1 ILE 110 1HG1 ILE 110 -6.380 5.414 11.167 844 2HG1 ILE 110 2HG1 ILE 110 -5.757 6.934 10.538 845 1HG2 ILE 110 1HG2 ILE 110 -4.277 3.417 10.268 846 2HG2 ILE 110 2HG2 ILE 110 -5.283 3.153 8.845 847 3HG2 ILE 110 3HG2 ILE 110 -6.033 3.515 10.399 848 1HD1 ILE 110 1HD1 ILE 110 -7.846 7.179 9.777 849 2HD1 ILE 110 2HD1 ILE 110 -8.181 5.448 9.834 850 3HD1 ILE 110 3HD1 ILE 110 -7.293 6.129 8.472 851 H LEU 111 H LEU 111 -3.381 6.221 7.224 852 HA LEU 111 HA LEU 111 -2.039 3.868 6.486 853 1HB LEU 111 1HB LEU 111 -1.817 4.762 4.359 854 2HB LEU 111 2HB LEU 111 -3.257 5.534 4.987 855 HG LEU 111 HG LEU 111 -1.453 7.409 5.641 856 1HD1 LEU 111 1HD1 LEU 111 0.199 5.752 4.360 857 2HD1 LEU 111 2HD1 LEU 111 0.385 7.504 4.330 858 3HD1 LEU 111 3HD1 LEU 111 -0.393 6.681 2.982 859 1HD2 LEU 111 1HD2 LEU 111 -2.952 6.945 3.083 860 2HD2 LEU 111 2HD2 LEU 111 -2.038 8.427 3.367 861 3HD2 LEU 111 3HD2 LEU 111 -3.374 7.996 4.433 862 H GLN 112 H GLN 112 -0.865 6.837 7.865 863 HA GLN 112 HA GLN 112 1.915 6.034 7.373 864 1HB GLN 112 1HB GLN 112 0.824 8.570 8.608 865 2HB GLN 112 2HB GLN 112 2.520 8.237 8.289 866 1HG GLN 112 1HG GLN 112 0.623 8.057 6.024 867 2HG GLN 112 2HG GLN 112 1.029 9.656 6.641 868 1HE2 GLN 112 1HE2 GLN 112 2.317 6.722 5.231 869 2HE2 GLN 112 2HE2 GLN 112 3.785 7.416 4.643 870 H GLY 113 H GLY 113 -0.426 5.429 9.615 871 1HA GLY 113 1HA GLY 113 0.057 4.077 11.529 872 2HA GLY 113 2HA GLY 113 1.603 4.899 11.675 Start of MODEL 10 1 1H MET 1 1H MET 1 10.983 -13.552 -14.359 2 2H MET 1 2H MET 1 11.268 -12.256 -13.275 3 3H MET 1 3H MET 1 11.763 -13.845 -12.864 4 HA MET 1 HA MET 1 13.688 -13.509 -13.750 5 1HB MET 1 1HB MET 1 13.869 -13.206 -16.182 6 2HB MET 1 2HB MET 1 12.666 -14.420 -15.771 7 1HG MET 1 1HG MET 1 11.572 -11.728 -16.043 8 2HG MET 1 2HG MET 1 12.315 -12.350 -17.514 9 1HE MET 1 1HE MET 1 9.120 -13.204 -14.928 10 2HE MET 1 2HE MET 1 8.214 -12.798 -16.384 11 3HE MET 1 3HE MET 1 9.472 -11.710 -15.797 12 H GLY 2 H GLY 2 15.261 -11.949 -13.917 13 1HA GLY 2 1HA GLY 2 15.823 -9.647 -14.674 14 2HA GLY 2 2HA GLY 2 14.292 -9.155 -13.961 15 H SER 3 H SER 3 17.549 -10.273 -13.290 16 HA SER 3 HA SER 3 17.478 -10.396 -10.519 17 1HB SER 3 1HB SER 3 19.406 -10.828 -12.326 18 2HB SER 3 2HB SER 3 19.915 -9.234 -11.770 19 HG SER 3 HG SER 3 20.446 -11.472 -10.612 20 H SER 4 H SER 4 18.424 -7.611 -12.533 21 HA SER 4 HA SER 4 18.084 -5.875 -10.194 22 1HB SER 4 1HB SER 4 20.002 -5.948 -12.273 23 2HB SER 4 2HB SER 4 19.065 -4.472 -12.506 24 HG SER 4 HG SER 4 20.997 -4.839 -10.799 25 H HIS 5 H HIS 5 16.269 -4.759 -9.989 26 HA HIS 5 HA HIS 5 14.970 -3.615 -12.318 27 1HB HIS 5 1HB HIS 5 13.937 -5.965 -10.915 28 2HB HIS 5 2HB HIS 5 12.774 -4.645 -10.992 29 HD1 HIS 5 HD1 HIS 5 14.812 -4.365 -13.915 30 HD2 HIS 5 HD2 HIS 5 11.610 -6.792 -12.764 31 HE1 HIS 5 HE1 HIS 5 13.838 -5.309 -16.058 32 HE2 HIS 5 HE2 HIS 5 11.861 -6.696 -15.338 33 H HIS 6 H HIS 6 14.126 -4.291 -8.917 34 HA HIS 6 HA HIS 6 13.758 -1.390 -8.545 35 1HB HIS 6 1HB HIS 6 12.213 -3.737 -7.489 36 2HB HIS 6 2HB HIS 6 12.217 -2.211 -6.611 37 HD1 HIS 6 HD1 HIS 6 11.808 -3.068 -10.314 38 HD2 HIS 6 HD2 HIS 6 9.960 -0.892 -7.262 39 HE1 HIS 6 HE1 HIS 6 9.799 -1.938 -11.372 40 HE2 HIS 6 HE2 HIS 6 8.662 -0.702 -9.492 41 H HIS 7 H HIS 7 15.865 -1.011 -7.842 42 HA HIS 7 HA HIS 7 17.153 -2.523 -5.826 43 1HB HIS 7 1HB HIS 7 17.852 -0.430 -7.541 44 2HB HIS 7 2HB HIS 7 18.028 0.246 -5.925 45 HD1 HIS 7 HD1 HIS 7 18.908 -2.634 -4.705 46 HD2 HIS 7 HD2 HIS 7 20.627 -0.557 -7.900 47 HE1 HIS 7 HE1 HIS 7 21.291 -3.481 -4.896 48 HE2 HIS 7 HE2 HIS 7 22.324 -2.151 -6.771 49 H HIS 8 H HIS 8 15.470 -2.718 -4.231 50 HA HIS 8 HA HIS 8 14.272 -0.562 -2.908 51 1HB HIS 8 1HB HIS 8 14.874 -3.369 -1.975 52 2HB HIS 8 2HB HIS 8 13.940 -2.217 -1.029 53 HD1 HIS 8 HD1 HIS 8 13.822 -3.833 -4.483 54 HD2 HIS 8 HD2 HIS 8 11.289 -2.320 -1.523 55 HE1 HIS 8 HE1 HIS 8 11.458 -4.336 -5.253 56 HE2 HIS 8 HE2 HIS 8 9.962 -3.494 -3.407 57 H HIS 9 H HIS 9 14.643 0.145 -0.680 58 HA HIS 9 HA HIS 9 17.512 0.473 -0.175 59 1HB HIS 9 1HB HIS 9 16.006 2.485 -0.482 60 2HB HIS 9 2HB HIS 9 15.246 2.053 1.044 61 HD1 HIS 9 HD1 HIS 9 17.568 1.455 2.846 62 HD2 HIS 9 HD2 HIS 9 17.584 4.596 0.087 63 HE1 HIS 9 HE1 HIS 9 19.279 3.127 3.690 64 HE2 HIS 9 HE2 HIS 9 19.204 5.043 2.054 65 H HIS 10 H HIS 10 17.403 -1.807 0.713 66 HA HIS 10 HA HIS 10 17.531 -3.223 2.496 67 1HB HIS 10 1HB HIS 10 18.557 -0.928 3.390 68 2HB HIS 10 2HB HIS 10 17.156 -0.999 4.449 69 HD1 HIS 10 HD1 HIS 10 20.058 -1.168 5.520 70 HD2 HIS 10 HD2 HIS 10 17.651 -4.471 4.662 71 HE1 HIS 10 HE1 HIS 10 20.954 -3.080 6.923 72 HE2 HIS 10 HE2 HIS 10 19.365 -4.992 6.519 73 H HIS 11 H HIS 11 16.265 -4.181 4.256 74 HA HIS 11 HA HIS 11 14.333 -4.911 5.185 75 1HB HIS 11 1HB HIS 11 13.352 -2.088 4.700 76 2HB HIS 11 2HB HIS 11 12.636 -3.266 5.796 77 HD1 HIS 11 HD1 HIS 11 13.358 -0.715 7.090 78 HD2 HIS 11 HD2 HIS 11 16.138 -3.797 6.589 79 HE1 HIS 11 HE1 HIS 11 15.171 -0.318 8.818 80 HE2 HIS 11 HE2 HIS 11 16.869 -2.141 8.437 81 H HIS 12 H HIS 12 14.845 -5.081 2.351 82 HA HIS 12 HA HIS 12 12.135 -5.034 1.232 83 1HB HIS 12 1HB HIS 12 13.224 -5.198 -0.966 84 2HB HIS 12 2HB HIS 12 13.795 -3.805 -0.058 85 HD1 HIS 12 HD1 HIS 12 15.866 -5.510 1.704 86 HD2 HIS 12 HD2 HIS 12 15.550 -5.453 -2.462 87 HE1 HIS 12 HE1 HIS 12 18.138 -6.198 0.816 88 HE2 HIS 12 HE2 HIS 12 17.953 -6.017 -1.690 89 H GLU 13 H GLU 13 12.040 -6.850 -0.610 90 HA GLU 13 HA GLU 13 11.713 -9.059 -1.026 91 1HB GLU 13 1HB GLU 13 14.305 -8.897 -0.764 92 2HB GLU 13 2HB GLU 13 14.029 -9.737 0.756 93 1HG GLU 13 1HG GLU 13 12.578 -11.225 -1.036 94 2HG GLU 13 2HG GLU 13 13.991 -10.741 -1.972 95 H ASN 14 H ASN 14 9.819 -9.544 -0.040 96 HA ASN 14 HA ASN 14 9.993 -10.895 2.538 97 1HB ASN 14 1HB ASN 14 9.421 -8.517 3.021 98 2HB ASN 14 2HB ASN 14 7.975 -8.698 2.036 99 1HD2 ASN 14 1HD2 ASN 14 6.709 -8.174 3.846 100 2HD2 ASN 14 2HD2 ASN 14 6.406 -9.330 5.095 101 H LEU 15 H LEU 15 7.298 -9.704 0.534 102 HA LEU 15 HA LEU 15 6.502 -12.509 0.107 103 1HB LEU 15 1HB LEU 15 5.042 -10.329 1.318 104 2HB LEU 15 2HB LEU 15 4.193 -10.928 -0.094 105 HG LEU 15 HG LEU 15 4.531 -13.267 0.965 106 1HD1 LEU 15 1HD1 LEU 15 5.319 -11.432 3.170 107 2HD1 LEU 15 2HD1 LEU 15 5.951 -13.022 2.741 108 3HD1 LEU 15 3HD1 LEU 15 4.395 -12.883 3.559 109 1HD2 LEU 15 1HD2 LEU 15 2.436 -13.108 2.044 110 2HD2 LEU 15 2HD2 LEU 15 2.397 -11.929 0.734 111 3HD2 LEU 15 3HD2 LEU 15 2.660 -11.394 2.393 112 H TYR 16 H TYR 16 5.101 -12.822 -1.815 113 HA TYR 16 HA TYR 16 6.229 -11.393 -4.064 114 1HB TYR 16 1HB TYR 16 4.792 -13.930 -3.645 115 2HB TYR 16 2HB TYR 16 4.419 -13.116 -5.160 116 HD1 TYR 16 HD1 TYR 16 6.580 -15.390 -3.602 117 HD2 TYR 16 HD2 TYR 16 6.554 -12.263 -6.488 118 HE1 TYR 16 HE1 TYR 16 8.649 -16.287 -4.585 119 HE2 TYR 16 HE2 TYR 16 8.621 -13.152 -7.480 120 HH TYR 16 HH TYR 16 10.238 -16.011 -6.125 121 H PHE 17 H PHE 17 5.307 -9.332 -3.866 122 HA PHE 17 HA PHE 17 2.404 -9.102 -3.992 123 1HB PHE 17 1HB PHE 17 4.592 -7.033 -3.740 124 2HB PHE 17 2HB PHE 17 2.880 -6.637 -3.848 125 HD1 PHE 17 HD1 PHE 17 5.569 -7.612 -1.701 126 HD2 PHE 17 HD2 PHE 17 1.329 -7.517 -2.060 127 HE1 PHE 17 HE1 PHE 17 5.361 -7.877 0.736 128 HE2 PHE 17 HE2 PHE 17 1.114 -7.781 0.377 129 HZ PHE 17 HZ PHE 17 3.131 -7.961 1.779 130 H GLN 18 H GLN 18 5.189 -7.828 -5.821 131 HA GLN 18 HA GLN 18 5.487 -7.455 -8.048 132 1HB GLN 18 1HB GLN 18 3.962 -9.675 -8.055 133 2HB GLN 18 2HB GLN 18 2.860 -8.566 -8.857 134 1HG GLN 18 1HG GLN 18 5.035 -8.027 -10.274 135 2HG GLN 18 2HG GLN 18 5.452 -9.664 -9.772 136 1HE2 GLN 18 1HE2 GLN 18 2.362 -8.163 -10.654 137 2HE2 GLN 18 2HE2 GLN 18 1.988 -9.275 -11.922 138 H GLY 19 H GLY 19 4.519 -5.419 -6.517 139 1HA GLY 19 1HA GLY 19 2.952 -3.938 -8.498 140 2HA GLY 19 2HA GLY 19 2.309 -4.036 -6.865 141 H SER 20 H SER 20 3.405 -2.976 -5.163 142 HA SER 20 HA SER 20 5.772 -1.439 -5.636 143 1HB SER 20 1HB SER 20 3.717 0.481 -4.887 144 2HB SER 20 2HB SER 20 4.936 0.582 -6.157 145 HG SER 20 HG SER 20 3.568 -0.377 -7.563 146 H LYS 21 H LYS 21 2.830 -1.208 -3.637 147 HA LYS 21 HA LYS 21 4.264 -2.051 -1.288 148 1HB LYS 21 1HB LYS 21 4.349 0.662 -1.834 149 2HB LYS 21 2HB LYS 21 3.011 0.525 -0.703 150 1HG LYS 21 1HG LYS 21 5.238 -1.043 0.210 151 2HG LYS 21 2HG LYS 21 5.745 0.615 -0.119 152 1HD LYS 21 1HD LYS 21 3.239 0.101 1.432 153 2HD LYS 21 2HD LYS 21 4.806 -0.022 2.231 154 1HE LYS 21 1HE LYS 21 5.166 2.319 1.023 155 2HE LYS 21 2HE LYS 21 3.410 2.359 1.130 156 1HZ LYS 21 1HZ LYS 21 3.676 3.074 3.197 157 2HZ LYS 21 2HZ LYS 21 5.341 2.782 3.171 158 3HZ LYS 21 3HZ LYS 21 4.274 1.546 3.612 159 H ARG 22 H ARG 22 1.431 0.080 -1.662 160 HA ARG 22 HA ARG 22 -0.239 -2.130 -0.658 161 1HB ARG 22 1HB ARG 22 -0.721 0.773 -0.018 162 2HB ARG 22 2HB ARG 22 -1.444 -0.636 0.737 163 1HG ARG 22 1HG ARG 22 0.130 -0.627 2.287 164 2HG ARG 22 2HG ARG 22 1.370 -0.819 1.050 165 1HD ARG 22 1HD ARG 22 1.785 1.444 0.927 166 2HD ARG 22 2HD ARG 22 0.193 1.877 1.536 167 HE ARG 22 HE ARG 22 2.481 0.984 3.146 168 1HH1 ARG 22 1HH1 ARG 22 -0.741 2.336 2.973 169 2HH1 ARG 22 2HH1 ARG 22 -0.743 2.841 4.628 170 1HH2 ARG 22 1HH2 ARG 22 2.457 1.640 5.321 171 2HH2 ARG 22 2HH2 ARG 22 1.064 2.449 5.956 172 H LYS 23 H LYS 23 -2.491 -2.032 -1.247 173 HA LYS 23 HA LYS 23 -3.117 -0.293 -3.520 174 1HB LYS 23 1HB LYS 23 -2.810 -3.210 -3.568 175 2HB LYS 23 2HB LYS 23 -4.323 -2.642 -4.264 176 1HG LYS 23 1HG LYS 23 -2.337 -0.957 -5.284 177 2HG LYS 23 2HG LYS 23 -1.675 -2.589 -5.362 178 1HD LYS 23 1HD LYS 23 -4.353 -2.771 -6.219 179 2HD LYS 23 2HD LYS 23 -3.664 -1.364 -7.030 180 1HE LYS 23 1HE LYS 23 -3.213 -3.166 -8.459 181 2HE LYS 23 2HE LYS 23 -1.696 -2.873 -7.610 182 1HZ LYS 23 1HZ LYS 23 -3.682 -4.930 -6.818 183 2HZ LYS 23 2HZ LYS 23 -2.142 -4.700 -6.159 184 3HZ LYS 23 3HZ LYS 23 -2.306 -5.244 -7.752 185 H ILE 24 H ILE 24 -5.042 0.656 -3.292 186 HA ILE 24 HA ILE 24 -6.943 -0.500 -1.372 187 HB ILE 24 HB ILE 24 -7.031 2.333 -2.347 188 1HG1 ILE 24 1HG1 ILE 24 -5.503 1.420 0.092 189 2HG1 ILE 24 2HG1 ILE 24 -4.738 1.793 -1.446 190 1HG2 ILE 24 1HG2 ILE 24 -8.125 2.705 -0.178 191 2HG2 ILE 24 2HG2 ILE 24 -7.963 0.989 0.181 192 3HG2 ILE 24 3HG2 ILE 24 -8.972 1.515 -1.164 193 1HD1 ILE 24 1HD1 ILE 24 -4.971 4.014 -1.178 194 2HD1 ILE 24 2HD1 ILE 24 -5.011 3.570 0.527 195 3HD1 ILE 24 3HD1 ILE 24 -6.516 3.866 -0.342 196 H ILE 25 H ILE 25 -9.210 -0.526 -1.888 197 HA ILE 25 HA ILE 25 -9.769 -0.170 -4.760 198 HB ILE 25 HB ILE 25 -11.338 -2.037 -3.009 199 1HG1 ILE 25 1HG1 ILE 25 -8.721 -2.558 -4.390 200 2HG1 ILE 25 2HG1 ILE 25 -9.247 -3.053 -2.791 201 1HG2 ILE 25 1HG2 ILE 25 -11.425 -1.164 -5.745 202 2HG2 ILE 25 2HG2 ILE 25 -12.582 -2.138 -4.839 203 3HG2 ILE 25 3HG2 ILE 25 -11.236 -2.914 -5.667 204 1HD1 ILE 25 1HD1 ILE 25 -9.579 -5.054 -3.699 205 2HD1 ILE 25 2HD1 ILE 25 -9.497 -4.418 -5.340 206 3HD1 ILE 25 3HD1 ILE 25 -11.014 -4.352 -4.442 207 H VAL 26 H VAL 26 -11.723 0.806 -5.323 208 HA VAL 26 HA VAL 26 -13.327 1.856 -3.083 209 HB VAL 26 HB VAL 26 -13.797 3.859 -4.636 210 1HG1 VAL 26 1HG1 VAL 26 -12.168 3.523 -2.509 211 2HG1 VAL 26 2HG1 VAL 26 -12.443 5.069 -3.312 212 3HG1 VAL 26 3HG1 VAL 26 -11.019 4.108 -3.712 213 1HG2 VAL 26 1HG2 VAL 26 -12.223 4.440 -6.264 214 2HG2 VAL 26 2HG2 VAL 26 -12.536 2.728 -6.546 215 3HG2 VAL 26 3HG2 VAL 26 -11.069 3.229 -5.707 216 H ALA 27 H ALA 27 -15.298 1.019 -3.184 217 HA ALA 27 HA ALA 27 -16.390 0.379 -5.832 218 1HB ALA 27 1HB ALA 27 -17.921 -0.866 -3.791 219 2HB ALA 27 2HB ALA 27 -16.212 -1.159 -3.467 220 3HB ALA 27 3HB ALA 27 -16.902 -1.611 -5.021 221 H CYS 28 H CYS 28 -17.989 1.529 -6.588 222 HA CYS 28 HA CYS 28 -19.898 2.763 -4.737 223 1HB CYS 28 1HB CYS 28 -17.908 4.169 -6.246 224 2HB CYS 28 2HB CYS 28 -19.501 4.603 -6.857 225 HG CYS 28 HG CYS 28 -20.116 5.482 -4.496 226 H GLY 29 H GLY 29 -19.219 2.699 -8.239 227 1HA GLY 29 1HA GLY 29 -20.505 1.572 -9.867 228 2HA GLY 29 2HA GLY 29 -21.792 1.380 -8.685 229 H GLY 30 H GLY 30 -21.529 2.574 -11.517 230 1HA GLY 30 1HA GLY 30 -23.002 4.072 -12.549 231 2HA GLY 30 2HA GLY 30 -23.340 4.787 -10.981 232 H ALA 31 H ALA 31 -21.009 5.639 -10.041 233 HA ALA 31 HA ALA 31 -19.413 7.256 -10.173 234 1HB ALA 31 1HB ALA 31 -18.183 7.575 -12.220 235 2HB ALA 31 2HB ALA 31 -19.443 6.760 -13.146 236 3HB ALA 31 3HB ALA 31 -18.481 5.853 -11.979 237 H VAL 32 H VAL 32 -21.096 8.701 -9.490 238 HA VAL 32 HA VAL 32 -21.822 10.651 -11.577 239 HB VAL 32 HB VAL 32 -23.872 11.164 -10.303 240 1HG1 VAL 32 1HG1 VAL 32 -23.332 8.582 -11.603 241 2HG1 VAL 32 2HG1 VAL 32 -24.553 9.803 -11.962 242 3HG1 VAL 32 3HG1 VAL 32 -24.814 8.654 -10.650 243 1HG2 VAL 32 1HG2 VAL 32 -22.655 9.296 -8.410 244 2HG2 VAL 32 2HG2 VAL 32 -24.362 8.982 -8.724 245 3HG2 VAL 32 3HG2 VAL 32 -23.850 10.566 -8.142 246 H ALA 33 H ALA 33 -19.750 11.604 -10.912 247 HA ALA 33 HA ALA 33 -18.675 13.392 -9.994 248 1HB ALA 33 1HB ALA 33 -19.838 14.771 -8.244 249 2HB ALA 33 2HB ALA 33 -21.222 13.697 -8.416 250 3HB ALA 33 3HB ALA 33 -20.672 14.652 -9.791 251 H THR 34 H THR 34 -20.063 10.930 -7.936 252 HA THR 34 HA THR 34 -18.515 11.430 -5.626 253 HB THR 34 HB THR 34 -19.093 9.076 -5.018 254 HG1 THR 34 HG1 THR 34 -19.846 9.038 -7.690 255 1HG2 THR 34 1HG2 THR 34 -21.375 9.411 -4.664 256 2HG2 THR 34 2HG2 THR 34 -21.536 10.431 -6.094 257 3HG2 THR 34 3HG2 THR 34 -20.674 11.029 -4.676 258 H SER 35 H SER 35 -18.031 9.288 -8.413 259 HA SER 35 HA SER 35 -15.617 8.147 -7.453 260 1HB SER 35 1HB SER 35 -15.338 7.272 -9.707 261 2HB SER 35 2HB SER 35 -17.024 7.100 -9.217 262 HG SER 35 HG SER 35 -17.392 9.107 -10.385 263 H THR 36 H THR 36 -16.231 10.656 -9.914 264 HA THR 36 HA THR 36 -13.581 11.278 -10.465 265 HB THR 36 HB THR 36 -15.718 13.390 -10.405 266 HG1 THR 36 HG1 THR 36 -16.244 12.518 -12.553 267 1HG2 THR 36 1HG2 THR 36 -14.646 14.337 -12.219 268 2HG2 THR 36 2HG2 THR 36 -13.793 12.847 -12.622 269 3HG2 THR 36 3HG2 THR 36 -13.307 13.787 -11.211 270 H MET 37 H MET 37 -15.622 12.257 -7.786 271 HA MET 37 HA MET 37 -13.848 14.301 -6.849 272 1HB MET 37 1HB MET 37 -16.422 13.245 -6.086 273 2HB MET 37 2HB MET 37 -15.389 13.385 -4.675 274 1HG MET 37 1HG MET 37 -14.989 15.767 -6.006 275 2HG MET 37 2HG MET 37 -16.708 15.444 -6.228 276 1HE MET 37 1HE MET 37 -15.128 17.827 -3.225 277 2HE MET 37 2HE MET 37 -14.317 17.137 -4.631 278 3HE MET 37 3HE MET 37 -14.059 16.439 -3.032 279 H ALA 38 H ALA 38 -14.599 10.995 -5.746 280 HA ALA 38 HA ALA 38 -12.717 10.878 -3.688 281 1HB ALA 38 1HB ALA 38 -12.832 8.328 -4.256 282 2HB ALA 38 2HB ALA 38 -14.137 8.834 -5.330 283 3HB ALA 38 3HB ALA 38 -14.241 9.160 -3.600 284 H ALA 39 H ALA 39 -12.439 9.527 -6.984 285 HA ALA 39 HA ALA 39 -9.833 8.674 -6.880 286 1HB ALA 39 1HB ALA 39 -11.176 8.164 -8.782 287 2HB ALA 39 2HB ALA 39 -9.774 9.072 -9.345 288 3HB ALA 39 3HB ALA 39 -11.340 9.869 -9.196 289 H GLU 40 H GLU 40 -10.882 11.872 -8.111 290 HA GLU 40 HA GLU 40 -8.328 12.934 -8.427 291 1HB GLU 40 1HB GLU 40 -11.049 13.973 -8.366 292 2HB GLU 40 2HB GLU 40 -9.886 15.121 -7.726 293 1HG GLU 40 1HG GLU 40 -8.639 15.111 -9.748 294 2HG GLU 40 2HG GLU 40 -9.565 13.751 -10.382 295 H GLU 41 H GLU 41 -10.467 13.004 -5.591 296 HA GLU 41 HA GLU 41 -8.822 14.648 -3.995 297 1HB GLU 41 1HB GLU 41 -11.250 13.161 -3.652 298 2HB GLU 41 2HB GLU 41 -10.191 12.843 -2.292 299 1HG GLU 41 1HG GLU 41 -10.212 15.650 -2.896 300 2HG GLU 41 2HG GLU 41 -11.857 15.048 -2.686 301 H ILE 42 H ILE 42 -9.186 11.101 -4.008 302 HA ILE 42 HA ILE 42 -7.173 10.600 -2.117 303 HB ILE 42 HB ILE 42 -8.007 8.745 -4.343 304 1HG1 ILE 42 1HG1 ILE 42 -9.931 9.686 -2.993 305 2HG1 ILE 42 2HG1 ILE 42 -9.773 7.938 -2.955 306 1HG2 ILE 42 1HG2 ILE 42 -6.968 8.115 -1.587 307 2HG2 ILE 42 2HG2 ILE 42 -5.977 8.136 -3.045 308 3HG2 ILE 42 3HG2 ILE 42 -7.294 6.974 -2.890 309 1HD1 ILE 42 1HD1 ILE 42 -10.240 9.322 -0.784 310 2HD1 ILE 42 2HD1 ILE 42 -8.488 9.525 -0.800 311 3HD1 ILE 42 3HD1 ILE 42 -9.188 7.907 -0.754 312 H LYS 43 H LYS 43 -7.058 10.906 -5.640 313 HA LYS 43 HA LYS 43 -4.427 9.996 -6.014 314 1HB LYS 43 1HB LYS 43 -6.452 11.084 -7.638 315 2HB LYS 43 2HB LYS 43 -5.060 12.131 -7.852 316 1HG LYS 43 1HG LYS 43 -4.267 9.366 -7.938 317 2HG LYS 43 2HG LYS 43 -5.558 9.686 -9.098 318 1HD LYS 43 1HD LYS 43 -4.218 10.907 -10.419 319 2HD LYS 43 2HD LYS 43 -3.488 11.751 -9.052 320 1HE LYS 43 1HE LYS 43 -2.752 8.911 -9.361 321 2HE LYS 43 2HE LYS 43 -2.167 9.998 -10.621 322 1HZ LYS 43 1HZ LYS 43 -0.522 10.470 -9.223 323 2HZ LYS 43 2HZ LYS 43 -1.287 9.717 -7.916 324 3HZ LYS 43 3HZ LYS 43 -1.648 11.326 -8.293 325 H GLU 44 H GLU 44 -5.613 13.358 -5.815 326 HA GLU 44 HA GLU 44 -3.143 14.622 -5.823 327 1HB GLU 44 1HB GLU 44 -4.280 16.528 -4.776 328 2HB GLU 44 2HB GLU 44 -5.242 15.838 -6.075 329 1HG GLU 44 1HG GLU 44 -6.794 14.923 -4.606 330 2HG GLU 44 2HG GLU 44 -5.700 15.030 -3.232 331 H LEU 45 H LEU 45 -4.911 13.156 -3.160 332 HA LEU 45 HA LEU 45 -3.339 14.161 -1.053 333 1HB LEU 45 1HB LEU 45 -5.359 12.077 -1.422 334 2HB LEU 45 2HB LEU 45 -4.183 11.686 -0.183 335 HG LEU 45 HG LEU 45 -4.692 13.873 0.915 336 1HD1 LEU 45 1HD1 LEU 45 -6.729 15.050 0.276 337 2HD1 LEU 45 2HD1 LEU 45 -6.940 13.959 -1.090 338 3HD1 LEU 45 3HD1 LEU 45 -5.557 15.050 -1.042 339 1HD2 LEU 45 1HD2 LEU 45 -5.964 11.492 1.131 340 2HD2 LEU 45 2HD2 LEU 45 -7.320 12.566 0.782 341 3HD2 LEU 45 3HD2 LEU 45 -6.276 12.885 2.166 342 H CYS 46 H CYS 46 -3.218 10.972 -2.645 343 HA CYS 46 HA CYS 46 -1.016 9.921 -1.370 344 1HB CYS 46 1HB CYS 46 -1.841 9.590 -4.261 345 2HB CYS 46 2HB CYS 46 -0.646 8.584 -3.450 346 HG CYS 46 HG CYS 46 -3.666 8.342 -3.176 347 H GLN 47 H GLN 47 -1.096 12.166 -4.089 348 HA GLN 47 HA GLN 47 1.723 12.129 -4.537 349 1HB GLN 47 1HB GLN 47 -0.372 12.968 -6.011 350 2HB GLN 47 2HB GLN 47 0.161 14.511 -5.355 351 1HG GLN 47 1HG GLN 47 2.241 14.372 -6.394 352 2HG GLN 47 2HG GLN 47 2.090 12.638 -6.671 353 1HE2 GLN 47 1HE2 GLN 47 1.198 11.926 -8.515 354 2HE2 GLN 47 2HE2 GLN 47 0.558 12.946 -9.754 355 H SER 48 H SER 48 -0.397 13.885 -2.422 356 HA SER 48 HA SER 48 1.110 16.161 -1.889 357 1HB SER 48 1HB SER 48 -1.180 14.920 -0.796 358 2HB SER 48 2HB SER 48 -0.076 15.194 0.551 359 HG SER 48 HG SER 48 -1.579 16.961 -0.090 360 H HIS 49 H HIS 49 1.280 12.958 -0.372 361 HA HIS 49 HA HIS 49 3.835 13.765 0.855 362 1HB HIS 49 1HB HIS 49 1.746 12.939 2.248 363 2HB HIS 49 2HB HIS 49 2.348 11.349 1.788 364 HD1 HIS 49 HD1 HIS 49 3.488 10.441 3.782 365 HD2 HIS 49 HD2 HIS 49 4.423 14.458 3.107 366 HE1 HIS 49 HE1 HIS 49 5.236 11.059 5.513 367 HE2 HIS 49 HE2 HIS 49 5.707 13.506 5.140 368 H ASN 50 H ASN 50 2.930 12.360 -1.836 369 HA ASN 50 HA ASN 50 3.743 10.755 -3.233 370 1HB ASN 50 1HB ASN 50 5.796 12.183 -2.704 371 2HB ASN 50 2HB ASN 50 6.274 10.902 -1.594 372 1HD2 ASN 50 1HD2 ASN 50 7.562 11.886 -4.027 373 2HD2 ASN 50 2HD2 ASN 50 7.729 10.512 -5.062 374 H ILE 51 H ILE 51 2.143 9.503 -1.650 375 HA ILE 51 HA ILE 51 3.520 7.364 -0.216 376 HB ILE 51 HB ILE 51 0.545 7.771 -0.531 377 1HG1 ILE 51 1HG1 ILE 51 1.977 8.495 1.983 378 2HG1 ILE 51 2HG1 ILE 51 2.065 9.623 0.634 379 1HG2 ILE 51 1HG2 ILE 51 1.406 5.513 0.153 380 2HG2 ILE 51 2HG2 ILE 51 0.300 6.277 1.295 381 3HG2 ILE 51 3HG2 ILE 51 2.035 6.278 1.613 382 1HD1 ILE 51 1HD1 ILE 51 0.175 10.458 1.461 383 2HD1 ILE 51 2HD1 ILE 51 -0.138 9.026 2.441 384 3HD1 ILE 51 3HD1 ILE 51 -0.605 9.050 0.740 385 HA PRO 52 HA PRO 52 3.343 5.124 -4.197 386 1HB PRO 52 1HB PRO 52 4.576 3.081 -2.413 387 2HB PRO 52 2HB PRO 52 5.072 3.617 -4.023 388 1HG PRO 52 1HG PRO 52 6.415 4.404 -1.869 389 2HG PRO 52 2HG PRO 52 6.114 5.526 -3.210 390 1HD PRO 52 1HD PRO 52 4.774 5.352 -0.546 391 2HD PRO 52 2HD PRO 52 5.207 6.780 -1.500 392 H VAL 53 H VAL 53 1.201 4.685 -4.437 393 HA VAL 53 HA VAL 53 0.261 2.145 -3.437 394 HB VAL 53 HB VAL 53 -0.355 3.715 -1.612 395 1HG1 VAL 53 1HG1 VAL 53 -2.382 4.979 -3.397 396 2HG1 VAL 53 2HG1 VAL 53 -0.734 5.607 -3.379 397 3HG1 VAL 53 3HG1 VAL 53 -1.680 5.571 -1.891 398 1HG2 VAL 53 1HG2 VAL 53 -1.760 1.687 -2.445 399 2HG2 VAL 53 2HG2 VAL 53 -2.907 2.926 -2.946 400 3HG2 VAL 53 3HG2 VAL 53 -2.435 2.792 -1.252 401 H GLU 54 H GLU 54 -1.783 1.498 -4.464 402 HA GLU 54 HA GLU 54 -2.288 3.002 -6.951 403 1HB GLU 54 1HB GLU 54 -2.583 0.017 -6.787 404 2HB GLU 54 2HB GLU 54 -2.475 1.029 -8.214 405 1HG GLU 54 1HG GLU 54 -0.093 1.404 -6.754 406 2HG GLU 54 2HG GLU 54 -0.406 -0.330 -6.810 407 H LEU 55 H LEU 55 -4.250 3.818 -6.962 408 HA LEU 55 HA LEU 55 -6.326 2.719 -5.259 409 1HB LEU 55 1HB LEU 55 -5.673 5.257 -5.960 410 2HB LEU 55 2HB LEU 55 -6.969 4.937 -7.093 411 HG LEU 55 HG LEU 55 -7.122 4.900 -4.081 412 1HD1 LEU 55 1HD1 LEU 55 -8.373 6.610 -6.218 413 2HD1 LEU 55 2HD1 LEU 55 -7.244 7.106 -4.960 414 3HD1 LEU 55 3HD1 LEU 55 -8.883 6.618 -4.530 415 1HD2 LEU 55 1HD2 LEU 55 -8.594 3.281 -5.840 416 2HD2 LEU 55 2HD2 LEU 55 -9.665 4.598 -5.374 417 3HD2 LEU 55 3HD2 LEU 55 -8.913 3.592 -4.136 418 H ILE 56 H ILE 56 -7.582 1.135 -5.969 419 HA ILE 56 HA ILE 56 -8.216 1.011 -8.842 420 HB ILE 56 HB ILE 56 -7.025 -0.963 -7.959 421 1HG1 ILE 56 1HG1 ILE 56 -9.706 -2.076 -8.482 422 2HG1 ILE 56 2HG1 ILE 56 -9.123 -0.917 -9.673 423 1HG2 ILE 56 1HG2 ILE 56 -9.476 -1.452 -6.295 424 2HG2 ILE 56 2HG2 ILE 56 -7.936 -0.873 -5.675 425 3HG2 ILE 56 3HG2 ILE 56 -8.043 -2.471 -6.401 426 1HD1 ILE 56 1HD1 ILE 56 -7.409 -2.278 -10.352 427 2HD1 ILE 56 2HD1 ILE 56 -8.654 -3.461 -9.954 428 3HD1 ILE 56 3HD1 ILE 56 -7.344 -3.145 -8.818 429 H GLN 57 H GLN 57 -10.401 0.573 -9.471 430 HA GLN 57 HA GLN 57 -12.371 1.096 -7.348 431 1HB GLN 57 1HB GLN 57 -12.828 1.845 -10.222 432 2HB GLN 57 2HB GLN 57 -13.631 2.459 -8.783 433 1HG GLN 57 1HG GLN 57 -12.207 4.141 -8.636 434 2HG GLN 57 2HG GLN 57 -10.831 3.040 -8.649 435 1HE2 GLN 57 1HE2 GLN 57 -10.548 5.459 -9.793 436 2HE2 GLN 57 2HE2 GLN 57 -10.483 5.317 -11.513 437 H CYS 58 H CYS 58 -14.178 -0.189 -7.298 438 HA CYS 58 HA CYS 58 -14.711 -2.028 -9.474 439 1HB CYS 58 1HB CYS 58 -14.039 -3.052 -6.710 440 2HB CYS 58 2HB CYS 58 -14.533 -4.016 -8.090 441 HG CYS 58 HG CYS 58 -12.026 -4.259 -8.083 442 H ARG 59 H ARG 59 -16.687 -3.438 -8.900 443 HA ARG 59 HA ARG 59 -18.733 -1.713 -7.890 444 1HB ARG 59 1HB ARG 59 -18.656 -3.696 -9.764 445 2HB ARG 59 2HB ARG 59 -19.399 -4.535 -8.411 446 1HG ARG 59 1HG ARG 59 -20.712 -2.076 -8.557 447 2HG ARG 59 2HG ARG 59 -20.541 -2.622 -10.227 448 1HD ARG 59 1HD ARG 59 -21.741 -4.588 -9.830 449 2HD ARG 59 2HD ARG 59 -21.522 -4.476 -8.084 450 HE ARG 59 HE ARG 59 -23.419 -3.221 -7.988 451 1HH1 ARG 59 1HH1 ARG 59 -22.191 -3.082 -11.252 452 2HH1 ARG 59 2HH1 ARG 59 -23.538 -2.174 -11.853 453 1HH2 ARG 59 1HH2 ARG 59 -25.191 -2.029 -8.778 454 2HH2 ARG 59 2HH2 ARG 59 -25.240 -1.576 -10.449 455 H VAL 60 H VAL 60 -20.505 -3.407 -6.700 456 HA VAL 60 HA VAL 60 -19.546 -3.462 -4.035 457 HB VAL 60 HB VAL 60 -21.912 -3.028 -4.641 458 1HG1 VAL 60 1HG1 VAL 60 -22.604 -5.872 -4.810 459 2HG1 VAL 60 2HG1 VAL 60 -21.720 -5.247 -6.202 460 3HG1 VAL 60 3HG1 VAL 60 -23.235 -4.492 -5.709 461 1HG2 VAL 60 1HG2 VAL 60 -22.608 -5.102 -2.905 462 2HG2 VAL 60 2HG2 VAL 60 -22.159 -3.453 -2.470 463 3HG2 VAL 60 3HG2 VAL 60 -20.931 -4.717 -2.516 464 H ASN 61 H ASN 61 -19.562 -5.828 -6.554 465 HA ASN 61 HA ASN 61 -18.620 -7.827 -4.608 466 1HB ASN 61 1HB ASN 61 -19.663 -9.566 -6.130 467 2HB ASN 61 2HB ASN 61 -20.791 -8.574 -5.210 468 1HD2 ASN 61 1HD2 ASN 61 -20.645 -10.026 -7.966 469 2HD2 ASN 61 2HD2 ASN 61 -21.392 -8.884 -9.025 470 H GLU 62 H GLU 62 -16.602 -6.639 -5.424 471 HA GLU 62 HA GLU 62 -15.457 -8.257 -7.579 472 1HB GLU 62 1HB GLU 62 -15.094 -5.276 -7.379 473 2HB GLU 62 2HB GLU 62 -14.419 -6.328 -8.614 474 1HG GLU 62 1HG GLU 62 -17.362 -5.879 -8.184 475 2HG GLU 62 2HG GLU 62 -16.375 -4.991 -9.341 476 H ILE 63 H ILE 63 -14.956 -6.075 -4.863 477 HA ILE 63 HA ILE 63 -12.194 -6.174 -4.641 478 HB ILE 63 HB ILE 63 -14.074 -6.187 -2.279 479 1HG1 ILE 63 1HG1 ILE 63 -13.105 -3.733 -3.747 480 2HG1 ILE 63 2HG1 ILE 63 -14.650 -4.491 -4.106 481 1HG2 ILE 63 1HG2 ILE 63 -11.730 -4.471 -2.178 482 2HG2 ILE 63 2HG2 ILE 63 -11.317 -6.172 -2.393 483 3HG2 ILE 63 3HG2 ILE 63 -12.307 -5.671 -1.024 484 1HD1 ILE 63 1HD1 ILE 63 -13.865 -2.794 -1.874 485 2HD1 ILE 63 2HD1 ILE 63 -14.791 -4.219 -1.408 486 3HD1 ILE 63 3HD1 ILE 63 -15.452 -3.082 -2.582 487 H GLU 64 H GLU 64 -14.634 -8.430 -3.474 488 HA GLU 64 HA GLU 64 -12.965 -10.129 -1.997 489 1HB GLU 64 1HB GLU 64 -15.562 -10.629 -3.453 490 2HB GLU 64 2HB GLU 64 -14.772 -11.852 -2.466 491 1HG GLU 64 1HG GLU 64 -16.349 -10.929 -1.045 492 2HG GLU 64 2HG GLU 64 -14.854 -10.113 -0.589 493 H THR 65 H THR 65 -13.966 -10.227 -5.403 494 HA THR 65 HA THR 65 -12.485 -12.596 -5.994 495 HB THR 65 HB THR 65 -12.871 -11.256 -8.406 496 HG1 THR 65 HG1 THR 65 -14.933 -10.411 -8.262 497 1HG2 THR 65 1HG2 THR 65 -14.024 -13.510 -7.019 498 2HG2 THR 65 2HG2 THR 65 -13.699 -13.281 -8.737 499 3HG2 THR 65 3HG2 THR 65 -15.203 -12.683 -8.036 500 H TYR 66 H TYR 66 -11.916 -9.129 -6.417 501 HA TYR 66 HA TYR 66 -9.312 -9.606 -7.591 502 1HB TYR 66 1HB TYR 66 -10.742 -7.041 -6.873 503 2HB TYR 66 2HB TYR 66 -9.178 -7.124 -7.678 504 HD1 TYR 66 HD1 TYR 66 -12.685 -6.990 -8.142 505 HD2 TYR 66 HD2 TYR 66 -9.107 -8.449 -9.913 506 HE1 TYR 66 HE1 TYR 66 -13.828 -7.129 -10.315 507 HE2 TYR 66 HE2 TYR 66 -10.235 -8.587 -12.095 508 HH TYR 66 HH TYR 66 -12.348 -7.320 -13.166 509 H MET 67 H MET 67 -10.205 -10.091 -4.618 510 HA MET 67 HA MET 67 -8.499 -8.396 -3.081 511 1HB MET 67 1HB MET 67 -10.594 -10.031 -2.484 512 2HB MET 67 2HB MET 67 -9.241 -11.016 -1.948 513 1HG MET 67 1HG MET 67 -9.527 -8.156 -1.109 514 2HG MET 67 2HG MET 67 -10.346 -9.458 -0.256 515 1HE MET 67 1HE MET 67 -8.098 -11.829 -0.567 516 2HE MET 67 2HE MET 67 -9.114 -11.497 0.836 517 3HE MET 67 3HE MET 67 -7.366 -11.631 1.024 518 H ASP 68 H ASP 68 -6.916 -9.351 -5.106 519 HA ASP 68 HA ASP 68 -5.450 -11.678 -4.329 520 1HB ASP 68 1HB ASP 68 -5.357 -9.688 -6.514 521 2HB ASP 68 2HB ASP 68 -3.820 -10.444 -6.110 522 H GLY 69 H GLY 69 -4.808 -8.185 -4.266 523 1HA GLY 69 1HA GLY 69 -3.024 -8.586 -2.000 524 2HA GLY 69 2HA GLY 69 -2.290 -7.918 -3.451 525 H VAL 70 H VAL 70 -5.264 -7.383 -1.548 526 HA VAL 70 HA VAL 70 -4.943 -4.509 -1.971 527 HB VAL 70 HB VAL 70 -7.221 -4.311 -1.034 528 1HG1 VAL 70 1HG1 VAL 70 -6.471 -5.686 -3.477 529 2HG1 VAL 70 2HG1 VAL 70 -7.653 -4.404 -3.218 530 3HG1 VAL 70 3HG1 VAL 70 -8.106 -6.089 -2.954 531 1HG2 VAL 70 1HG2 VAL 70 -8.559 -6.292 -0.619 532 2HG2 VAL 70 2HG2 VAL 70 -7.142 -6.291 0.429 533 3HG2 VAL 70 3HG2 VAL 70 -7.181 -7.326 -0.999 534 H HIS 71 H HIS 71 -4.286 -3.177 -0.436 535 HA HIS 71 HA HIS 71 -3.712 -4.277 2.204 536 1HB HIS 71 1HB HIS 71 -2.280 -2.621 0.536 537 2HB HIS 71 2HB HIS 71 -2.951 -1.493 1.706 538 HD1 HIS 71 HD1 HIS 71 -1.051 -4.802 1.736 539 HD2 HIS 71 HD2 HIS 71 -1.431 -1.260 3.924 540 HE1 HIS 71 HE1 HIS 71 0.670 -4.932 3.593 541 HE2 HIS 71 HE2 HIS 71 0.455 -2.763 4.858 542 H LEU 72 H LEU 72 -5.854 -2.052 0.627 543 HA LEU 72 HA LEU 72 -7.312 -1.666 3.106 544 1HB LEU 72 1HB LEU 72 -6.603 0.786 1.524 545 2HB LEU 72 2HB LEU 72 -7.276 0.689 3.135 546 HG LEU 72 HG LEU 72 -4.590 -0.485 2.870 547 1HD1 LEU 72 1HD1 LEU 72 -4.102 2.265 3.153 548 2HD1 LEU 72 2HD1 LEU 72 -5.093 2.074 1.710 549 3HD1 LEU 72 3HD1 LEU 72 -3.572 1.194 1.857 550 1HD2 LEU 72 1HD2 LEU 72 -5.951 1.412 4.764 551 2HD2 LEU 72 2HD2 LEU 72 -4.276 0.888 4.933 552 3HD2 LEU 72 3HD2 LEU 72 -5.583 -0.293 5.024 553 H ILE 73 H ILE 73 -9.498 -1.134 2.759 554 HA ILE 73 HA ILE 73 -10.311 -0.996 -0.071 555 HB ILE 73 HB ILE 73 -12.255 -2.269 1.706 556 1HG1 ILE 73 1HG1 ILE 73 -10.008 -3.182 2.511 557 2HG1 ILE 73 2HG1 ILE 73 -11.211 -4.347 1.992 558 1HG2 ILE 73 1HG2 ILE 73 -12.415 -3.820 -0.228 559 2HG2 ILE 73 2HG2 ILE 73 -11.133 -2.896 -1.010 560 3HG2 ILE 73 3HG2 ILE 73 -12.671 -2.122 -0.629 561 1HD1 ILE 73 1HD1 ILE 73 -8.822 -3.423 0.428 562 2HD1 ILE 73 2HD1 ILE 73 -10.074 -4.497 -0.193 563 3HD1 ILE 73 3HD1 ILE 73 -9.066 -5.008 1.161 564 H CYS 74 H CYS 74 -11.926 0.403 -0.574 565 HA CYS 74 HA CYS 74 -13.174 1.865 1.657 566 1HB CYS 74 1HB CYS 74 -11.654 2.867 -0.655 567 2HB CYS 74 2HB CYS 74 -13.188 3.688 -0.386 568 HG CYS 74 HG CYS 74 -12.311 4.280 2.039 569 H THR 75 H THR 75 -15.213 1.082 1.682 570 HA THR 75 HA THR 75 -16.750 1.293 -0.816 571 HB THR 75 HB THR 75 -17.719 -0.818 0.946 572 HG1 THR 75 HG1 THR 75 -16.005 -2.262 0.436 573 1HG2 THR 75 1HG2 THR 75 -17.990 -0.265 -1.679 574 2HG2 THR 75 2HG2 THR 75 -18.283 -1.848 -0.960 575 3HG2 THR 75 3HG2 THR 75 -16.736 -1.503 -1.731 576 H THR 76 H THR 76 -18.867 1.999 -0.595 577 HA THR 76 HA THR 76 -19.520 3.088 2.051 578 HB THR 76 HB THR 76 -21.266 4.382 0.629 579 HG1 THR 76 HG1 THR 76 -21.228 3.770 -1.372 580 1HG2 THR 76 1HG2 THR 76 -18.939 5.179 1.550 581 2HG2 THR 76 2HG2 THR 76 -19.870 6.165 0.424 582 3HG2 THR 76 3HG2 THR 76 -18.525 5.189 -0.164 583 H ALA 77 H ALA 77 -20.071 0.716 2.486 584 HA ALA 77 HA ALA 77 -22.954 0.435 2.213 585 1HB ALA 77 1HB ALA 77 -22.767 -1.923 1.474 586 2HB ALA 77 2HB ALA 77 -21.033 -1.683 1.256 587 3HB ALA 77 3HB ALA 77 -22.180 -0.770 0.277 588 H ARG 78 H ARG 78 -23.904 -0.668 3.892 589 HA ARG 78 HA ARG 78 -22.398 -0.904 6.290 590 1HB ARG 78 1HB ARG 78 -25.054 -0.586 5.683 591 2HB ARG 78 2HB ARG 78 -25.008 -2.250 6.250 592 1HG ARG 78 1HG ARG 78 -23.931 -1.498 8.324 593 2HG ARG 78 2HG ARG 78 -24.033 0.170 7.755 594 1HD ARG 78 1HD ARG 78 -26.091 0.319 8.572 595 2HD ARG 78 2HD ARG 78 -26.608 -0.981 7.504 596 HE ARG 78 HE ARG 78 -26.056 -2.545 9.279 597 1HH1 ARG 78 1HH1 ARG 78 -26.297 0.823 10.205 598 2HH1 ARG 78 2HH1 ARG 78 -26.605 0.464 11.867 599 1HH2 ARG 78 1HH2 ARG 78 -26.460 -3.001 11.466 600 2HH2 ARG 78 2HH2 ARG 78 -26.696 -1.699 12.584 601 H VAL 79 H VAL 79 -20.835 -2.445 5.137 602 HA VAL 79 HA VAL 79 -21.608 -5.156 4.755 603 HB VAL 79 HB VAL 79 -19.111 -5.581 4.801 604 1HG1 VAL 79 1HG1 VAL 79 -19.892 -3.395 2.894 605 2HG1 VAL 79 2HG1 VAL 79 -20.539 -5.033 2.776 606 3HG1 VAL 79 3HG1 VAL 79 -18.804 -4.756 2.620 607 1HG2 VAL 79 1HG2 VAL 79 -19.042 -3.123 6.077 608 2HG2 VAL 79 2HG2 VAL 79 -18.440 -2.783 4.455 609 3HG2 VAL 79 3HG2 VAL 79 -17.663 -4.018 5.442 610 H ASP 80 H ASP 80 -19.987 -6.815 6.001 611 HA ASP 80 HA ASP 80 -20.715 -6.510 8.826 612 1HB ASP 80 1HB ASP 80 -20.300 -8.981 8.927 613 2HB ASP 80 2HB ASP 80 -21.600 -8.509 7.834 614 H ARG 81 H ARG 81 -18.010 -6.453 6.753 615 HA ARG 81 HA ARG 81 -15.747 -6.736 7.073 616 1HB ARG 81 1HB ARG 81 -14.848 -5.100 8.630 617 2HB ARG 81 2HB ARG 81 -16.204 -4.424 7.743 618 1HG ARG 81 1HG ARG 81 -17.026 -3.774 9.693 619 2HG ARG 81 2HG ARG 81 -17.349 -5.468 10.043 620 1HD ARG 81 1HD ARG 81 -15.356 -5.707 11.265 621 2HD ARG 81 2HD ARG 81 -14.678 -4.218 10.608 622 HE ARG 81 HE ARG 81 -17.031 -3.643 12.050 623 1HH1 ARG 81 1HH1 ARG 81 -13.722 -4.622 12.547 624 2HH1 ARG 81 2HH1 ARG 81 -13.617 -3.924 14.129 625 1HH2 ARG 81 1HH2 ARG 81 -16.907 -2.732 14.139 626 2HH2 ARG 81 2HH2 ARG 81 -15.429 -2.850 15.034 627 H SER 82 H SER 82 -16.932 -9.010 8.057 628 HA SER 82 HA SER 82 -15.237 -9.592 10.391 629 1HB SER 82 1HB SER 82 -17.748 -9.427 10.885 630 2HB SER 82 2HB SER 82 -17.910 -10.915 9.952 631 HG SER 82 HG SER 82 -17.278 -11.941 11.656 632 H PHE 83 H PHE 83 -15.658 -10.170 7.221 633 HA PHE 83 HA PHE 83 -15.067 -13.032 7.340 634 1HB PHE 83 1HB PHE 83 -15.375 -12.992 4.887 635 2HB PHE 83 2HB PHE 83 -16.787 -12.382 5.742 636 HD1 PHE 83 HD1 PHE 83 -14.332 -11.712 3.238 637 HD2 PHE 83 HD2 PHE 83 -17.069 -9.862 5.917 638 HE1 PHE 83 HE1 PHE 83 -14.255 -9.652 1.890 639 HE2 PHE 83 HE2 PHE 83 -16.997 -7.801 4.579 640 HZ PHE 83 HZ PHE 83 -15.589 -7.693 2.562 641 H GLY 84 H GLY 84 -12.969 -13.312 7.838 642 1HA GLY 84 1HA GLY 84 -10.726 -13.535 7.263 643 2HA GLY 84 2HA GLY 84 -11.001 -12.477 5.887 644 H ASP 85 H ASP 85 -9.608 -10.840 6.047 645 HA ASP 85 HA ASP 85 -9.650 -9.231 8.486 646 1HB ASP 85 1HB ASP 85 -7.217 -10.506 7.268 647 2HB ASP 85 2HB ASP 85 -7.082 -8.984 8.143 648 H ILE 86 H ILE 86 -10.598 -9.111 5.638 649 HA ILE 86 HA ILE 86 -9.137 -7.361 4.075 650 HB ILE 86 HB ILE 86 -11.139 -8.535 3.287 651 1HG1 ILE 86 1HG1 ILE 86 -11.469 -5.543 3.071 652 2HG1 ILE 86 2HG1 ILE 86 -10.317 -6.486 2.129 653 1HG2 ILE 86 1HG2 ILE 86 -12.436 -8.118 5.417 654 2HG2 ILE 86 2HG2 ILE 86 -13.338 -7.944 3.911 655 3HG2 ILE 86 3HG2 ILE 86 -12.786 -6.512 4.778 656 1HD1 ILE 86 1HD1 ILE 86 -11.979 -6.448 0.619 657 2HD1 ILE 86 2HD1 ILE 86 -13.230 -6.202 1.837 658 3HD1 ILE 86 3HD1 ILE 86 -12.574 -7.816 1.558 659 HA PRO 87 HA PRO 87 -9.403 -3.855 6.979 660 1HB PRO 87 1HB PRO 87 -7.441 -2.404 5.789 661 2HB PRO 87 2HB PRO 87 -7.109 -3.725 6.915 662 1HG PRO 87 1HG PRO 87 -7.088 -3.747 3.917 663 2HG PRO 87 2HG PRO 87 -5.911 -4.444 5.048 664 1HD PRO 87 1HD PRO 87 -7.791 -5.956 3.845 665 2HD PRO 87 2HD PRO 87 -7.238 -6.277 5.498 666 H LEU 88 H LEU 88 -11.562 -3.646 5.755 667 HA LEU 88 HA LEU 88 -11.445 -1.557 3.701 668 1HB LEU 88 1HB LEU 88 -13.770 -2.102 3.235 669 2HB LEU 88 2HB LEU 88 -12.753 -3.526 3.136 670 HG LEU 88 HG LEU 88 -13.603 -3.686 5.717 671 1HD1 LEU 88 1HD1 LEU 88 -15.902 -2.565 4.123 672 2HD1 LEU 88 2HD1 LEU 88 -15.076 -1.749 5.451 673 3HD1 LEU 88 3HD1 LEU 88 -15.987 -3.227 5.755 674 1HD2 LEU 88 1HD2 LEU 88 -15.444 -4.830 3.716 675 2HD2 LEU 88 2HD2 LEU 88 -14.556 -5.613 5.023 676 3HD2 LEU 88 3HD2 LEU 88 -13.736 -5.217 3.512 677 H VAL 89 H VAL 89 -12.904 0.263 3.824 678 HA VAL 89 HA VAL 89 -13.881 0.916 6.514 679 HB VAL 89 HB VAL 89 -12.411 2.999 4.919 680 1HG1 VAL 89 1HG1 VAL 89 -12.866 4.336 6.636 681 2HG1 VAL 89 2HG1 VAL 89 -12.271 3.155 7.802 682 3HG1 VAL 89 3HG1 VAL 89 -13.937 3.073 7.239 683 1HG2 VAL 89 1HG2 VAL 89 -10.510 1.851 5.212 684 2HG2 VAL 89 2HG2 VAL 89 -11.235 0.760 6.391 685 3HG2 VAL 89 3HG2 VAL 89 -10.648 2.341 6.900 686 H HIS 90 H HIS 90 -15.542 2.508 6.559 687 HA HIS 90 HA HIS 90 -17.133 2.557 4.150 688 1HB HIS 90 1HB HIS 90 -17.608 3.566 6.954 689 2HB HIS 90 2HB HIS 90 -18.760 3.813 5.645 690 HD1 HIS 90 HD1 HIS 90 -18.866 1.952 8.391 691 HD2 HIS 90 HD2 HIS 90 -18.680 0.775 4.383 692 HE1 HIS 90 HE1 HIS 90 -19.811 -0.400 8.302 693 HE2 HIS 90 HE2 HIS 90 -19.729 -1.061 5.872 694 H GLY 91 H GLY 91 -17.817 4.400 3.046 695 1HA GLY 91 1HA GLY 91 -16.133 6.786 3.505 696 2HA GLY 91 2HA GLY 91 -16.643 6.239 1.914 697 H MET 92 H MET 92 -18.746 6.255 4.714 698 HA MET 92 HA MET 92 -20.781 7.641 3.366 699 1HB MET 92 1HB MET 92 -20.622 6.183 5.680 700 2HB MET 92 2HB MET 92 -20.872 7.809 6.296 701 1HG MET 92 1HG MET 92 -22.999 6.784 6.070 702 2HG MET 92 2HG MET 92 -22.856 7.996 4.799 703 1HE MET 92 1HE MET 92 -22.507 7.766 2.644 704 2HE MET 92 2HE MET 92 -23.728 6.728 1.910 705 3HE MET 92 3HE MET 92 -22.019 6.322 1.755 706 HA PRO 93 HA PRO 93 -19.507 11.529 5.871 707 1HB PRO 93 1HB PRO 93 -17.164 11.537 7.198 708 2HB PRO 93 2HB PRO 93 -18.650 10.906 7.917 709 1HG PRO 93 1HG PRO 93 -16.383 9.421 6.642 710 2HG PRO 93 2HG PRO 93 -17.265 9.048 8.134 711 1HD PRO 93 1HD PRO 93 -17.764 7.824 5.755 712 2HD PRO 93 2HD PRO 93 -19.003 8.061 7.004 713 H PHE 94 H PHE 94 -16.915 9.702 4.329 714 HA PHE 94 HA PHE 94 -15.360 11.926 3.525 715 1HB PHE 94 1HB PHE 94 -15.146 9.148 3.362 716 2HB PHE 94 2HB PHE 94 -15.193 9.684 1.687 717 HD1 PHE 94 HD1 PHE 94 -13.060 9.624 0.838 718 HD2 PHE 94 HD2 PHE 94 -13.687 11.185 4.746 719 HE1 PHE 94 HE1 PHE 94 -10.678 10.225 0.977 720 HE2 PHE 94 HE2 PHE 94 -11.307 11.791 4.888 721 HZ PHE 94 HZ PHE 94 -9.801 11.308 3.010 722 H VAL 95 H VAL 95 -18.030 10.188 2.020 723 HA VAL 95 HA VAL 95 -17.856 11.581 -0.473 724 HB VAL 95 HB VAL 95 -20.123 9.958 0.705 725 1HG1 VAL 95 1HG1 VAL 95 -21.241 10.024 -1.311 726 2HG1 VAL 95 2HG1 VAL 95 -19.795 10.467 -2.221 727 3HG1 VAL 95 3HG1 VAL 95 -20.607 11.665 -1.216 728 1HG2 VAL 95 1HG2 VAL 95 -18.354 9.034 -1.507 729 2HG2 VAL 95 2HG2 VAL 95 -19.251 8.094 -0.315 730 3HG2 VAL 95 3HG2 VAL 95 -17.776 8.940 0.156 731 H SER 96 H SER 96 -19.297 12.222 2.594 732 HA SER 96 HA SER 96 -21.388 13.923 1.887 733 1HB SER 96 1HB SER 96 -20.106 13.117 4.266 734 2HB SER 96 2HB SER 96 -20.066 14.879 4.262 735 HG SER 96 HG SER 96 -22.198 14.948 4.370 736 H GLY 97 H GLY 97 -17.932 14.494 2.069 737 1HA GLY 97 1HA GLY 97 -16.763 16.175 0.939 738 2HA GLY 97 2HA GLY 97 -18.285 16.995 0.629 739 H VAL 98 H VAL 98 -18.463 16.320 3.794 740 HA VAL 98 HA VAL 98 -17.150 18.843 4.566 741 HB VAL 98 HB VAL 98 -19.606 18.980 4.664 742 1HG1 VAL 98 1HG1 VAL 98 -19.660 16.424 5.345 743 2HG1 VAL 98 2HG1 VAL 98 -20.959 17.533 5.779 744 3HG1 VAL 98 3HG1 VAL 98 -19.723 17.113 6.966 745 1HG2 VAL 98 1HG2 VAL 98 -17.939 19.217 7.116 746 2HG2 VAL 98 2HG2 VAL 98 -19.682 19.425 7.270 747 3HG2 VAL 98 3HG2 VAL 98 -18.764 20.464 6.182 748 H GLY 99 H GLY 99 -17.476 15.464 5.203 749 1HA GLY 99 1HA GLY 99 -16.137 15.720 7.795 750 2HA GLY 99 2HA GLY 99 -16.860 14.256 7.147 751 H ILE 100 H ILE 100 -15.021 15.785 4.772 752 HA ILE 100 HA ILE 100 -13.089 13.694 4.774 753 HB ILE 100 HB ILE 100 -13.106 16.261 3.180 754 1HG1 ILE 100 1HG1 ILE 100 -14.106 13.489 2.498 755 2HG1 ILE 100 2HG1 ILE 100 -15.110 14.903 2.800 756 1HG2 ILE 100 1HG2 ILE 100 -10.908 14.955 3.416 757 2HG2 ILE 100 2HG2 ILE 100 -11.464 15.347 1.789 758 3HG2 ILE 100 3HG2 ILE 100 -11.694 13.721 2.431 759 1HD1 ILE 100 1HD1 ILE 100 -15.101 14.937 0.538 760 2HD1 ILE 100 2HD1 ILE 100 -13.514 14.176 0.421 761 3HD1 ILE 100 3HD1 ILE 100 -13.643 15.887 0.825 762 H GLU 101 H GLU 101 -12.875 17.193 5.446 763 HA GLU 101 HA GLU 101 -10.166 17.379 5.921 764 1HB GLU 101 1HB GLU 101 -12.526 18.940 6.596 765 2HB GLU 101 2HB GLU 101 -11.279 19.066 7.829 766 1HG GLU 101 1HG GLU 101 -9.666 19.760 6.143 767 2HG GLU 101 2HG GLU 101 -10.901 19.613 4.893 768 H ALA 102 H ALA 102 -12.704 16.608 8.301 769 HA ALA 102 HA ALA 102 -10.917 16.249 10.466 770 1HB ALA 102 1HB ALA 102 -12.793 16.082 11.648 771 2HB ALA 102 2HB ALA 102 -13.341 14.689 10.714 772 3HB ALA 102 3HB ALA 102 -13.670 16.323 10.137 773 H LEU 103 H LEU 103 -12.413 13.964 8.191 774 HA LEU 103 HA LEU 103 -11.312 11.640 9.391 775 1HB LEU 103 1HB LEU 103 -13.021 12.230 7.204 776 2HB LEU 103 2HB LEU 103 -11.716 11.239 6.592 777 HG LEU 103 HG LEU 103 -12.386 9.867 8.837 778 1HD1 LEU 103 1HD1 LEU 103 -15.094 10.174 7.867 779 2HD1 LEU 103 2HD1 LEU 103 -14.474 11.672 8.560 780 3HD1 LEU 103 3HD1 LEU 103 -14.478 10.192 9.518 781 1HD2 LEU 103 1HD2 LEU 103 -13.346 9.634 6.001 782 2HD2 LEU 103 2HD2 LEU 103 -13.743 8.429 7.226 783 3HD2 LEU 103 3HD2 LEU 103 -12.058 8.740 6.807 784 H GLN 104 H GLN 104 -10.185 13.868 6.922 785 HA GLN 104 HA GLN 104 -8.086 12.335 5.895 786 1HB GLN 104 1HB GLN 104 -9.055 14.645 5.141 787 2HB GLN 104 2HB GLN 104 -7.804 15.297 6.190 788 1HG GLN 104 1HG GLN 104 -6.539 13.348 4.640 789 2HG GLN 104 2HG GLN 104 -7.595 14.224 3.533 790 1HE2 GLN 104 1HE2 GLN 104 -5.526 14.863 2.585 791 2HE2 GLN 104 2HE2 GLN 104 -4.704 16.237 3.235 792 H ASN 105 H ASN 105 -7.952 14.869 8.401 793 HA ASN 105 HA ASN 105 -5.288 14.632 9.076 794 1HB ASN 105 1HB ASN 105 -7.465 16.042 10.047 795 2HB ASN 105 2HB ASN 105 -6.976 15.051 11.419 796 1HD2 ASN 105 1HD2 ASN 105 -5.743 17.290 8.988 797 2HD2 ASN 105 2HD2 ASN 105 -4.488 17.950 9.975 798 H LYS 106 H LYS 106 -8.009 12.655 10.119 799 HA LYS 106 HA LYS 106 -6.422 11.184 12.023 800 1HB LYS 106 1HB LYS 106 -9.246 10.949 11.025 801 2HB LYS 106 2HB LYS 106 -8.530 9.683 12.014 802 1HG LYS 106 1HG LYS 106 -8.333 12.469 13.006 803 2HG LYS 106 2HG LYS 106 -9.914 11.689 13.054 804 1HD LYS 106 1HD LYS 106 -8.844 11.286 15.151 805 2HD LYS 106 2HD LYS 106 -8.837 9.770 14.248 806 1HE LYS 106 1HE LYS 106 -6.688 10.267 15.393 807 2HE LYS 106 2HE LYS 106 -6.536 10.067 13.648 808 1HZ LYS 106 1HZ LYS 106 -6.376 12.411 13.366 809 2HZ LYS 106 2HZ LYS 106 -5.284 11.982 14.583 810 3HZ LYS 106 3HZ LYS 106 -6.758 12.705 14.986 811 H ILE 107 H ILE 107 -7.700 10.615 8.764 812 HA ILE 107 HA ILE 107 -6.913 7.920 8.592 813 HB ILE 107 HB ILE 107 -8.471 9.176 7.020 814 1HG1 ILE 107 1HG1 ILE 107 -6.708 7.758 5.190 815 2HG1 ILE 107 2HG1 ILE 107 -6.957 6.882 6.699 816 1HG2 ILE 107 1HG2 ILE 107 -5.832 10.062 5.902 817 2HG2 ILE 107 2HG2 ILE 107 -7.225 11.036 6.343 818 3HG2 ILE 107 3HG2 ILE 107 -7.297 9.993 4.929 819 1HD1 ILE 107 1HD1 ILE 107 -9.483 7.736 6.029 820 2HD1 ILE 107 2HD1 ILE 107 -8.822 6.120 5.776 821 3HD1 ILE 107 3HD1 ILE 107 -8.761 7.312 4.477 822 H LEU 108 H LEU 108 -5.190 10.920 7.914 823 HA LEU 108 HA LEU 108 -2.910 9.652 6.756 824 1HB LEU 108 1HB LEU 108 -3.172 12.404 7.972 825 2HB LEU 108 2HB LEU 108 -1.835 11.849 6.982 826 HG LEU 108 HG LEU 108 -4.689 12.098 6.029 827 1HD1 LEU 108 1HD1 LEU 108 -3.318 13.907 4.595 828 2HD1 LEU 108 2HD1 LEU 108 -2.442 14.003 6.123 829 3HD1 LEU 108 3HD1 LEU 108 -4.182 14.293 6.083 830 1HD2 LEU 108 1HD2 LEU 108 -3.744 10.489 4.666 831 2HD2 LEU 108 2HD2 LEU 108 -2.139 11.212 4.747 832 3HD2 LEU 108 3HD2 LEU 108 -3.402 11.976 3.783 833 H THR 109 H THR 109 -3.605 11.014 9.968 834 HA THR 109 HA THR 109 -1.141 10.616 11.161 835 HB THR 109 HB THR 109 -3.859 10.295 12.446 836 HG1 THR 109 HG1 THR 109 -2.219 12.596 12.204 837 1HG2 THR 109 1HG2 THR 109 -1.161 10.864 13.634 838 2HG2 THR 109 2HG2 THR 109 -2.247 9.522 13.997 839 3HG2 THR 109 3HG2 THR 109 -2.685 11.164 14.469 840 H ILE 110 H ILE 110 -3.702 8.290 10.531 841 HA ILE 110 HA ILE 110 -2.365 6.203 12.037 842 HB ILE 110 HB ILE 110 -4.725 5.861 10.193 843 1HG1 ILE 110 1HG1 ILE 110 -5.219 7.622 11.835 844 2HG1 ILE 110 2HG1 ILE 110 -6.161 6.173 12.154 845 1HG2 ILE 110 1HG2 ILE 110 -5.000 3.796 11.105 846 2HG2 ILE 110 2HG2 ILE 110 -4.317 4.270 12.661 847 3HG2 ILE 110 3HG2 ILE 110 -3.253 3.943 11.293 848 1HD1 ILE 110 1HD1 ILE 110 -4.747 5.590 13.986 849 2HD1 ILE 110 2HD1 ILE 110 -5.239 7.274 14.173 850 3HD1 ILE 110 3HD1 ILE 110 -3.620 6.887 13.590 851 H LEU 111 H LEU 111 -2.986 7.007 8.641 852 HA LEU 111 HA LEU 111 -1.896 4.682 7.509 853 1HB LEU 111 1HB LEU 111 -2.479 7.434 6.552 854 2HB LEU 111 2HB LEU 111 -1.398 6.457 5.576 855 HG LEU 111 HG LEU 111 -4.196 5.644 6.372 856 1HD1 LEU 111 1HD1 LEU 111 -4.115 5.944 3.632 857 2HD1 LEU 111 2HD1 LEU 111 -3.205 7.334 4.225 858 3HD1 LEU 111 3HD1 LEU 111 -4.856 7.058 4.781 859 1HD2 LEU 111 1HD2 LEU 111 -3.205 3.635 5.959 860 2HD2 LEU 111 2HD2 LEU 111 -1.988 4.329 4.888 861 3HD2 LEU 111 3HD2 LEU 111 -3.635 4.084 4.309 862 H GLN 112 H GLN 112 -0.411 7.649 8.640 863 HA GLN 112 HA GLN 112 2.143 7.217 7.486 864 1HB GLN 112 1HB GLN 112 1.384 8.837 9.925 865 2HB GLN 112 2HB GLN 112 2.919 8.936 9.071 866 1HG GLN 112 1HG GLN 112 0.404 9.391 7.552 867 2HG GLN 112 2HG GLN 112 0.997 10.661 8.623 868 1HE2 GLN 112 1HE2 GLN 112 1.827 8.626 5.884 869 2HE2 GLN 112 2HE2 GLN 112 2.995 9.699 5.200 870 H GLY 113 H GLY 113 0.702 6.356 10.593 871 1HA GLY 113 1HA GLY 113 3.169 5.255 11.613 872 2HA GLY 113 2HA GLY 113 1.592 5.183 12.386 Start of MODEL 11 1 1H MET 1 1H MET 1 3.560 -30.050 20.266 2 2H MET 1 2H MET 1 2.069 -30.818 19.899 3 3H MET 1 3H MET 1 2.369 -30.233 21.484 4 HA MET 1 HA MET 1 2.247 -28.544 19.082 5 1HB MET 1 1HB MET 1 0.171 -29.766 20.731 6 2HB MET 1 2HB MET 1 0.043 -28.013 20.682 7 1HG MET 1 1HG MET 1 0.340 -29.630 18.179 8 2HG MET 1 2HG MET 1 -1.233 -29.370 18.934 9 1HE MET 1 1HE MET 1 -1.574 -28.485 16.276 10 2HE MET 1 2HE MET 1 -1.939 -26.760 16.314 11 3HE MET 1 3HE MET 1 -2.647 -27.838 17.517 12 H GLY 2 H GLY 2 3.759 -27.053 19.629 13 1HA GLY 2 1HA GLY 2 3.361 -25.677 22.212 14 2HA GLY 2 2HA GLY 2 4.972 -26.063 21.623 15 H SER 3 H SER 3 2.033 -24.583 20.240 16 HA SER 3 HA SER 3 3.725 -22.345 19.342 17 1HB SER 3 1HB SER 3 2.141 -24.138 17.773 18 2HB SER 3 2HB SER 3 1.430 -22.529 17.668 19 HG SER 3 HG SER 3 4.198 -22.697 17.420 20 H SER 4 H SER 4 2.142 -20.459 18.620 21 HA SER 4 HA SER 4 -0.255 -20.133 20.103 22 1HB SER 4 1HB SER 4 0.382 -18.748 21.864 23 2HB SER 4 2HB SER 4 1.695 -19.924 21.832 24 HG SER 4 HG SER 4 2.286 -17.615 21.932 25 H HIS 5 H HIS 5 2.482 -18.528 18.539 26 HA HIS 5 HA HIS 5 0.722 -17.143 16.747 27 1HB HIS 5 1HB HIS 5 1.041 -15.815 19.064 28 2HB HIS 5 2HB HIS 5 2.465 -15.235 18.206 29 HD1 HIS 5 HD1 HIS 5 -0.902 -15.934 16.616 30 HD2 HIS 5 HD2 HIS 5 1.570 -12.711 17.603 31 HE1 HIS 5 HE1 HIS 5 -1.959 -13.884 15.560 32 HE2 HIS 5 HE2 HIS 5 -0.402 -11.978 16.098 33 H HIS 6 H HIS 6 1.947 -15.824 15.150 34 HA HIS 6 HA HIS 6 4.790 -16.071 14.996 35 1HB HIS 6 1HB HIS 6 3.889 -18.394 14.380 36 2HB HIS 6 2HB HIS 6 3.273 -17.639 12.915 37 HD1 HIS 6 HD1 HIS 6 6.486 -16.230 13.964 38 HD2 HIS 6 HD2 HIS 6 5.173 -19.448 11.644 39 HE1 HIS 6 HE1 HIS 6 8.481 -16.959 12.577 40 HE2 HIS 6 HE2 HIS 6 7.682 -18.953 11.259 41 H HIS 7 H HIS 7 5.678 -15.005 13.130 42 HA HIS 7 HA HIS 7 3.770 -13.152 11.876 43 1HB HIS 7 1HB HIS 7 5.900 -12.505 13.411 44 2HB HIS 7 2HB HIS 7 6.662 -12.519 11.825 45 HD1 HIS 7 HD1 HIS 7 6.997 -9.918 12.164 46 HD2 HIS 7 HD2 HIS 7 3.038 -11.217 11.827 47 HE1 HIS 7 HE1 HIS 7 5.614 -7.847 11.693 48 HE2 HIS 7 HE2 HIS 7 3.228 -8.648 11.580 49 H HIS 8 H HIS 8 3.347 -14.812 10.244 50 HA HIS 8 HA HIS 8 5.470 -14.891 8.198 51 1HB HIS 8 1HB HIS 8 4.820 -17.102 9.388 52 2HB HIS 8 2HB HIS 8 3.349 -17.012 8.423 53 HD1 HIS 8 HD1 HIS 8 5.064 -15.748 5.922 54 HD2 HIS 8 HD2 HIS 8 5.640 -19.373 7.924 55 HE1 HIS 8 HE1 HIS 8 6.311 -17.255 4.308 56 HE2 HIS 8 HE2 HIS 8 6.720 -19.396 5.573 57 H HIS 9 H HIS 9 4.940 -14.272 6.171 58 HA HIS 9 HA HIS 9 2.667 -12.722 5.706 59 1HB HIS 9 1HB HIS 9 4.980 -13.019 4.397 60 2HB HIS 9 2HB HIS 9 3.968 -14.033 3.373 61 HD1 HIS 9 HD1 HIS 9 3.818 -12.546 1.350 62 HD2 HIS 9 HD2 HIS 9 2.758 -10.610 4.900 63 HE1 HIS 9 HE1 HIS 9 2.853 -10.302 0.668 64 HE2 HIS 9 HE2 HIS 9 2.302 -9.128 2.829 65 H HIS 10 H HIS 10 1.077 -13.133 3.890 66 HA HIS 10 HA HIS 10 -0.492 -15.392 4.535 67 1HB HIS 10 1HB HIS 10 -0.648 -13.179 2.552 68 2HB HIS 10 2HB HIS 10 -1.633 -14.606 2.250 69 HD1 HIS 10 HD1 HIS 10 -2.166 -15.093 5.399 70 HD2 HIS 10 HD2 HIS 10 -2.856 -11.604 3.203 71 HE1 HIS 10 HE1 HIS 10 -3.938 -13.799 6.670 72 HE2 HIS 10 HE2 HIS 10 -4.392 -11.746 5.281 73 H HIS 11 H HIS 11 0.797 -14.584 1.312 74 HA HIS 11 HA HIS 11 1.710 -15.865 -0.330 75 1HB HIS 11 1HB HIS 11 2.480 -17.226 2.096 76 2HB HIS 11 2HB HIS 11 2.166 -18.397 0.820 77 HD1 HIS 11 HD1 HIS 11 3.405 -15.177 -0.434 78 HD2 HIS 11 HD2 HIS 11 5.038 -18.786 0.903 79 HE1 HIS 11 HE1 HIS 11 5.816 -15.194 -1.220 80 HE2 HIS 11 HE2 HIS 11 6.751 -17.408 -0.462 81 H HIS 12 H HIS 12 -0.502 -15.758 -1.158 82 HA HIS 12 HA HIS 12 -1.859 -18.373 -1.089 83 1HB HIS 12 1HB HIS 12 -3.841 -16.954 -1.985 84 2HB HIS 12 2HB HIS 12 -3.440 -16.872 -0.274 85 HD1 HIS 12 HD1 HIS 12 -2.120 -14.707 0.526 86 HD2 HIS 12 HD2 HIS 12 -3.712 -14.569 -3.337 87 HE1 HIS 12 HE1 HIS 12 -2.116 -12.262 -0.151 88 HE2 HIS 12 HE2 HIS 12 -3.149 -12.205 -2.450 89 H GLU 13 H GLU 13 -0.010 -16.336 -3.020 90 HA GLU 13 HA GLU 13 -0.473 -17.988 -5.339 91 1HB GLU 13 1HB GLU 13 -2.049 -15.782 -5.192 92 2HB GLU 13 2HB GLU 13 -0.644 -15.118 -6.014 93 1HG GLU 13 1HG GLU 13 -1.782 -17.674 -7.010 94 2HG GLU 13 2HG GLU 13 -2.654 -16.177 -7.338 95 H ASN 14 H ASN 14 1.292 -18.076 -6.673 96 HA ASN 14 HA ASN 14 3.754 -17.090 -5.642 97 1HB ASN 14 1HB ASN 14 3.028 -19.138 -7.336 98 2HB ASN 14 2HB ASN 14 3.814 -18.000 -8.426 99 1HD2 ASN 14 1HD2 ASN 14 4.806 -20.550 -7.811 100 2HD2 ASN 14 2HD2 ASN 14 6.304 -20.360 -6.973 101 H LEU 15 H LEU 15 4.807 -15.258 -6.068 102 HA LEU 15 HA LEU 15 3.653 -13.422 -8.024 103 1HB LEU 15 1HB LEU 15 5.123 -13.165 -5.519 104 2HB LEU 15 2HB LEU 15 5.734 -12.099 -6.770 105 HG LEU 15 HG LEU 15 2.819 -12.052 -6.557 106 1HD1 LEU 15 1HD1 LEU 15 2.534 -11.196 -4.445 107 2HD1 LEU 15 2HD1 LEU 15 4.228 -10.733 -4.285 108 3HD1 LEU 15 3HD1 LEU 15 3.761 -12.428 -4.150 109 1HD2 LEU 15 1HD2 LEU 15 4.913 -10.397 -7.418 110 2HD2 LEU 15 2HD2 LEU 15 4.167 -9.566 -6.053 111 3HD2 LEU 15 3HD2 LEU 15 3.185 -10.047 -7.437 112 H TYR 16 H TYR 16 5.310 -11.980 -9.157 113 HA TYR 16 HA TYR 16 7.720 -13.423 -9.953 114 1HB TYR 16 1HB TYR 16 5.370 -12.893 -11.685 115 2HB TYR 16 2HB TYR 16 6.955 -12.617 -12.398 116 HD1 TYR 16 HD1 TYR 16 8.661 -14.552 -12.223 117 HD2 TYR 16 HD2 TYR 16 4.477 -15.046 -11.632 118 HE1 TYR 16 HE1 TYR 16 8.890 -16.960 -12.665 119 HE2 TYR 16 HE2 TYR 16 4.693 -17.456 -12.070 120 HH TYR 16 HH TYR 16 7.818 -18.905 -12.934 121 H PHE 17 H PHE 17 5.905 -10.471 -9.690 122 HA PHE 17 HA PHE 17 8.007 -8.852 -10.861 123 1HB PHE 17 1HB PHE 17 5.442 -8.428 -10.976 124 2HB PHE 17 2HB PHE 17 5.648 -7.756 -9.362 125 HD1 PHE 17 HD1 PHE 17 6.819 -5.683 -9.015 126 HD2 PHE 17 HD2 PHE 17 6.423 -7.344 -12.913 127 HE1 PHE 17 HE1 PHE 17 7.530 -3.541 -9.996 128 HE2 PHE 17 HE2 PHE 17 7.133 -5.205 -13.901 129 HZ PHE 17 HZ PHE 17 7.688 -3.301 -12.442 130 H GLN 18 H GLN 18 6.343 -8.896 -7.705 131 HA GLN 18 HA GLN 18 7.112 -8.607 -5.579 132 1HB GLN 18 1HB GLN 18 9.939 -8.443 -6.593 133 2HB GLN 18 2HB GLN 18 9.370 -8.972 -5.018 134 1HG GLN 18 1HG GLN 18 8.776 -11.058 -5.779 135 2HG GLN 18 2HG GLN 18 8.602 -10.519 -7.449 136 1HE2 GLN 18 1HE2 GLN 18 9.895 -12.376 -7.982 137 2HE2 GLN 18 2HE2 GLN 18 11.616 -12.292 -7.849 138 H GLY 19 H GLY 19 6.186 -6.430 -6.946 139 1HA GLY 19 1HA GLY 19 7.649 -4.294 -5.615 140 2HA GLY 19 2HA GLY 19 7.538 -4.167 -7.364 141 H SER 20 H SER 20 5.539 -4.543 -4.452 142 HA SER 20 HA SER 20 3.707 -2.528 -5.415 143 1HB SER 20 1HB SER 20 1.712 -4.080 -5.088 144 2HB SER 20 2HB SER 20 2.682 -4.359 -6.535 145 HG SER 20 HG SER 20 2.800 -5.811 -4.099 146 H LYS 21 H LYS 21 3.925 -1.297 -3.633 147 HA LYS 21 HA LYS 21 4.212 -2.260 -1.006 148 1HB LYS 21 1HB LYS 21 3.405 0.440 -2.082 149 2HB LYS 21 2HB LYS 21 3.634 0.127 -0.367 150 1HG LYS 21 1HG LYS 21 5.848 -0.684 -2.135 151 2HG LYS 21 2HG LYS 21 5.564 1.051 -1.979 152 1HD LYS 21 1HD LYS 21 5.686 -0.689 0.454 153 2HD LYS 21 2HD LYS 21 7.172 -0.136 -0.321 154 1HE LYS 21 1HE LYS 21 4.947 1.684 0.587 155 2HE LYS 21 2HE LYS 21 6.386 1.322 1.542 156 1HZ LYS 21 1HZ LYS 21 7.361 2.086 -0.892 157 2HZ LYS 21 2HZ LYS 21 7.311 3.039 0.503 158 3HZ LYS 21 3HZ LYS 21 6.065 3.143 -0.637 159 H ARG 22 H ARG 22 1.681 0.060 -1.102 160 HA ARG 22 HA ARG 22 -0.184 -1.979 -0.111 161 1HB ARG 22 1HB ARG 22 -1.381 0.046 0.882 162 2HB ARG 22 2HB ARG 22 0.164 -0.390 1.597 163 1HG ARG 22 1HG ARG 22 1.221 1.352 0.136 164 2HG ARG 22 2HG ARG 22 -0.406 1.866 -0.301 165 1HD ARG 22 1HD ARG 22 -0.395 3.170 1.498 166 2HD ARG 22 2HD ARG 22 -0.405 1.708 2.485 167 HE ARG 22 HE ARG 22 2.225 2.358 1.643 168 1HH1 ARG 22 1HH1 ARG 22 -0.248 3.292 3.922 169 2HH1 ARG 22 2HH1 ARG 22 0.883 3.898 5.086 170 1HH2 ARG 22 1HH2 ARG 22 3.705 3.150 3.167 171 2HH2 ARG 22 2HH2 ARG 22 3.127 3.817 4.657 172 H LYS 23 H LYS 23 -2.260 -2.126 -0.924 173 HA LYS 23 HA LYS 23 -2.894 -0.400 -3.227 174 1HB LYS 23 1HB LYS 23 -3.387 -3.377 -3.021 175 2HB LYS 23 2HB LYS 23 -3.839 -2.355 -4.377 176 1HG LYS 23 1HG LYS 23 -0.997 -2.244 -3.662 177 2HG LYS 23 2HG LYS 23 -1.559 -3.821 -4.220 178 1HD LYS 23 1HD LYS 23 -2.662 -1.811 -5.913 179 2HD LYS 23 2HD LYS 23 -0.930 -1.526 -5.756 180 1HE LYS 23 1HE LYS 23 -0.903 -4.176 -6.139 181 2HE LYS 23 2HE LYS 23 -2.381 -3.774 -7.013 182 1HZ LYS 23 1HZ LYS 23 0.193 -2.381 -7.480 183 2HZ LYS 23 2HZ LYS 23 -1.201 -2.329 -8.436 184 3HZ LYS 23 3HZ LYS 23 -0.284 -3.747 -8.357 185 H ILE 24 H ILE 24 -4.710 0.747 -2.769 186 HA ILE 24 HA ILE 24 -6.672 -0.405 -0.916 187 HB ILE 24 HB ILE 24 -6.463 2.434 -1.926 188 1HG1 ILE 24 1HG1 ILE 24 -5.981 1.914 0.917 189 2HG1 ILE 24 2HG1 ILE 24 -4.769 1.201 -0.141 190 1HG2 ILE 24 1HG2 ILE 24 -8.645 2.344 -1.288 191 2HG2 ILE 24 2HG2 ILE 24 -7.917 2.661 0.286 192 3HG2 ILE 24 3HG2 ILE 24 -8.375 1.019 -0.157 193 1HD1 ILE 24 1HD1 ILE 24 -3.990 3.339 0.498 194 2HD1 ILE 24 2HD1 ILE 24 -5.535 4.095 0.106 195 3HD1 ILE 24 3HD1 ILE 24 -4.507 3.468 -1.183 196 H ILE 25 H ILE 25 -8.981 -0.268 -1.428 197 HA ILE 25 HA ILE 25 -9.507 -0.147 -4.317 198 HB ILE 25 HB ILE 25 -10.047 -2.303 -4.190 199 1HG1 ILE 25 1HG1 ILE 25 -12.343 -1.220 -4.078 200 2HG1 ILE 25 2HG1 ILE 25 -12.248 -2.894 -3.557 201 1HG2 ILE 25 1HG2 ILE 25 -10.283 -2.130 -1.211 202 2HG2 ILE 25 2HG2 ILE 25 -8.794 -2.424 -2.092 203 3HG2 ILE 25 3HG2 ILE 25 -10.110 -3.593 -2.177 204 1HD1 ILE 25 1HD1 ILE 25 -13.361 -0.746 -2.178 205 2HD1 ILE 25 2HD1 ILE 25 -11.877 -1.152 -1.317 206 3HD1 ILE 25 3HD1 ILE 25 -13.104 -2.388 -1.588 207 H VAL 26 H VAL 26 -11.407 0.777 -5.005 208 HA VAL 26 HA VAL 26 -13.001 2.142 -2.940 209 HB VAL 26 HB VAL 26 -12.452 3.325 -5.653 210 1HG1 VAL 26 1HG1 VAL 26 -13.148 4.826 -3.166 211 2HG1 VAL 26 2HG1 VAL 26 -14.407 3.999 -4.084 212 3HG1 VAL 26 3HG1 VAL 26 -13.435 5.255 -4.853 213 1HG2 VAL 26 1HG2 VAL 26 -10.779 4.767 -4.591 214 2HG2 VAL 26 2HG2 VAL 26 -10.303 3.070 -4.543 215 3HG2 VAL 26 3HG2 VAL 26 -10.941 3.848 -3.095 216 H ALA 27 H ALA 27 -14.985 1.337 -2.970 217 HA ALA 27 HA ALA 27 -16.162 0.682 -5.580 218 1HB ALA 27 1HB ALA 27 -16.257 -0.859 -3.019 219 2HB ALA 27 2HB ALA 27 -15.849 -1.416 -4.641 220 3HB ALA 27 3HB ALA 27 -17.523 -1.040 -4.233 221 H CYS 28 H CYS 28 -17.897 1.732 -6.085 222 HA CYS 28 HA CYS 28 -19.514 2.940 -3.937 223 1HB CYS 28 1HB CYS 28 -17.924 4.399 -5.503 224 2HB CYS 28 2HB CYS 28 -19.311 4.297 -6.580 225 HG CYS 28 HG CYS 28 -20.528 5.253 -4.180 226 H GLY 29 H GLY 29 -21.673 3.788 -4.972 227 1HA GLY 29 1HA GLY 29 -22.691 2.114 -7.104 228 2HA GLY 29 2HA GLY 29 -23.355 1.759 -5.516 229 H GLY 30 H GLY 30 -22.855 4.426 -7.810 230 1HA GLY 30 1HA GLY 30 -25.486 5.270 -7.898 231 2HA GLY 30 2HA GLY 30 -24.750 6.151 -6.568 232 H ALA 31 H ALA 31 -23.907 8.066 -7.071 233 HA ALA 31 HA ALA 31 -23.748 8.937 -9.777 234 1HB ALA 31 1HB ALA 31 -22.320 10.723 -8.102 235 2HB ALA 31 2HB ALA 31 -23.727 10.148 -7.209 236 3HB ALA 31 3HB ALA 31 -23.932 10.910 -8.786 237 H VAL 32 H VAL 32 -22.127 8.807 -11.160 238 HA VAL 32 HA VAL 32 -19.795 7.344 -10.658 239 HB VAL 32 HB VAL 32 -20.022 9.372 -12.871 240 1HG1 VAL 32 1HG1 VAL 32 -18.363 8.235 -13.900 241 2HG1 VAL 32 2HG1 VAL 32 -18.907 6.673 -13.290 242 3HG1 VAL 32 3HG1 VAL 32 -17.976 7.750 -12.249 243 1HG2 VAL 32 1HG2 VAL 32 -21.859 7.276 -12.339 244 2HG2 VAL 32 2HG2 VAL 32 -20.898 6.806 -13.740 245 3HG2 VAL 32 3HG2 VAL 32 -21.779 8.333 -13.748 246 H ALA 33 H ALA 33 -20.284 10.856 -10.864 247 HA ALA 33 HA ALA 33 -17.653 11.691 -10.661 248 1HB ALA 33 1HB ALA 33 -18.788 13.706 -9.411 249 2HB ALA 33 2HB ALA 33 -20.270 12.902 -9.929 250 3HB ALA 33 3HB ALA 33 -19.081 13.417 -11.126 251 H THR 34 H THR 34 -19.708 10.324 -8.234 252 HA THR 34 HA THR 34 -18.339 11.284 -5.942 253 HB THR 34 HB THR 34 -19.872 8.691 -6.091 254 HG1 THR 34 HG1 THR 34 -21.010 10.539 -7.049 255 1HG2 THR 34 1HG2 THR 34 -20.302 10.520 -3.870 256 2HG2 THR 34 2HG2 THR 34 -18.667 9.867 -3.961 257 3HG2 THR 34 3HG2 THR 34 -20.052 8.776 -3.875 258 H SER 35 H SER 35 -18.307 8.099 -7.517 259 HA SER 35 HA SER 35 -16.326 6.916 -5.991 260 1HB SER 35 1HB SER 35 -15.967 5.874 -8.559 261 2HB SER 35 2HB SER 35 -17.048 5.251 -7.313 262 HG SER 35 HG SER 35 -18.732 6.232 -8.252 263 H THR 36 H THR 36 -16.014 8.911 -8.899 264 HA THR 36 HA THR 36 -13.158 8.653 -8.999 265 HB THR 36 HB THR 36 -14.417 9.060 -11.045 266 HG1 THR 36 HG1 THR 36 -13.215 10.918 -11.764 267 1HG2 THR 36 1HG2 THR 36 -16.262 10.342 -10.572 268 2HG2 THR 36 2HG2 THR 36 -15.202 11.502 -11.371 269 3HG2 THR 36 3HG2 THR 36 -15.345 11.502 -9.613 270 H MET 37 H MET 37 -15.451 10.880 -7.574 271 HA MET 37 HA MET 37 -13.888 13.113 -7.126 272 1HB MET 37 1HB MET 37 -16.262 13.028 -6.549 273 2HB MET 37 2HB MET 37 -15.924 11.885 -5.257 274 1HG MET 37 1HG MET 37 -15.980 13.747 -4.000 275 2HG MET 37 2HG MET 37 -14.299 13.873 -4.514 276 1HE MET 37 1HE MET 37 -17.511 15.795 -4.121 277 2HE MET 37 2HE MET 37 -17.955 14.805 -5.511 278 3HE MET 37 3HE MET 37 -17.798 16.553 -5.688 279 H ALA 38 H ALA 38 -14.257 10.300 -4.970 280 HA ALA 38 HA ALA 38 -12.311 11.132 -3.111 281 1HB ALA 38 1HB ALA 38 -14.147 9.119 -3.197 282 2HB ALA 38 2HB ALA 38 -12.868 9.265 -1.992 283 3HB ALA 38 3HB ALA 38 -12.636 8.231 -3.401 284 H ALA 39 H ALA 39 -12.124 8.677 -5.693 285 HA ALA 39 HA ALA 39 -9.535 7.887 -5.539 286 1HB ALA 39 1HB ALA 39 -11.007 8.518 -8.094 287 2HB ALA 39 2HB ALA 39 -11.121 7.016 -7.176 288 3HB ALA 39 3HB ALA 39 -9.597 7.469 -7.940 289 H GLU 40 H GLU 40 -10.577 10.651 -7.560 290 HA GLU 40 HA GLU 40 -8.006 11.513 -8.238 291 1HB GLU 40 1HB GLU 40 -10.287 12.226 -9.209 292 2HB GLU 40 2HB GLU 40 -10.323 13.404 -7.903 293 1HG GLU 40 1HG GLU 40 -7.873 13.885 -8.907 294 2HG GLU 40 2HG GLU 40 -8.710 13.345 -10.362 295 H GLU 41 H GLU 41 -9.937 12.070 -5.386 296 HA GLU 41 HA GLU 41 -8.381 14.235 -4.366 297 1HB GLU 41 1HB GLU 41 -10.564 12.492 -3.349 298 2HB GLU 41 2HB GLU 41 -9.564 13.304 -2.154 299 1HG GLU 41 1HG GLU 41 -10.495 15.042 -4.314 300 2HG GLU 41 2HG GLU 41 -11.783 14.349 -3.329 301 H ILE 42 H ILE 42 -8.565 10.767 -3.535 302 HA ILE 42 HA ILE 42 -6.522 10.821 -1.605 303 HB ILE 42 HB ILE 42 -7.040 8.405 -3.317 304 1HG1 ILE 42 1HG1 ILE 42 -9.245 9.266 -2.674 305 2HG1 ILE 42 2HG1 ILE 42 -8.876 7.791 -1.798 306 1HG2 ILE 42 1HG2 ILE 42 -5.314 8.790 -1.285 307 2HG2 ILE 42 2HG2 ILE 42 -6.038 7.231 -1.678 308 3HG2 ILE 42 3HG2 ILE 42 -6.728 8.226 -0.396 309 1HD1 ILE 42 1HD1 ILE 42 -7.957 9.860 -0.172 310 2HD1 ILE 42 2HD1 ILE 42 -9.389 8.859 0.060 311 3HD1 ILE 42 3HD1 ILE 42 -9.519 10.396 -0.794 312 H LYS 43 H LYS 43 -6.444 10.587 -5.087 313 HA LYS 43 HA LYS 43 -3.783 9.673 -5.366 314 1HB LYS 43 1HB LYS 43 -5.854 10.082 -7.079 315 2HB LYS 43 2HB LYS 43 -4.825 11.452 -7.474 316 1HG LYS 43 1HG LYS 43 -3.053 10.074 -8.142 317 2HG LYS 43 2HG LYS 43 -3.753 8.654 -7.360 318 1HD LYS 43 1HD LYS 43 -5.714 9.458 -9.138 319 2HD LYS 43 2HD LYS 43 -4.212 9.736 -10.021 320 1HE LYS 43 1HE LYS 43 -4.190 7.197 -8.622 321 2HE LYS 43 2HE LYS 43 -5.555 7.322 -9.731 322 1HZ LYS 43 1HZ LYS 43 -2.949 8.169 -10.731 323 2HZ LYS 43 2HZ LYS 43 -4.207 7.371 -11.532 324 3HZ LYS 43 3HZ LYS 43 -3.177 6.507 -10.505 325 H GLU 44 H GLU 44 -5.122 12.962 -5.786 326 HA GLU 44 HA GLU 44 -2.737 14.311 -6.154 327 1HB GLU 44 1HB GLU 44 -3.912 16.322 -5.325 328 2HB GLU 44 2HB GLU 44 -4.878 15.407 -6.474 329 1HG GLU 44 1HG GLU 44 -6.430 14.834 -4.927 330 2HG GLU 44 2HG GLU 44 -5.262 14.792 -3.609 331 H LEU 45 H LEU 45 -4.228 13.185 -3.195 332 HA LEU 45 HA LEU 45 -2.543 14.627 -1.426 333 1HB LEU 45 1HB LEU 45 -4.813 13.363 -1.034 334 2HB LEU 45 2HB LEU 45 -3.761 12.008 -0.670 335 HG LEU 45 HG LEU 45 -3.599 14.681 0.719 336 1HD1 LEU 45 1HD1 LEU 45 -5.600 12.740 0.981 337 2HD1 LEU 45 2HD1 LEU 45 -5.266 14.098 2.055 338 3HD1 LEU 45 3HD1 LEU 45 -4.533 12.525 2.369 339 1HD2 LEU 45 1HD2 LEU 45 -2.461 12.017 1.533 340 2HD2 LEU 45 2HD2 LEU 45 -2.163 13.589 2.273 341 3HD2 LEU 45 3HD2 LEU 45 -1.547 13.242 0.661 342 H CYS 46 H CYS 46 -2.547 11.179 -2.360 343 HA CYS 46 HA CYS 46 -0.321 10.304 -1.055 344 1HB CYS 46 1HB CYS 46 -1.826 9.476 -3.384 345 2HB CYS 46 2HB CYS 46 -0.116 9.109 -3.582 346 HG CYS 46 HG CYS 46 -0.756 8.041 -0.958 347 H GLN 47 H GLN 47 -0.405 12.101 -4.100 348 HA GLN 47 HA GLN 47 2.402 11.964 -4.568 349 1HB GLN 47 1HB GLN 47 0.321 13.877 -5.642 350 2HB GLN 47 2HB GLN 47 1.971 13.749 -6.238 351 1HG GLN 47 1HG GLN 47 0.942 11.150 -6.297 352 2HG GLN 47 2HG GLN 47 -0.341 12.192 -6.911 353 1HE2 GLN 47 1HE2 GLN 47 0.233 13.668 -8.655 354 2HE2 GLN 47 2HE2 GLN 47 1.423 13.180 -9.807 355 H SER 48 H SER 48 0.265 14.366 -3.113 356 HA SER 48 HA SER 48 1.986 16.483 -2.765 357 1HB SER 48 1HB SER 48 -0.139 17.015 -2.072 358 2HB SER 48 2HB SER 48 -0.377 15.468 -1.261 359 HG SER 48 HG SER 48 1.179 17.659 -0.347 360 H HIS 49 H HIS 49 1.651 13.614 -0.712 361 HA HIS 49 HA HIS 49 3.894 14.523 0.936 362 1HB HIS 49 1HB HIS 49 1.848 13.737 2.066 363 2HB HIS 49 2HB HIS 49 2.039 12.167 1.304 364 HD1 HIS 49 HD1 HIS 49 2.299 10.875 3.481 365 HD2 HIS 49 HD2 HIS 49 5.093 13.947 2.996 366 HE1 HIS 49 HE1 HIS 49 4.027 10.552 5.310 367 HE2 HIS 49 HE2 HIS 49 5.627 12.482 5.060 368 H ASN 50 H ASN 50 3.554 12.850 -1.854 369 HA ASN 50 HA ASN 50 4.838 11.404 -3.035 370 1HB ASN 50 1HB ASN 50 6.844 12.282 -0.956 371 2HB ASN 50 2HB ASN 50 7.264 11.259 -2.326 372 1HD2 ASN 50 1HD2 ASN 50 8.742 13.059 -2.770 373 2HD2 ASN 50 2HD2 ASN 50 8.154 14.403 -3.684 374 H ILE 51 H ILE 51 3.129 9.970 -1.680 375 HA ILE 51 HA ILE 51 4.673 7.871 -0.296 376 HB ILE 51 HB ILE 51 1.681 8.070 -0.167 377 1HG1 ILE 51 1HG1 ILE 51 3.229 9.146 2.117 378 2HG1 ILE 51 2HG1 ILE 51 3.158 10.172 0.688 379 1HG2 ILE 51 1HG2 ILE 51 3.339 6.120 0.620 380 2HG2 ILE 51 2HG2 ILE 51 1.813 6.479 1.427 381 3HG2 ILE 51 3HG2 ILE 51 3.326 7.103 2.083 382 1HD1 ILE 51 1HD1 ILE 51 1.323 10.184 2.654 383 2HD1 ILE 51 2HD1 ILE 51 0.594 9.026 1.543 384 3HD1 ILE 51 3HD1 ILE 51 0.985 10.650 0.988 385 HA PRO 52 HA PRO 52 3.882 5.830 -4.320 386 1HB PRO 52 1HB PRO 52 5.394 3.735 -2.837 387 2HB PRO 52 2HB PRO 52 5.618 4.330 -4.485 388 1HG PRO 52 1HG PRO 52 7.291 5.054 -2.548 389 2HG PRO 52 2HG PRO 52 6.781 6.214 -3.790 390 1HD PRO 52 1HD PRO 52 5.902 5.970 -0.946 391 2HD PRO 52 2HD PRO 52 6.144 7.425 -1.933 392 H VAL 53 H VAL 53 1.775 5.244 -4.368 393 HA VAL 53 HA VAL 53 1.032 2.730 -3.109 394 HB VAL 53 HB VAL 53 -0.639 5.210 -2.654 395 1HG1 VAL 53 1HG1 VAL 53 -1.031 2.312 -1.985 396 2HG1 VAL 53 2HG1 VAL 53 -2.124 3.406 -2.825 397 3HG1 VAL 53 3HG1 VAL 53 -1.856 3.589 -1.092 398 1HG2 VAL 53 1HG2 VAL 53 -0.096 4.523 -0.194 399 2HG2 VAL 53 2HG2 VAL 53 1.061 5.481 -1.118 400 3HG2 VAL 53 3HG2 VAL 53 1.307 3.746 -0.924 401 H GLU 54 H GLU 54 -1.041 1.883 -3.949 402 HA GLU 54 HA GLU 54 -1.763 3.035 -6.563 403 1HB GLU 54 1HB GLU 54 -1.840 0.077 -6.138 404 2HB GLU 54 2HB GLU 54 -1.684 0.976 -7.635 405 1HG GLU 54 1HG GLU 54 0.558 1.255 -5.745 406 2HG GLU 54 2HG GLU 54 0.334 -0.344 -6.445 407 H LEU 55 H LEU 55 -3.851 3.576 -6.625 408 HA LEU 55 HA LEU 55 -5.705 2.296 -4.746 409 1HB LEU 55 1HB LEU 55 -5.242 4.893 -5.101 410 2HB LEU 55 2HB LEU 55 -6.463 4.690 -6.342 411 HG LEU 55 HG LEU 55 -7.762 3.529 -4.311 412 1HD1 LEU 55 1HD1 LEU 55 -7.330 4.516 -2.219 413 2HD1 LEU 55 2HD1 LEU 55 -6.214 5.691 -2.914 414 3HD1 LEU 55 3HD1 LEU 55 -5.759 3.991 -2.823 415 1HD2 LEU 55 1HD2 LEU 55 -9.083 5.421 -4.244 416 2HD2 LEU 55 2HD2 LEU 55 -8.255 5.613 -5.788 417 3HD2 LEU 55 3HD2 LEU 55 -7.709 6.516 -4.376 418 H ILE 56 H ILE 56 -7.118 0.840 -5.460 419 HA ILE 56 HA ILE 56 -7.713 0.703 -8.336 420 HB ILE 56 HB ILE 56 -6.773 -1.345 -7.272 421 1HG1 ILE 56 1HG1 ILE 56 -9.407 -2.374 -7.946 422 2HG1 ILE 56 2HG1 ILE 56 -8.881 -1.133 -9.078 423 1HG2 ILE 56 1HG2 ILE 56 -8.014 -0.962 -5.092 424 2HG2 ILE 56 2HG2 ILE 56 -7.933 -2.616 -5.680 425 3HG2 ILE 56 3HG2 ILE 56 -9.411 -1.677 -5.886 426 1HD1 ILE 56 1HD1 ILE 56 -6.817 -3.092 -8.454 427 2HD1 ILE 56 2HD1 ILE 56 -7.369 -2.474 -10.010 428 3HD1 ILE 56 3HD1 ILE 56 -8.251 -3.778 -9.218 429 H GLN 57 H GLN 57 -9.885 0.425 -9.075 430 HA GLN 57 HA GLN 57 -11.944 1.222 -7.128 431 1HB GLN 57 1HB GLN 57 -13.053 2.384 -9.090 432 2HB GLN 57 2HB GLN 57 -11.579 3.140 -8.498 433 1HG GLN 57 1HG GLN 57 -10.335 2.441 -10.340 434 2HG GLN 57 2HG GLN 57 -11.516 1.211 -10.786 435 1HE2 GLN 57 1HE2 GLN 57 -10.355 4.242 -11.476 436 2HE2 GLN 57 2HE2 GLN 57 -11.676 4.834 -12.418 437 H CYS 58 H CYS 58 -13.636 -0.138 -7.020 438 HA CYS 58 HA CYS 58 -14.365 -1.742 -9.339 439 1HB CYS 58 1HB CYS 58 -12.906 -2.789 -7.089 440 2HB CYS 58 2HB CYS 58 -14.499 -3.533 -7.166 441 HG CYS 58 HG CYS 58 -13.751 -4.036 -9.781 442 H ARG 59 H ARG 59 -16.451 -3.002 -8.852 443 HA ARG 59 HA ARG 59 -18.340 -1.169 -7.734 444 1HB ARG 59 1HB ARG 59 -18.380 -3.269 -9.602 445 2HB ARG 59 2HB ARG 59 -19.442 -3.777 -8.296 446 1HG ARG 59 1HG ARG 59 -20.463 -1.415 -8.531 447 2HG ARG 59 2HG ARG 59 -19.671 -1.413 -10.107 448 1HD ARG 59 1HD ARG 59 -20.819 -3.594 -10.576 449 2HD ARG 59 2HD ARG 59 -21.737 -3.350 -9.092 450 HE ARG 59 HE ARG 59 -21.811 -1.386 -11.283 451 1HH1 ARG 59 1HH1 ARG 59 -23.460 -3.520 -9.055 452 2HH1 ARG 59 2HH1 ARG 59 -25.031 -2.931 -9.470 453 1HH2 ARG 59 1HH2 ARG 59 -23.883 -0.622 -11.822 454 2HH2 ARG 59 2HH2 ARG 59 -25.274 -1.292 -11.035 455 H VAL 60 H VAL 60 -20.243 -2.942 -6.659 456 HA VAL 60 HA VAL 60 -19.121 -3.315 -4.008 457 HB VAL 60 HB VAL 60 -21.954 -4.013 -4.656 458 1HG1 VAL 60 1HG1 VAL 60 -22.066 -2.625 -2.395 459 2HG1 VAL 60 2HG1 VAL 60 -20.376 -3.123 -2.309 460 3HG1 VAL 60 3HG1 VAL 60 -21.649 -4.338 -2.427 461 1HG2 VAL 60 1HG2 VAL 60 -22.330 -1.459 -4.083 462 2HG2 VAL 60 2HG2 VAL 60 -22.083 -2.005 -5.742 463 3HG2 VAL 60 3HG2 VAL 60 -20.742 -1.303 -4.836 464 H ASN 61 H ASN 61 -19.806 -5.232 -6.755 465 HA ASN 61 HA ASN 61 -19.394 -7.668 -5.156 466 1HB ASN 61 1HB ASN 61 -21.791 -7.209 -6.161 467 2HB ASN 61 2HB ASN 61 -21.044 -7.779 -7.651 468 1HD2 ASN 61 1HD2 ASN 61 -22.847 -8.728 -5.140 469 2HD2 ASN 61 2HD2 ASN 61 -22.421 -10.401 -5.065 470 H GLU 62 H GLU 62 -17.172 -6.832 -5.921 471 HA GLU 62 HA GLU 62 -16.272 -8.575 -7.996 472 1HB GLU 62 1HB GLU 62 -17.121 -6.067 -8.859 473 2HB GLU 62 2HB GLU 62 -15.373 -5.916 -8.758 474 1HG GLU 62 1HG GLU 62 -15.145 -6.992 -10.670 475 2HG GLU 62 2HG GLU 62 -15.982 -8.393 -10.005 476 H ILE 63 H ILE 63 -15.640 -5.969 -5.750 477 HA ILE 63 HA ILE 63 -12.864 -5.909 -5.775 478 HB ILE 63 HB ILE 63 -13.104 -5.190 -3.347 479 1HG1 ILE 63 1HG1 ILE 63 -15.853 -4.577 -3.360 480 2HG1 ILE 63 2HG1 ILE 63 -15.748 -6.274 -3.814 481 1HG2 ILE 63 1HG2 ILE 63 -14.108 -3.054 -3.962 482 2HG2 ILE 63 2HG2 ILE 63 -14.776 -3.780 -5.420 483 3HG2 ILE 63 3HG2 ILE 63 -13.028 -3.632 -5.232 484 1HD1 ILE 63 1HD1 ILE 63 -14.002 -5.854 -1.628 485 2HD1 ILE 63 2HD1 ILE 63 -15.481 -6.813 -1.694 486 3HD1 ILE 63 3HD1 ILE 63 -15.553 -5.110 -1.245 487 H GLU 64 H GLU 64 -15.072 -8.181 -4.284 488 HA GLU 64 HA GLU 64 -13.254 -9.454 -2.547 489 1HB GLU 64 1HB GLU 64 -15.598 -10.767 -3.920 490 2HB GLU 64 2HB GLU 64 -14.872 -11.209 -2.381 491 1HG GLU 64 1HG GLU 64 -15.566 -8.892 -1.586 492 2HG GLU 64 2HG GLU 64 -16.577 -8.834 -3.029 493 H THR 65 H THR 65 -14.121 -10.043 -5.925 494 HA THR 65 HA THR 65 -12.449 -12.369 -6.137 495 HB THR 65 HB THR 65 -13.034 -12.374 -8.478 496 HG1 THR 65 HG1 THR 65 -13.829 -9.721 -7.966 497 1HG2 THR 65 1HG2 THR 65 -15.303 -11.648 -6.665 498 2HG2 THR 65 2HG2 THR 65 -14.839 -13.234 -7.279 499 3HG2 THR 65 3HG2 THR 65 -15.554 -12.042 -8.365 500 H TYR 66 H TYR 66 -12.160 -8.938 -6.945 501 HA TYR 66 HA TYR 66 -9.591 -9.300 -8.200 502 1HB TYR 66 1HB TYR 66 -11.291 -6.909 -7.535 503 2HB TYR 66 2HB TYR 66 -9.632 -6.718 -8.092 504 HD1 TYR 66 HD1 TYR 66 -9.229 -6.550 -10.369 505 HD2 TYR 66 HD2 TYR 66 -12.818 -8.415 -9.051 506 HE1 TYR 66 HE1 TYR 66 -9.992 -6.719 -12.701 507 HE2 TYR 66 HE2 TYR 66 -13.590 -8.590 -11.378 508 HH TYR 66 HH TYR 66 -12.792 -8.554 -13.595 509 H MET 67 H MET 67 -10.282 -9.776 -5.153 510 HA MET 67 HA MET 67 -8.522 -7.983 -3.781 511 1HB MET 67 1HB MET 67 -10.373 -10.100 -3.092 512 2HB MET 67 2HB MET 67 -8.872 -10.279 -2.197 513 1HG MET 67 1HG MET 67 -10.445 -7.722 -2.306 514 2HG MET 67 2HG MET 67 -10.642 -8.949 -1.059 515 1HE MET 67 1HE MET 67 -7.432 -9.417 0.480 516 2HE MET 67 2HE MET 67 -9.163 -9.750 0.403 517 3HE MET 67 3HE MET 67 -8.558 -8.468 1.452 518 H ASP 68 H ASP 68 -7.068 -8.975 -5.885 519 HA ASP 68 HA ASP 68 -5.581 -11.294 -5.326 520 1HB ASP 68 1HB ASP 68 -5.714 -9.364 -7.391 521 2HB ASP 68 2HB ASP 68 -4.032 -9.436 -6.874 522 H GLY 69 H GLY 69 -5.004 -7.884 -4.610 523 1HA GLY 69 1HA GLY 69 -3.287 -8.585 -2.411 524 2HA GLY 69 2HA GLY 69 -2.414 -7.871 -3.759 525 H VAL 70 H VAL 70 -5.251 -7.302 -1.690 526 HA VAL 70 HA VAL 70 -4.843 -4.409 -2.001 527 HB VAL 70 HB VAL 70 -7.194 -5.867 -0.830 528 1HG1 VAL 70 1HG1 VAL 70 -8.347 -3.806 -0.879 529 2HG1 VAL 70 2HG1 VAL 70 -7.021 -3.012 -1.730 530 3HG1 VAL 70 3HG1 VAL 70 -6.815 -3.538 -0.061 531 1HG2 VAL 70 1HG2 VAL 70 -7.692 -6.410 -2.937 532 2HG2 VAL 70 2HG2 VAL 70 -6.448 -5.347 -3.591 533 3HG2 VAL 70 3HG2 VAL 70 -8.035 -4.698 -3.179 534 H HIS 71 H HIS 71 -4.151 -3.194 -0.350 535 HA HIS 71 HA HIS 71 -3.680 -4.500 2.221 536 1HB HIS 71 1HB HIS 71 -2.634 -1.924 1.046 537 2HB HIS 71 2HB HIS 71 -2.280 -2.467 2.685 538 HD1 HIS 71 HD1 HIS 71 -2.275 -4.441 -0.574 539 HD2 HIS 71 HD2 HIS 71 0.283 -3.326 2.538 540 HE1 HIS 71 HE1 HIS 71 -0.078 -5.629 -1.009 541 HE2 HIS 71 HE2 HIS 71 1.429 -4.971 0.902 542 H LEU 72 H LEU 72 -5.800 -2.260 0.761 543 HA LEU 72 HA LEU 72 -7.140 -1.819 3.292 544 1HB LEU 72 1HB LEU 72 -5.860 0.354 1.679 545 2HB LEU 72 2HB LEU 72 -7.292 0.695 2.628 546 HG LEU 72 HG LEU 72 -5.575 -0.601 4.403 547 1HD1 LEU 72 1HD1 LEU 72 -4.043 1.399 2.747 548 2HD1 LEU 72 2HD1 LEU 72 -3.726 -0.334 2.844 549 3HD1 LEU 72 3HD1 LEU 72 -3.500 0.685 4.266 550 1HD2 LEU 72 1HD2 LEU 72 -5.282 1.824 5.248 551 2HD2 LEU 72 2HD2 LEU 72 -6.899 1.121 5.218 552 3HD2 LEU 72 3HD2 LEU 72 -6.401 2.241 3.949 553 H ILE 73 H ILE 73 -9.339 -1.317 3.047 554 HA ILE 73 HA ILE 73 -10.339 -1.280 0.275 555 HB ILE 73 HB ILE 73 -12.377 -2.480 1.647 556 1HG1 ILE 73 1HG1 ILE 73 -10.568 -2.624 3.532 557 2HG1 ILE 73 2HG1 ILE 73 -11.627 -3.977 3.227 558 1HG2 ILE 73 1HG2 ILE 73 -10.113 -3.769 0.135 559 2HG2 ILE 73 2HG2 ILE 73 -11.653 -3.205 -0.513 560 3HG2 ILE 73 3HG2 ILE 73 -11.610 -4.590 0.573 561 1HD1 ILE 73 1HD1 ILE 73 -9.878 -5.083 1.952 562 2HD1 ILE 73 2HD1 ILE 73 -9.320 -4.686 3.575 563 3HD1 ILE 73 3HD1 ILE 73 -8.814 -3.700 2.204 564 H CYS 74 H CYS 74 -11.829 0.236 -0.167 565 HA CYS 74 HA CYS 74 -13.096 1.626 2.095 566 1HB CYS 74 1HB CYS 74 -11.144 2.763 0.617 567 2HB CYS 74 2HB CYS 74 -12.542 3.195 -0.359 568 HG CYS 74 HG CYS 74 -11.908 4.987 1.564 569 H THR 75 H THR 75 -15.154 0.924 1.976 570 HA THR 75 HA THR 75 -16.624 1.496 -0.485 571 HB THR 75 HB THR 75 -17.125 -1.096 0.949 572 HG1 THR 75 HG1 THR 75 -15.772 -1.534 -1.300 573 1HG2 THR 75 1HG2 THR 75 -18.084 0.178 -1.504 574 2HG2 THR 75 2HG2 THR 75 -18.832 -1.057 -0.491 575 3HG2 THR 75 3HG2 THR 75 -17.622 -1.515 -1.688 576 H THR 76 H THR 76 -18.937 1.631 -0.173 577 HA THR 76 HA THR 76 -19.571 2.633 2.491 578 HB THR 76 HB THR 76 -21.646 2.790 0.409 579 HG1 THR 76 HG1 THR 76 -20.466 4.445 -0.710 580 1HG2 THR 76 1HG2 THR 76 -21.280 4.096 2.693 581 2HG2 THR 76 2HG2 THR 76 -22.112 4.808 1.310 582 3HG2 THR 76 3HG2 THR 76 -20.417 5.189 1.612 583 H ALA 77 H ALA 77 -19.481 0.318 3.227 584 HA ALA 77 HA ALA 77 -22.061 -0.631 3.767 585 1HB ALA 77 1HB ALA 77 -20.642 -1.996 1.503 586 2HB ALA 77 2HB ALA 77 -22.314 -1.441 1.591 587 3HB ALA 77 3HB ALA 77 -21.804 -2.855 2.512 588 H ARG 78 H ARG 78 -21.914 -3.016 4.640 589 HA ARG 78 HA ARG 78 -19.377 -3.245 6.124 590 1HB ARG 78 1HB ARG 78 -22.043 -3.001 7.090 591 2HB ARG 78 2HB ARG 78 -21.484 -4.623 7.476 592 1HG ARG 78 1HG ARG 78 -19.997 -3.896 8.996 593 2HG ARG 78 2HG ARG 78 -19.575 -2.462 8.057 594 1HD ARG 78 1HD ARG 78 -20.743 -2.015 10.239 595 2HD ARG 78 2HD ARG 78 -21.495 -1.293 8.818 596 HE ARG 78 HE ARG 78 -22.722 -3.739 9.180 597 1HH1 ARG 78 1HH1 ARG 78 -22.337 -0.797 11.012 598 2HH1 ARG 78 2HH1 ARG 78 -23.860 -0.954 11.822 599 1HH2 ARG 78 1HH2 ARG 78 -24.724 -3.950 10.241 600 2HH2 ARG 78 2HH2 ARG 78 -25.215 -2.746 11.385 601 H VAL 79 H VAL 79 -18.596 -4.575 4.399 602 HA VAL 79 HA VAL 79 -19.855 -7.214 4.164 603 HB VAL 79 HB VAL 79 -17.499 -6.259 2.549 604 1HG1 VAL 79 1HG1 VAL 79 -19.648 -8.309 2.013 605 2HG1 VAL 79 2HG1 VAL 79 -17.980 -8.649 2.468 606 3HG1 VAL 79 3HG1 VAL 79 -18.331 -7.889 0.919 607 1HG2 VAL 79 1HG2 VAL 79 -18.738 -4.842 1.373 608 2HG2 VAL 79 2HG2 VAL 79 -20.047 -5.071 2.533 609 3HG2 VAL 79 3HG2 VAL 79 -19.960 -6.080 1.090 610 H ASP 80 H ASP 80 -18.236 -6.233 6.497 611 HA ASP 80 HA ASP 80 -15.782 -7.717 6.421 612 1HB ASP 80 1HB ASP 80 -16.237 -5.609 7.782 613 2HB ASP 80 2HB ASP 80 -17.134 -6.642 8.889 614 H ARG 81 H ARG 81 -18.898 -8.746 6.617 615 HA ARG 81 HA ARG 81 -18.348 -10.898 8.529 616 1HB ARG 81 1HB ARG 81 -20.601 -9.368 8.129 617 2HB ARG 81 2HB ARG 81 -20.993 -10.847 7.263 618 1HG ARG 81 1HG ARG 81 -21.752 -11.478 9.283 619 2HG ARG 81 2HG ARG 81 -20.059 -11.907 9.538 620 1HD ARG 81 1HD ARG 81 -21.443 -9.370 10.386 621 2HD ARG 81 2HD ARG 81 -20.853 -10.655 11.436 622 HE ARG 81 HE ARG 81 -18.579 -10.026 10.602 623 1HH1 ARG 81 1HH1 ARG 81 -21.182 -7.685 10.591 624 2HH1 ARG 81 2HH1 ARG 81 -20.117 -6.329 10.719 625 1HH2 ARG 81 1HH2 ARG 81 -17.196 -8.238 10.773 626 2HH2 ARG 81 2HH2 ARG 81 -17.860 -6.640 10.823 627 H SER 82 H SER 82 -17.079 -10.815 5.928 628 HA SER 82 HA SER 82 -17.979 -13.418 4.953 629 1HB SER 82 1HB SER 82 -19.077 -12.183 3.324 630 2HB SER 82 2HB SER 82 -17.881 -10.888 3.352 631 HG SER 82 HG SER 82 -17.171 -13.463 2.457 632 H PHE 83 H PHE 83 -15.531 -10.858 4.810 633 HA PHE 83 HA PHE 83 -13.514 -12.635 3.761 634 1HB PHE 83 1HB PHE 83 -13.048 -9.903 4.948 635 2HB PHE 83 2HB PHE 83 -12.063 -10.753 3.761 636 HD1 PHE 83 HD1 PHE 83 -12.730 -10.851 1.431 637 HD2 PHE 83 HD2 PHE 83 -15.058 -8.755 4.308 638 HE1 PHE 83 HE1 PHE 83 -13.943 -9.716 -0.386 639 HE2 PHE 83 HE2 PHE 83 -16.274 -7.620 2.498 640 HZ PHE 83 HZ PHE 83 -15.723 -8.095 0.153 641 H GLY 84 H GLY 84 -14.347 -11.246 6.892 642 1HA GLY 84 1HA GLY 84 -13.874 -12.643 8.845 643 2HA GLY 84 2HA GLY 84 -12.330 -13.032 8.103 644 H ASP 85 H ASP 85 -11.608 -10.411 7.282 645 HA ASP 85 HA ASP 85 -11.692 -8.693 9.593 646 1HB ASP 85 1HB ASP 85 -9.215 -8.684 9.907 647 2HB ASP 85 2HB ASP 85 -9.975 -10.205 10.361 648 H ILE 86 H ILE 86 -12.190 -8.705 6.616 649 HA ILE 86 HA ILE 86 -10.332 -7.314 5.176 650 HB ILE 86 HB ILE 86 -12.474 -8.151 4.251 651 1HG1 ILE 86 1HG1 ILE 86 -12.228 -5.236 3.620 652 2HG1 ILE 86 2HG1 ILE 86 -10.924 -6.346 3.222 653 1HG2 ILE 86 1HG2 ILE 86 -13.674 -5.635 5.398 654 2HG2 ILE 86 2HG2 ILE 86 -13.945 -7.257 6.031 655 3HG2 ILE 86 3HG2 ILE 86 -14.492 -6.839 4.408 656 1HD1 ILE 86 1HD1 ILE 86 -11.970 -6.662 1.297 657 2HD1 ILE 86 2HD1 ILE 86 -13.430 -5.858 1.871 658 3HD1 ILE 86 3HD1 ILE 86 -13.177 -7.569 2.202 659 HA PRO 87 HA PRO 87 -10.073 -3.601 7.760 660 1HB PRO 87 1HB PRO 87 -8.000 -2.506 6.336 661 2HB PRO 87 2HB PRO 87 -7.787 -3.695 7.624 662 1HG PRO 87 1HG PRO 87 -7.814 -4.094 4.660 663 2HG PRO 87 2HG PRO 87 -6.754 -4.823 5.879 664 1HD PRO 87 1HD PRO 87 -8.834 -6.166 4.818 665 2HD PRO 87 2HD PRO 87 -8.336 -6.384 6.506 666 H LEU 88 H LEU 88 -12.247 -3.444 6.313 667 HA LEU 88 HA LEU 88 -11.929 -1.373 4.277 668 1HB LEU 88 1HB LEU 88 -13.257 -3.239 3.586 669 2HB LEU 88 2HB LEU 88 -14.247 -3.146 5.026 670 HG LEU 88 HG LEU 88 -14.287 -0.729 3.340 671 1HD1 LEU 88 1HD1 LEU 88 -14.651 -1.734 1.399 672 2HD1 LEU 88 2HD1 LEU 88 -16.152 -2.355 2.082 673 3HD1 LEU 88 3HD1 LEU 88 -14.682 -3.328 2.150 674 1HD2 LEU 88 1HD2 LEU 88 -16.550 -0.668 3.965 675 2HD2 LEU 88 2HD2 LEU 88 -15.700 -1.262 5.392 676 3HD2 LEU 88 3HD2 LEU 88 -16.575 -2.388 4.352 677 H VAL 89 H VAL 89 -13.471 0.441 4.252 678 HA VAL 89 HA VAL 89 -14.529 1.219 6.860 679 HB VAL 89 HB VAL 89 -12.265 2.127 6.838 680 1HG1 VAL 89 1HG1 VAL 89 -11.347 2.662 4.888 681 2HG1 VAL 89 2HG1 VAL 89 -12.308 4.141 4.916 682 3HG1 VAL 89 3HG1 VAL 89 -12.917 2.707 4.088 683 1HG2 VAL 89 1HG2 VAL 89 -13.932 3.453 7.962 684 2HG2 VAL 89 2HG2 VAL 89 -14.403 4.218 6.445 685 3HG2 VAL 89 3HG2 VAL 89 -12.810 4.529 7.130 686 H HIS 90 H HIS 90 -16.075 2.945 6.751 687 HA HIS 90 HA HIS 90 -17.553 2.968 4.264 688 1HB HIS 90 1HB HIS 90 -18.071 4.086 7.014 689 2HB HIS 90 2HB HIS 90 -19.125 4.455 5.653 690 HD1 HIS 90 HD1 HIS 90 -20.886 3.209 7.334 691 HD2 HIS 90 HD2 HIS 90 -18.014 0.841 5.437 692 HE1 HIS 90 HE1 HIS 90 -21.722 0.823 7.499 693 HE2 HIS 90 HE2 HIS 90 -19.865 -0.587 6.546 694 H GLY 91 H GLY 91 -18.037 4.798 3.016 695 1HA GLY 91 1HA GLY 91 -16.200 7.072 3.452 696 2HA GLY 91 2HA GLY 91 -16.709 6.507 1.870 697 H MET 92 H MET 92 -18.944 6.774 4.536 698 HA MET 92 HA MET 92 -20.779 8.312 3.088 699 1HB MET 92 1HB MET 92 -21.266 6.868 5.097 700 2HB MET 92 2HB MET 92 -20.627 8.166 6.097 701 1HG MET 92 1HG MET 92 -22.624 9.105 6.110 702 2HG MET 92 2HG MET 92 -22.499 9.347 4.370 703 1HE MET 92 1HE MET 92 -25.556 7.678 6.535 704 2HE MET 92 2HE MET 92 -25.965 8.511 5.035 705 3HE MET 92 3HE MET 92 -24.808 9.229 6.156 706 HA PRO 93 HA PRO 93 -19.220 12.150 5.546 707 1HB PRO 93 1HB PRO 93 -16.802 12.059 6.722 708 2HB PRO 93 2HB PRO 93 -18.265 11.485 7.534 709 1HG PRO 93 1HG PRO 93 -16.152 9.915 6.106 710 2HG PRO 93 2HG PRO 93 -16.934 9.576 7.662 711 1HD PRO 93 1HD PRO 93 -17.660 8.367 5.336 712 2HD PRO 93 2HD PRO 93 -18.800 8.669 6.663 713 H PHE 94 H PHE 94 -16.833 10.224 3.810 714 HA PHE 94 HA PHE 94 -15.196 12.352 2.947 715 1HB PHE 94 1HB PHE 94 -15.026 9.660 2.774 716 2HB PHE 94 2HB PHE 94 -15.534 10.033 1.132 717 HD1 PHE 94 HD1 PHE 94 -12.899 8.800 2.031 718 HD2 PHE 94 HD2 PHE 94 -14.054 12.811 1.202 719 HE1 PHE 94 HE1 PHE 94 -10.576 9.344 1.447 720 HE2 PHE 94 HE2 PHE 94 -11.729 13.363 0.614 721 HZ PHE 94 HZ PHE 94 -9.986 11.626 0.734 722 H VAL 95 H VAL 95 -18.101 10.877 1.619 723 HA VAL 95 HA VAL 95 -18.048 12.421 -0.796 724 HB VAL 95 HB VAL 95 -20.449 11.009 0.353 725 1HG1 VAL 95 1HG1 VAL 95 -19.636 11.832 -2.427 726 2HG1 VAL 95 2HG1 VAL 95 -21.004 12.423 -1.485 727 3HG1 VAL 95 3HG1 VAL 95 -20.994 10.762 -2.078 728 1HG2 VAL 95 1HG2 VAL 95 -19.309 9.348 -1.566 729 2HG2 VAL 95 2HG2 VAL 95 -19.333 9.087 0.178 730 3HG2 VAL 95 3HG2 VAL 95 -17.951 9.881 -0.576 731 H SER 96 H SER 96 -19.054 13.020 2.412 732 HA SER 96 HA SER 96 -21.240 14.699 2.080 733 1HB SER 96 1HB SER 96 -19.025 14.856 4.134 734 2HB SER 96 2HB SER 96 -20.570 15.697 4.251 735 HG SER 96 HG SER 96 -21.577 13.613 4.190 736 H GLY 97 H GLY 97 -17.780 15.442 1.878 737 1HA GLY 97 1HA GLY 97 -16.789 17.167 0.663 738 2HA GLY 97 2HA GLY 97 -18.386 17.781 0.283 739 H VAL 98 H VAL 98 -18.554 17.411 3.485 740 HA VAL 98 HA VAL 98 -17.611 20.152 3.994 741 HB VAL 98 HB VAL 98 -19.737 18.668 5.536 742 1HG1 VAL 98 1HG1 VAL 98 -20.166 21.401 5.700 743 2HG1 VAL 98 2HG1 VAL 98 -18.416 21.229 5.826 744 3HG1 VAL 98 3HG1 VAL 98 -19.470 20.367 6.947 745 1HG2 VAL 98 1HG2 VAL 98 -19.973 19.484 2.912 746 2HG2 VAL 98 2HG2 VAL 98 -20.658 20.830 3.820 747 3HG2 VAL 98 3HG2 VAL 98 -21.302 19.203 4.035 748 H GLY 99 H GLY 99 -17.679 16.854 5.229 749 1HA GLY 99 1HA GLY 99 -16.001 17.670 7.498 750 2HA GLY 99 2HA GLY 99 -16.834 16.131 7.343 751 H ILE 100 H ILE 100 -15.225 17.153 4.496 752 HA ILE 100 HA ILE 100 -13.521 14.921 4.440 753 HB ILE 100 HB ILE 100 -12.996 17.485 2.940 754 1HG1 ILE 100 1HG1 ILE 100 -14.859 15.215 2.196 755 2HG1 ILE 100 2HG1 ILE 100 -15.321 16.881 2.534 756 1HG2 ILE 100 1HG2 ILE 100 -11.196 16.221 2.435 757 2HG2 ILE 100 2HG2 ILE 100 -12.307 15.504 1.268 758 3HG2 ILE 100 3HG2 ILE 100 -12.014 14.706 2.812 759 1HD1 ILE 100 1HD1 ILE 100 -14.047 17.612 0.564 760 2HD1 ILE 100 2HD1 ILE 100 -15.325 16.471 0.152 761 3HD1 ILE 100 3HD1 ILE 100 -13.653 15.930 0.217 762 H GLU 101 H GLU 101 -12.958 18.270 5.406 763 HA GLU 101 HA GLU 101 -10.206 18.247 5.694 764 1HB GLU 101 1HB GLU 101 -12.348 19.956 6.422 765 2HB GLU 101 2HB GLU 101 -11.350 19.744 7.854 766 1HG GLU 101 1HG GLU 101 -9.590 20.175 5.702 767 2HG GLU 101 2HG GLU 101 -10.886 21.361 5.548 768 H ALA 102 H ALA 102 -12.670 17.375 8.105 769 HA ALA 102 HA ALA 102 -10.777 16.680 10.112 770 1HB ALA 102 1HB ALA 102 -12.868 17.246 10.951 771 2HB ALA 102 2HB ALA 102 -12.833 15.489 11.108 772 3HB ALA 102 3HB ALA 102 -13.720 16.238 9.780 773 H LEU 103 H LEU 103 -12.754 14.756 7.863 774 HA LEU 103 HA LEU 103 -11.886 12.228 8.688 775 1HB LEU 103 1HB LEU 103 -13.802 12.509 7.227 776 2HB LEU 103 2HB LEU 103 -12.784 13.180 5.967 777 HG LEU 103 HG LEU 103 -11.691 10.657 6.544 778 1HD1 LEU 103 1HD1 LEU 103 -14.081 9.548 5.777 779 2HD1 LEU 103 2HD1 LEU 103 -14.565 10.709 7.012 780 3HD1 LEU 103 3HD1 LEU 103 -13.375 9.465 7.390 781 1HD2 LEU 103 1HD2 LEU 103 -13.485 11.506 4.273 782 2HD2 LEU 103 2HD2 LEU 103 -12.365 10.142 4.267 783 3HD2 LEU 103 3HD2 LEU 103 -11.746 11.790 4.370 784 H GLN 104 H GLN 104 -10.731 14.188 5.938 785 HA GLN 104 HA GLN 104 -8.669 12.594 5.081 786 1HB GLN 104 1HB GLN 104 -9.392 14.652 3.940 787 2HB GLN 104 2HB GLN 104 -8.643 15.612 5.210 788 1HG GLN 104 1HG GLN 104 -6.551 14.093 4.481 789 2HG GLN 104 2HG GLN 104 -7.427 14.169 2.951 790 1HE2 GLN 104 1HE2 GLN 104 -5.977 16.108 5.501 791 2HE2 GLN 104 2HE2 GLN 104 -5.681 17.504 4.527 792 H ASN 105 H ASN 105 -8.497 15.115 7.605 793 HA ASN 105 HA ASN 105 -5.796 14.875 8.191 794 1HB ASN 105 1HB ASN 105 -7.939 16.298 9.245 795 2HB ASN 105 2HB ASN 105 -7.392 15.305 10.592 796 1HD2 ASN 105 1HD2 ASN 105 -7.201 18.049 10.664 797 2HD2 ASN 105 2HD2 ASN 105 -5.537 18.509 10.611 798 H LYS 106 H LYS 106 -8.530 13.007 9.461 799 HA LYS 106 HA LYS 106 -6.918 11.489 11.274 800 1HB LYS 106 1HB LYS 106 -9.576 11.965 11.097 801 2HB LYS 106 2HB LYS 106 -9.499 10.355 10.396 802 1HG LYS 106 1HG LYS 106 -7.920 10.178 12.667 803 2HG LYS 106 2HG LYS 106 -9.283 11.186 13.158 804 1HD LYS 106 1HD LYS 106 -10.831 9.472 12.302 805 2HD LYS 106 2HD LYS 106 -9.451 8.461 11.866 806 1HE LYS 106 1HE LYS 106 -9.249 7.701 13.950 807 2HE LYS 106 2HE LYS 106 -9.297 9.332 14.620 808 1HZ LYS 106 1HZ LYS 106 -11.191 7.486 15.016 809 2HZ LYS 106 2HZ LYS 106 -11.843 8.314 13.693 810 3HZ LYS 106 3HZ LYS 106 -11.463 9.155 15.110 811 H ILE 107 H ILE 107 -8.315 10.838 8.054 812 HA ILE 107 HA ILE 107 -7.461 8.153 7.921 813 HB ILE 107 HB ILE 107 -7.823 8.251 5.526 814 1HG1 ILE 107 1HG1 ILE 107 -8.762 10.666 4.800 815 2HG1 ILE 107 2HG1 ILE 107 -7.566 11.167 5.985 816 1HG2 ILE 107 1HG2 ILE 107 -9.934 9.862 6.940 817 2HG2 ILE 107 2HG2 ILE 107 -9.738 8.118 7.088 818 3HG2 ILE 107 3HG2 ILE 107 -10.150 8.830 5.528 819 1HD1 ILE 107 1HD1 ILE 107 -6.633 9.189 4.030 820 2HD1 ILE 107 2HD1 ILE 107 -5.841 10.632 4.658 821 3HD1 ILE 107 3HD1 ILE 107 -7.044 10.775 3.378 822 H LEU 108 H LEU 108 -5.831 11.172 7.299 823 HA LEU 108 HA LEU 108 -3.625 10.024 5.897 824 1HB LEU 108 1HB LEU 108 -4.316 12.680 7.011 825 2HB LEU 108 2HB LEU 108 -2.607 12.336 6.813 826 HG LEU 108 HG LEU 108 -4.648 12.138 4.599 827 1HD1 LEU 108 1HD1 LEU 108 -2.899 14.363 5.531 828 2HD1 LEU 108 2HD1 LEU 108 -4.563 14.406 4.948 829 3HD1 LEU 108 3HD1 LEU 108 -3.235 14.181 3.810 830 1HD2 LEU 108 1HD2 LEU 108 -2.350 10.814 4.679 831 2HD2 LEU 108 2HD2 LEU 108 -1.727 12.372 4.138 832 3HD2 LEU 108 3HD2 LEU 108 -2.963 11.540 3.197 833 H THR 109 H THR 109 -4.091 11.134 9.240 834 HA THR 109 HA THR 109 -1.534 10.607 10.186 835 HB THR 109 HB THR 109 -2.987 10.053 12.391 836 HG1 THR 109 HG1 THR 109 -4.724 11.401 10.619 837 1HG2 THR 109 1HG2 THR 109 -2.906 12.371 12.974 838 2HG2 THR 109 2HG2 THR 109 -2.706 12.831 11.283 839 3HG2 THR 109 3HG2 THR 109 -1.433 11.932 12.109 840 H ILE 110 H ILE 110 -4.277 8.446 9.778 841 HA ILE 110 HA ILE 110 -3.103 6.245 11.137 842 HB ILE 110 HB ILE 110 -5.274 6.195 9.038 843 1HG1 ILE 110 1HG1 ILE 110 -5.622 6.165 12.035 844 2HG1 ILE 110 2HG1 ILE 110 -5.645 7.657 11.103 845 1HG2 ILE 110 1HG2 ILE 110 -4.182 4.018 9.490 846 2HG2 ILE 110 2HG2 ILE 110 -5.881 4.053 9.962 847 3HG2 ILE 110 3HG2 ILE 110 -4.621 4.186 11.189 848 1HD1 ILE 110 1HD1 ILE 110 -7.596 7.003 9.942 849 2HD1 ILE 110 2HD1 ILE 110 -7.882 6.664 11.649 850 3HD1 ILE 110 3HD1 ILE 110 -7.482 5.350 10.543 851 H LEU 111 H LEU 111 -3.336 7.132 7.701 852 HA LEU 111 HA LEU 111 -1.973 4.822 6.772 853 1HB LEU 111 1HB LEU 111 -2.373 7.505 5.448 854 2HB LEU 111 2HB LEU 111 -1.763 6.071 4.643 855 HG LEU 111 HG LEU 111 -4.510 6.328 5.869 856 1HD1 LEU 111 1HD1 LEU 111 -5.077 7.397 4.010 857 2HD1 LEU 111 2HD1 LEU 111 -4.691 5.931 3.111 858 3HD1 LEU 111 3HD1 LEU 111 -3.466 7.181 3.327 859 1HD2 LEU 111 1HD2 LEU 111 -3.756 4.198 3.941 860 2HD2 LEU 111 2HD2 LEU 111 -4.951 4.181 5.237 861 3HD2 LEU 111 3HD2 LEU 111 -3.236 4.029 5.617 862 H GLN 112 H GLN 112 -0.917 7.919 7.962 863 HA GLN 112 HA GLN 112 1.816 7.454 7.053 864 1HB GLN 112 1HB GLN 112 2.306 9.678 7.897 865 2HB GLN 112 2HB GLN 112 0.879 9.726 6.872 866 1HG GLN 112 1HG GLN 112 -0.317 10.619 8.500 867 2HG GLN 112 2HG GLN 112 0.087 9.290 9.583 868 1HE2 GLN 112 1HE2 GLN 112 2.521 9.484 10.309 869 2HE2 GLN 112 2HE2 GLN 112 2.943 11.032 10.947 870 H GLY 113 H GLY 113 -0.096 6.721 9.732 871 1HA GLY 113 1HA GLY 113 2.330 6.247 11.344 872 2HA GLY 113 2HA GLY 113 0.869 6.901 12.071 Start of MODEL 12 1 1H MET 1 1H MET 1 22.592 -5.464 2.768 2 2H MET 1 2H MET 1 22.272 -6.676 1.596 3 3H MET 1 3H MET 1 23.814 -5.928 1.660 4 HA MET 1 HA MET 1 22.607 -7.628 3.736 5 1HB MET 1 1HB MET 1 24.467 -9.172 3.045 6 2HB MET 1 2HB MET 1 23.204 -8.956 1.843 7 1HG MET 1 1HG MET 1 24.587 -7.498 0.552 8 2HG MET 1 2HG MET 1 25.815 -7.467 1.816 9 1HE MET 1 1HE MET 1 24.096 -9.061 -0.939 10 2HE MET 1 2HE MET 1 24.891 -10.596 -1.289 11 3HE MET 1 3HE MET 1 25.661 -9.079 -1.751 12 H GLY 2 H GLY 2 25.443 -5.789 2.628 13 1HA GLY 2 1HA GLY 2 26.497 -5.901 5.379 14 2HA GLY 2 2HA GLY 2 27.460 -5.583 3.944 15 H SER 3 H SER 3 25.561 -3.724 2.792 16 HA SER 3 HA SER 3 25.021 -1.518 2.795 17 1HB SER 3 1HB SER 3 24.605 -2.337 5.518 18 2HB SER 3 2HB SER 3 25.251 -0.697 5.494 19 HG SER 3 HG SER 3 23.558 -0.073 4.178 20 H SER 4 H SER 4 27.151 -1.403 1.749 21 HA SER 4 HA SER 4 28.906 0.397 3.256 22 1HB SER 4 1HB SER 4 30.904 -0.715 2.311 23 2HB SER 4 2HB SER 4 29.973 -1.796 3.349 24 HG SER 4 HG SER 4 28.987 -2.571 1.353 25 H HIS 5 H HIS 5 27.522 -0.620 0.233 26 HA HIS 5 HA HIS 5 28.798 1.661 -1.121 27 1HB HIS 5 1HB HIS 5 28.148 -1.069 -1.980 28 2HB HIS 5 2HB HIS 5 27.641 0.170 -3.123 29 HD1 HIS 5 HD1 HIS 5 29.398 1.209 -4.574 30 HD2 HIS 5 HD2 HIS 5 30.993 -1.074 -1.457 31 HE1 HIS 5 HE1 HIS 5 31.889 1.048 -5.021 32 HE2 HIS 5 HE2 HIS 5 32.807 -0.399 -3.173 33 H HIS 6 H HIS 6 27.451 3.349 -0.853 34 HA HIS 6 HA HIS 6 25.618 4.678 -1.052 35 1HB HIS 6 1HB HIS 6 24.632 2.531 -2.942 36 2HB HIS 6 2HB HIS 6 24.030 4.182 -2.839 37 HD1 HIS 6 HD1 HIS 6 27.473 4.664 -2.459 38 HD2 HIS 6 HD2 HIS 6 25.067 3.607 -5.709 39 HE1 HIS 6 HE1 HIS 6 28.809 5.231 -4.538 40 HE2 HIS 6 HE2 HIS 6 27.370 4.503 -6.475 41 H HIS 7 H HIS 7 24.751 4.605 0.973 42 HA HIS 7 HA HIS 7 23.264 2.409 1.993 43 1HB HIS 7 1HB HIS 7 24.442 4.536 3.148 44 2HB HIS 7 2HB HIS 7 22.785 5.125 3.101 45 HD1 HIS 7 HD1 HIS 7 21.195 4.277 4.846 46 HD2 HIS 7 HD2 HIS 7 24.765 2.106 4.700 47 HE1 HIS 7 HE1 HIS 7 21.153 2.718 6.843 48 HE2 HIS 7 HE2 HIS 7 23.350 1.487 6.777 49 H HIS 8 H HIS 8 20.984 3.479 3.087 50 HA HIS 8 HA HIS 8 18.802 3.959 2.692 51 1HB HIS 8 1HB HIS 8 20.182 5.801 1.109 52 2HB HIS 8 2HB HIS 8 18.989 5.096 0.025 53 HD1 HIS 8 HD1 HIS 8 17.416 4.878 3.163 54 HD2 HIS 8 HD2 HIS 8 18.229 8.038 0.551 55 HE1 HIS 8 HE1 HIS 8 15.802 6.734 3.779 56 HE2 HIS 8 HE2 HIS 8 16.372 8.651 2.245 57 H HIS 9 H HIS 9 18.704 1.608 2.509 58 HA HIS 9 HA HIS 9 18.409 0.554 -0.192 59 1HB HIS 9 1HB HIS 9 18.555 -0.679 2.543 60 2HB HIS 9 2HB HIS 9 17.939 -1.608 1.180 61 HD1 HIS 9 HD1 HIS 9 21.056 -0.285 2.701 62 HD2 HIS 9 HD2 HIS 9 19.872 -2.195 -0.825 63 HE1 HIS 9 HE1 HIS 9 23.186 -1.089 1.586 64 HE2 HIS 9 HE2 HIS 9 22.446 -2.152 -0.577 65 H HIS 10 H HIS 10 16.510 -1.088 -0.393 66 HA HIS 10 HA HIS 10 14.101 -0.517 1.006 67 1HB HIS 10 1HB HIS 10 14.570 1.475 -0.672 68 2HB HIS 10 2HB HIS 10 13.918 0.344 -1.851 69 HD1 HIS 10 HD1 HIS 10 12.690 0.836 1.710 70 HD2 HIS 10 HD2 HIS 10 11.445 1.439 -2.235 71 HE1 HIS 10 HE1 HIS 10 10.257 1.543 1.838 72 HE2 HIS 10 HE2 HIS 10 9.552 1.951 -0.548 73 H HIS 11 H HIS 11 12.161 -1.407 -0.481 74 HA HIS 11 HA HIS 11 12.632 -4.150 -0.782 75 1HB HIS 11 1HB HIS 11 10.405 -2.678 -0.563 76 2HB HIS 11 2HB HIS 11 10.392 -2.924 -2.306 77 HD1 HIS 11 HD1 HIS 11 10.974 -5.178 0.728 78 HD2 HIS 11 HD2 HIS 11 8.925 -5.099 -2.915 79 HE1 HIS 11 HE1 HIS 11 9.734 -7.384 0.569 80 HE2 HIS 11 HE2 HIS 11 8.583 -7.342 -1.673 81 H HIS 12 H HIS 12 14.104 -4.869 -2.212 82 HA HIS 12 HA HIS 12 14.145 -3.745 -4.909 83 1HB HIS 12 1HB HIS 12 16.152 -4.662 -3.177 84 2HB HIS 12 2HB HIS 12 16.074 -5.856 -4.468 85 HD1 HIS 12 HD1 HIS 12 18.113 -5.282 -5.794 86 HD2 HIS 12 HD2 HIS 12 15.712 -1.960 -4.979 87 HE1 HIS 12 HE1 HIS 12 19.091 -3.361 -7.130 88 HE2 HIS 12 HE2 HIS 12 17.695 -1.352 -6.524 89 H GLU 13 H GLU 13 12.074 -5.663 -3.779 90 HA GLU 13 HA GLU 13 11.020 -7.634 -4.293 91 1HB GLU 13 1HB GLU 13 10.337 -7.727 -6.649 92 2HB GLU 13 2HB GLU 13 10.218 -6.102 -5.997 93 1HG GLU 13 1HG GLU 13 12.452 -5.635 -7.064 94 2HG GLU 13 2HG GLU 13 12.289 -7.185 -7.885 95 H ASN 14 H ASN 14 11.166 -9.389 -6.439 96 HA ASN 14 HA ASN 14 13.817 -10.315 -6.902 97 1HB ASN 14 1HB ASN 14 12.624 -11.086 -4.427 98 2HB ASN 14 2HB ASN 14 12.705 -12.513 -5.454 99 1HD2 ASN 14 1HD2 ASN 14 14.896 -9.747 -5.326 100 2HD2 ASN 14 2HD2 ASN 14 16.291 -10.650 -4.850 101 H LEU 15 H LEU 15 11.745 -9.770 -8.615 102 HA LEU 15 HA LEU 15 10.631 -10.612 -10.412 103 1HB LEU 15 1HB LEU 15 12.757 -12.451 -9.896 104 2HB LEU 15 2HB LEU 15 11.346 -13.367 -10.383 105 HG LEU 15 HG LEU 15 12.650 -11.144 -11.961 106 1HD1 LEU 15 1HD1 LEU 15 13.255 -13.897 -11.745 107 2HD1 LEU 15 2HD1 LEU 15 13.936 -12.708 -12.854 108 3HD1 LEU 15 3HD1 LEU 15 12.513 -13.638 -13.325 109 1HD2 LEU 15 1HD2 LEU 15 10.498 -12.941 -13.002 110 2HD2 LEU 15 2HD2 LEU 15 11.023 -11.362 -13.588 111 3HD2 LEU 15 3HD2 LEU 15 10.079 -11.481 -12.105 112 H TYR 16 H TYR 16 9.063 -12.476 -11.057 113 HA TYR 16 HA TYR 16 7.074 -13.493 -10.655 114 1HB TYR 16 1HB TYR 16 8.938 -14.769 -9.081 115 2HB TYR 16 2HB TYR 16 7.675 -14.369 -7.924 116 HD1 TYR 16 HD1 TYR 16 7.315 -15.270 -11.516 117 HD2 TYR 16 HD2 TYR 16 6.672 -16.434 -7.475 118 HE1 TYR 16 HE1 TYR 16 6.002 -17.199 -12.287 119 HE2 TYR 16 HE2 TYR 16 5.359 -18.369 -8.236 120 HH TYR 16 HH TYR 16 5.317 -19.794 -10.498 121 H PHE 17 H PHE 17 7.608 -10.704 -9.670 122 HA PHE 17 HA PHE 17 5.087 -10.329 -8.385 123 1HB PHE 17 1HB PHE 17 7.041 -10.930 -6.607 124 2HB PHE 17 2HB PHE 17 7.222 -9.180 -6.693 125 HD1 PHE 17 HD1 PHE 17 5.370 -7.710 -6.037 126 HD2 PHE 17 HD2 PHE 17 5.144 -11.932 -5.567 127 HE1 PHE 17 HE1 PHE 17 3.468 -7.432 -4.501 128 HE2 PHE 17 HE2 PHE 17 3.241 -11.662 -4.029 129 HZ PHE 17 HZ PHE 17 2.401 -9.410 -3.495 130 H GLN 18 H GLN 18 4.379 -8.212 -8.485 131 HA GLN 18 HA GLN 18 6.214 -6.134 -9.357 132 1HB GLN 18 1HB GLN 18 4.205 -7.418 -11.108 133 2HB GLN 18 2HB GLN 18 4.245 -5.660 -11.153 134 1HG GLN 18 1HG GLN 18 6.343 -5.589 -12.062 135 2HG GLN 18 2HG GLN 18 6.802 -7.158 -11.399 136 1HE2 GLN 18 1HE2 GLN 18 4.178 -5.974 -13.479 137 2HE2 GLN 18 2HE2 GLN 18 4.410 -7.144 -14.728 138 H GLY 19 H GLY 19 5.238 -6.023 -6.966 139 1HA GLY 19 1HA GLY 19 2.880 -4.249 -7.118 140 2HA GLY 19 2HA GLY 19 3.200 -5.313 -5.757 141 H SER 20 H SER 20 3.060 -2.242 -6.357 142 HA SER 20 HA SER 20 5.555 -1.136 -5.706 143 1HB SER 20 1HB SER 20 3.890 0.313 -6.606 144 2HB SER 20 2HB SER 20 2.736 -0.112 -5.342 145 HG SER 20 HG SER 20 4.144 1.953 -5.259 146 H LYS 21 H LYS 21 2.720 -1.523 -3.596 147 HA LYS 21 HA LYS 21 4.181 -2.586 -1.414 148 1HB LYS 21 1HB LYS 21 3.822 0.359 -1.533 149 2HB LYS 21 2HB LYS 21 3.488 -0.411 0.009 150 1HG LYS 21 1HG LYS 21 5.643 -0.652 0.465 151 2HG LYS 21 2HG LYS 21 5.989 -1.327 -1.128 152 1HD LYS 21 1HD LYS 21 5.540 1.302 -1.715 153 2HD LYS 21 2HD LYS 21 6.299 1.411 -0.127 154 1HE LYS 21 1HE LYS 21 8.254 0.363 -0.865 155 2HE LYS 21 2HE LYS 21 7.469 -0.285 -2.305 156 1HZ LYS 21 1HZ LYS 21 7.330 1.932 -3.212 157 2HZ LYS 21 2HZ LYS 21 8.936 1.591 -2.805 158 3HZ LYS 21 3HZ LYS 21 8.008 2.595 -1.810 159 H ARG 22 H ARG 22 1.607 -0.154 -1.354 160 HA ARG 22 HA ARG 22 -0.223 -2.212 -0.317 161 1HB ARG 22 1HB ARG 22 -0.230 0.780 0.120 162 2HB ARG 22 2HB ARG 22 -1.433 -0.334 0.756 163 1HG ARG 22 1HG ARG 22 -0.172 -0.455 2.574 164 2HG ARG 22 2HG ARG 22 0.955 -1.412 1.616 165 1HD ARG 22 1HD ARG 22 2.062 0.452 2.787 166 2HD ARG 22 2HD ARG 22 2.207 0.578 1.036 167 HE ARG 22 HE ARG 22 1.157 2.585 1.183 168 1HH1 ARG 22 1HH1 ARG 22 0.217 0.685 3.959 169 2HH1 ARG 22 2HH1 ARG 22 -0.750 1.944 4.646 170 1HH2 ARG 22 1HH2 ARG 22 -0.088 4.252 2.113 171 2HH2 ARG 22 2HH2 ARG 22 -0.913 3.970 3.608 172 H LYS 23 H LYS 23 -2.372 -2.245 -1.026 173 HA LYS 23 HA LYS 23 -2.984 -0.645 -3.418 174 1HB LYS 23 1HB LYS 23 -2.880 -3.591 -3.122 175 2HB LYS 23 2HB LYS 23 -4.228 -2.946 -4.047 176 1HG LYS 23 1HG LYS 23 -2.072 -1.581 -5.063 177 2HG LYS 23 2HG LYS 23 -1.417 -3.188 -4.747 178 1HD LYS 23 1HD LYS 23 -4.064 -3.138 -6.037 179 2HD LYS 23 2HD LYS 23 -2.742 -2.489 -7.008 180 1HE LYS 23 1HE LYS 23 -2.744 -5.193 -5.670 181 2HE LYS 23 2HE LYS 23 -3.114 -4.906 -7.369 182 1HZ LYS 23 1HZ LYS 23 -0.707 -5.547 -6.564 183 2HZ LYS 23 2HZ LYS 23 -0.577 -3.875 -6.344 184 3HZ LYS 23 3HZ LYS 23 -0.952 -4.498 -7.870 185 H ILE 24 H ILE 24 -4.666 0.600 -2.832 186 HA ILE 24 HA ILE 24 -6.677 -0.452 -0.996 187 HB ILE 24 HB ILE 24 -6.520 2.335 -2.133 188 1HG1 ILE 24 1HG1 ILE 24 -5.284 1.225 0.386 189 2HG1 ILE 24 2HG1 ILE 24 -4.416 1.829 -1.015 190 1HG2 ILE 24 1HG2 ILE 24 -8.667 1.684 -1.136 191 2HG2 ILE 24 2HG2 ILE 24 -7.859 2.937 -0.195 192 3HG2 ILE 24 3HG2 ILE 24 -7.835 1.263 0.361 193 1HD1 ILE 24 1HD1 ILE 24 -4.396 3.844 -0.120 194 2HD1 ILE 24 2HD1 ILE 24 -5.293 3.239 1.272 195 3HD1 ILE 24 3HD1 ILE 24 -6.160 3.873 -0.127 196 H ILE 25 H ILE 25 -8.949 -0.327 -1.472 197 HA ILE 25 HA ILE 25 -9.575 -0.124 -4.329 198 HB ILE 25 HB ILE 25 -9.498 -2.474 -3.855 199 1HG1 ILE 25 1HG1 ILE 25 -11.823 -3.170 -4.234 200 2HG1 ILE 25 2HG1 ILE 25 -12.380 -1.553 -3.829 201 1HG2 ILE 25 1HG2 ILE 25 -10.015 -3.406 -1.910 202 2HG2 ILE 25 2HG2 ILE 25 -11.592 -2.620 -1.859 203 3HG2 ILE 25 3HG2 ILE 25 -10.163 -1.763 -1.293 204 1HD1 ILE 25 1HD1 ILE 25 -10.837 -2.466 -6.222 205 2HD1 ILE 25 2HD1 ILE 25 -10.898 -0.776 -5.741 206 3HD1 ILE 25 3HD1 ILE 25 -12.382 -1.621 -6.151 207 H VAL 26 H VAL 26 -11.574 0.732 -4.846 208 HA VAL 26 HA VAL 26 -13.155 1.754 -2.573 209 HB VAL 26 HB VAL 26 -11.935 3.648 -3.396 210 1HG1 VAL 26 1HG1 VAL 26 -12.708 4.169 -5.971 211 2HG1 VAL 26 2HG1 VAL 26 -12.456 2.425 -5.988 212 3HG1 VAL 26 3HG1 VAL 26 -11.154 3.498 -5.480 213 1HG2 VAL 26 1HG2 VAL 26 -14.795 3.649 -4.352 214 2HG2 VAL 26 2HG2 VAL 26 -13.792 5.095 -4.238 215 3HG2 VAL 26 3HG2 VAL 26 -14.186 4.179 -2.784 216 H ALA 27 H ALA 27 -15.077 0.834 -2.631 217 HA ALA 27 HA ALA 27 -16.227 0.150 -5.249 218 1HB ALA 27 1HB ALA 27 -17.350 -1.638 -4.289 219 2HB ALA 27 2HB ALA 27 -17.227 -0.970 -2.661 220 3HB ALA 27 3HB ALA 27 -15.799 -1.639 -3.450 221 H CYS 28 H CYS 28 -17.875 1.278 -5.976 222 HA CYS 28 HA CYS 28 -20.102 2.067 -4.478 223 1HB CYS 28 1HB CYS 28 -19.790 4.484 -4.347 224 2HB CYS 28 2HB CYS 28 -18.523 3.658 -3.448 225 HG CYS 28 HG CYS 28 -16.963 4.154 -5.593 226 H GLY 29 H GLY 29 -21.426 3.783 -5.730 227 1HA GLY 29 1HA GLY 29 -20.853 3.661 -8.609 228 2HA GLY 29 2HA GLY 29 -22.397 3.057 -8.025 229 H GLY 30 H GLY 30 -20.643 5.784 -9.029 230 1HA GLY 30 1HA GLY 30 -22.914 7.505 -8.250 231 2HA GLY 30 2HA GLY 30 -21.254 8.063 -8.153 232 H ALA 31 H ALA 31 -20.036 7.694 -10.333 233 HA ALA 31 HA ALA 31 -19.765 8.330 -12.498 234 1HB ALA 31 1HB ALA 31 -21.047 7.117 -13.845 235 2HB ALA 31 2HB ALA 31 -22.449 8.127 -13.489 236 3HB ALA 31 3HB ALA 31 -22.078 6.740 -12.465 237 H VAL 32 H VAL 32 -21.081 10.140 -10.299 238 HA VAL 32 HA VAL 32 -21.737 12.331 -12.148 239 HB VAL 32 HB VAL 32 -23.122 13.135 -10.003 240 1HG1 VAL 32 1HG1 VAL 32 -24.557 11.185 -11.712 241 2HG1 VAL 32 2HG1 VAL 32 -23.734 12.524 -12.511 242 3HG1 VAL 32 3HG1 VAL 32 -24.968 12.847 -11.294 243 1HG2 VAL 32 1HG2 VAL 32 -23.930 11.538 -8.628 244 2HG2 VAL 32 2HG2 VAL 32 -22.477 10.663 -9.109 245 3HG2 VAL 32 3HG2 VAL 32 -24.013 10.327 -9.906 246 H ALA 33 H ALA 33 -21.217 11.993 -8.626 247 HA ALA 33 HA ALA 33 -18.816 13.609 -8.804 248 1HB ALA 33 1HB ALA 33 -20.655 14.691 -6.791 249 2HB ALA 33 2HB ALA 33 -21.151 14.961 -8.462 250 3HB ALA 33 3HB ALA 33 -19.573 15.523 -7.910 251 H THR 34 H THR 34 -18.743 11.065 -8.121 252 HA THR 34 HA THR 34 -18.079 11.160 -5.283 253 HB THR 34 HB THR 34 -19.123 8.885 -4.948 254 HG1 THR 34 HG1 THR 34 -19.425 8.415 -7.171 255 1HG2 THR 34 1HG2 THR 34 -21.565 9.857 -5.086 256 2HG2 THR 34 2HG2 THR 34 -20.690 11.371 -5.310 257 3HG2 THR 34 3HG2 THR 34 -20.414 10.399 -3.864 258 H SER 35 H SER 35 -17.911 9.471 -8.367 259 HA SER 35 HA SER 35 -15.838 7.675 -7.530 260 1HB SER 35 1HB SER 35 -16.238 8.247 -10.423 261 2HB SER 35 2HB SER 35 -16.058 6.701 -9.593 262 HG SER 35 HG SER 35 -18.351 8.305 -9.884 263 H THR 36 H THR 36 -15.905 10.415 -9.816 264 HA THR 36 HA THR 36 -13.112 10.533 -10.148 265 HB THR 36 HB THR 36 -14.681 13.046 -10.382 266 HG1 THR 36 HG1 THR 36 -16.129 12.255 -11.659 267 1HG2 THR 36 1HG2 THR 36 -12.422 12.951 -11.265 268 2HG2 THR 36 2HG2 THR 36 -13.600 13.173 -12.559 269 3HG2 THR 36 3HG2 THR 36 -12.871 11.589 -12.293 270 H MET 37 H MET 37 -15.318 12.341 -8.031 271 HA MET 37 HA MET 37 -13.541 14.088 -6.853 272 1HB MET 37 1HB MET 37 -16.155 12.996 -6.216 273 2HB MET 37 2HB MET 37 -15.212 13.292 -4.762 274 1HG MET 37 1HG MET 37 -14.866 15.601 -5.437 275 2HG MET 37 2HG MET 37 -15.774 15.313 -6.920 276 1HE MET 37 1HE MET 37 -16.695 14.295 -2.997 277 2HE MET 37 2HE MET 37 -17.342 15.906 -2.690 278 3HE MET 37 3HE MET 37 -15.670 15.712 -3.220 279 H ALA 38 H ALA 38 -14.401 10.833 -5.658 280 HA ALA 38 HA ALA 38 -12.557 10.825 -3.532 281 1HB ALA 38 1HB ALA 38 -14.560 9.157 -4.375 282 2HB ALA 38 2HB ALA 38 -13.439 8.827 -3.055 283 3HB ALA 38 3HB ALA 38 -13.113 8.194 -4.668 284 H ALA 39 H ALA 39 -12.349 9.300 -6.751 285 HA ALA 39 HA ALA 39 -9.804 8.228 -6.525 286 1HB ALA 39 1HB ALA 39 -11.547 9.023 -8.773 287 2HB ALA 39 2HB ALA 39 -10.762 7.481 -8.431 288 3HB ALA 39 3HB ALA 39 -9.836 8.805 -9.139 289 H GLU 40 H GLU 40 -10.666 11.391 -7.958 290 HA GLU 40 HA GLU 40 -8.039 12.246 -8.410 291 1HB GLU 40 1HB GLU 40 -10.678 13.397 -8.538 292 2HB GLU 40 2HB GLU 40 -9.563 14.545 -7.813 293 1HG GLU 40 1HG GLU 40 -9.635 14.919 -10.169 294 2HG GLU 40 2HG GLU 40 -8.059 14.247 -9.751 295 H GLU 41 H GLU 41 -10.093 12.456 -5.566 296 HA GLU 41 HA GLU 41 -8.396 14.183 -4.079 297 1HB GLU 41 1HB GLU 41 -10.663 12.347 -3.358 298 2HB GLU 41 2HB GLU 41 -9.743 13.174 -2.111 299 1HG GLU 41 1HG GLU 41 -10.625 14.950 -4.239 300 2HG GLU 41 2HG GLU 41 -11.956 14.144 -3.413 301 H ILE 42 H ILE 42 -8.932 10.662 -3.929 302 HA ILE 42 HA ILE 42 -6.916 10.182 -2.006 303 HB ILE 42 HB ILE 42 -7.984 8.223 -4.041 304 1HG1 ILE 42 1HG1 ILE 42 -9.038 8.324 -1.260 305 2HG1 ILE 42 2HG1 ILE 42 -9.577 9.582 -2.368 306 1HG2 ILE 42 1HG2 ILE 42 -6.112 8.020 -1.840 307 2HG2 ILE 42 2HG2 ILE 42 -6.491 6.858 -3.110 308 3HG2 ILE 42 3HG2 ILE 42 -7.475 6.918 -1.649 309 1HD1 ILE 42 1HD1 ILE 42 -10.624 7.028 -2.082 310 2HD1 ILE 42 2HD1 ILE 42 -9.734 6.988 -3.604 311 3HD1 ILE 42 3HD1 ILE 42 -10.994 8.196 -3.351 312 H LYS 43 H LYS 43 -6.941 10.067 -5.542 313 HA LYS 43 HA LYS 43 -4.383 8.995 -5.920 314 1HB LYS 43 1HB LYS 43 -6.140 9.273 -7.683 315 2HB LYS 43 2HB LYS 43 -5.772 10.991 -7.711 316 1HG LYS 43 1HG LYS 43 -3.605 8.984 -8.153 317 2HG LYS 43 2HG LYS 43 -4.699 9.425 -9.466 318 1HD LYS 43 1HD LYS 43 -3.957 11.860 -8.373 319 2HD LYS 43 2HD LYS 43 -2.474 10.903 -8.319 320 1HE LYS 43 1HE LYS 43 -2.655 10.429 -10.686 321 2HE LYS 43 2HE LYS 43 -4.198 11.278 -10.764 322 1HZ LYS 43 1HZ LYS 43 -1.488 12.379 -10.467 323 2HZ LYS 43 2HZ LYS 43 -2.806 13.248 -9.859 324 3HZ LYS 43 3HZ LYS 43 -2.733 12.864 -11.505 325 H GLU 44 H GLU 44 -5.367 12.433 -6.092 326 HA GLU 44 HA GLU 44 -2.813 13.492 -6.339 327 1HB GLU 44 1HB GLU 44 -3.735 15.608 -5.639 328 2HB GLU 44 2HB GLU 44 -4.912 14.783 -6.648 329 1HG GLU 44 1HG GLU 44 -6.429 14.995 -5.061 330 2HG GLU 44 2HG GLU 44 -5.422 14.060 -3.959 331 H LEU 45 H LEU 45 -4.482 12.302 -3.516 332 HA LEU 45 HA LEU 45 -2.853 13.514 -1.559 333 1HB LEU 45 1HB LEU 45 -5.015 11.676 -1.637 334 2HB LEU 45 2HB LEU 45 -3.752 10.972 -0.644 335 HG LEU 45 HG LEU 45 -5.425 12.311 0.620 336 1HD1 LEU 45 1HD1 LEU 45 -3.741 13.570 1.936 337 2HD1 LEU 45 2HD1 LEU 45 -2.559 13.234 0.672 338 3HD1 LEU 45 3HD1 LEU 45 -3.267 11.907 1.592 339 1HD2 LEU 45 1HD2 LEU 45 -4.257 14.878 -0.050 340 2HD2 LEU 45 2HD2 LEU 45 -5.953 14.410 0.069 341 3HD2 LEU 45 3HD2 LEU 45 -5.066 14.140 -1.431 342 H CYS 46 H CYS 46 -2.804 10.104 -2.650 343 HA CYS 46 HA CYS 46 -0.534 9.294 -1.346 344 1HB CYS 46 1HB CYS 46 -0.373 7.490 -2.898 345 2HB CYS 46 2HB CYS 46 -2.084 7.864 -2.738 346 HG CYS 46 HG CYS 46 -2.167 8.639 -5.113 347 H GLN 47 H GLN 47 -0.765 11.135 -4.332 348 HA GLN 47 HA GLN 47 2.030 11.017 -4.918 349 1HB GLN 47 1HB GLN 47 -0.253 12.687 -5.949 350 2HB GLN 47 2HB GLN 47 1.400 12.946 -6.488 351 1HG GLN 47 1HG GLN 47 1.146 10.267 -6.838 352 2HG GLN 47 2HG GLN 47 -0.498 10.816 -7.156 353 1HE2 GLN 47 1HE2 GLN 47 2.608 12.390 -7.805 354 2HE2 GLN 47 2HE2 GLN 47 2.385 12.511 -9.514 355 H SER 48 H SER 48 -0.107 13.534 -3.585 356 HA SER 48 HA SER 48 1.765 15.553 -3.241 357 1HB SER 48 1HB SER 48 -0.756 14.841 -1.761 358 2HB SER 48 2HB SER 48 0.213 16.237 -1.288 359 HG SER 48 HG SER 48 -0.225 17.204 -3.185 360 H HIS 49 H HIS 49 0.882 12.941 -1.013 361 HA HIS 49 HA HIS 49 2.803 13.776 0.970 362 1HB HIS 49 1HB HIS 49 0.516 12.126 0.919 363 2HB HIS 49 2HB HIS 49 1.859 11.084 1.362 364 HD1 HIS 49 HD1 HIS 49 3.138 11.649 3.580 365 HD2 HIS 49 HD2 HIS 49 -0.313 13.901 2.871 366 HE1 HIS 49 HE1 HIS 49 2.536 12.733 5.792 367 HE2 HIS 49 HE2 HIS 49 0.394 13.988 5.359 368 H ASN 50 H ASN 50 2.944 11.966 -1.882 369 HA ASN 50 HA ASN 50 4.626 10.817 -2.889 370 1HB ASN 50 1HB ASN 50 6.333 11.379 -0.460 371 2HB ASN 50 2HB ASN 50 6.874 11.004 -2.094 372 1HD2 ASN 50 1HD2 ASN 50 5.937 13.442 0.086 373 2HD2 ASN 50 2HD2 ASN 50 6.063 14.783 -0.996 374 H ILE 51 H ILE 51 2.715 9.368 -1.533 375 HA ILE 51 HA ILE 51 4.244 7.198 -0.250 376 HB ILE 51 HB ILE 51 1.248 7.420 -0.173 377 1HG1 ILE 51 1HG1 ILE 51 3.027 8.418 2.040 378 2HG1 ILE 51 2HG1 ILE 51 2.463 9.490 0.764 379 1HG2 ILE 51 1HG2 ILE 51 2.173 5.273 0.411 380 2HG2 ILE 51 2HG2 ILE 51 1.538 6.051 1.861 381 3HG2 ILE 51 3HG2 ILE 51 3.276 6.025 1.563 382 1HD1 ILE 51 1HD1 ILE 51 1.162 8.941 3.120 383 2HD1 ILE 51 2HD1 ILE 51 0.314 7.936 1.945 384 3HD1 ILE 51 3HD1 ILE 51 0.445 9.675 1.685 385 HA PRO 52 HA PRO 52 3.531 5.313 -4.354 386 1HB PRO 52 1HB PRO 52 4.995 3.147 -2.926 387 2HB PRO 52 2HB PRO 52 5.267 3.814 -4.540 388 1HG PRO 52 1HG PRO 52 6.891 4.435 -2.523 389 2HG PRO 52 2HG PRO 52 6.430 5.651 -3.729 390 1HD PRO 52 1HD PRO 52 5.465 5.297 -0.926 391 2HD PRO 52 2HD PRO 52 5.751 6.790 -1.843 392 H VAL 53 H VAL 53 1.443 4.710 -4.496 393 HA VAL 53 HA VAL 53 0.637 2.173 -3.352 394 HB VAL 53 HB VAL 53 -0.990 4.651 -2.741 395 1HG1 VAL 53 1HG1 VAL 53 -1.374 1.757 -1.995 396 2HG1 VAL 53 2HG1 VAL 53 -2.404 2.730 -3.044 397 3HG1 VAL 53 3HG1 VAL 53 -2.302 3.096 -1.323 398 1HG2 VAL 53 1HG2 VAL 53 -0.423 4.026 -0.346 399 2HG2 VAL 53 2HG2 VAL 53 0.870 4.753 -1.299 400 3HG2 VAL 53 3HG2 VAL 53 0.851 3.011 -1.022 401 H GLU 54 H GLU 54 -1.424 1.407 -4.261 402 HA GLU 54 HA GLU 54 -2.080 2.738 -6.811 403 1HB GLU 54 1HB GLU 54 -2.367 -0.227 -6.457 404 2HB GLU 54 2HB GLU 54 -2.216 0.701 -7.941 405 1HG GLU 54 1HG GLU 54 0.156 1.141 -6.513 406 2HG GLU 54 2HG GLU 54 -0.188 -0.582 -6.379 407 H LEU 55 H LEU 55 -4.072 3.527 -6.770 408 HA LEU 55 HA LEU 55 -6.054 2.411 -4.953 409 1HB LEU 55 1HB LEU 55 -5.737 4.843 -5.058 410 2HB LEU 55 2HB LEU 55 -6.171 4.830 -6.758 411 HG LEU 55 HG LEU 55 -8.428 3.891 -6.024 412 1HD1 LEU 55 1HD1 LEU 55 -7.133 4.388 -3.413 413 2HD1 LEU 55 2HD1 LEU 55 -8.352 3.198 -3.871 414 3HD1 LEU 55 3HD1 LEU 55 -8.821 4.871 -3.572 415 1HD2 LEU 55 1HD2 LEU 55 -7.595 6.675 -5.217 416 2HD2 LEU 55 2HD2 LEU 55 -9.263 6.134 -5.403 417 3HD2 LEU 55 3HD2 LEU 55 -8.185 6.163 -6.798 418 H ILE 56 H ILE 56 -7.325 0.838 -5.612 419 HA ILE 56 HA ILE 56 -7.957 0.583 -8.469 420 HB ILE 56 HB ILE 56 -6.903 -1.367 -7.432 421 1HG1 ILE 56 1HG1 ILE 56 -9.650 -2.367 -7.877 422 2HG1 ILE 56 2HG1 ILE 56 -8.947 -1.401 -9.171 423 1HG2 ILE 56 1HG2 ILE 56 -7.382 -1.692 -5.284 424 2HG2 ILE 56 2HG2 ILE 56 -8.712 -2.662 -5.918 425 3HG2 ILE 56 3HG2 ILE 56 -8.989 -0.993 -5.440 426 1HD1 ILE 56 1HD1 ILE 56 -6.916 -3.116 -8.604 427 2HD1 ILE 56 2HD1 ILE 56 -8.117 -3.347 -9.875 428 3HD1 ILE 56 3HD1 ILE 56 -8.335 -4.122 -8.306 429 H GLN 57 H GLN 57 -10.141 0.172 -9.145 430 HA GLN 57 HA GLN 57 -12.173 0.933 -7.157 431 1HB GLN 57 1HB GLN 57 -12.049 1.803 -10.052 432 2HB GLN 57 2HB GLN 57 -13.358 2.165 -8.936 433 1HG GLN 57 1HG GLN 57 -12.211 3.802 -7.904 434 2HG GLN 57 2HG GLN 57 -10.666 2.965 -8.053 435 1HE2 GLN 57 1HE2 GLN 57 -9.721 2.919 -10.250 436 2HE2 GLN 57 2HE2 GLN 57 -9.913 4.320 -11.243 437 H CYS 58 H CYS 58 -14.023 -0.272 -7.150 438 HA CYS 58 HA CYS 58 -14.613 -2.047 -9.377 439 1HB CYS 58 1HB CYS 58 -13.502 -2.935 -6.806 440 2HB CYS 58 2HB CYS 58 -14.915 -3.830 -7.348 441 HG CYS 58 HG CYS 58 -12.131 -3.984 -8.550 442 H ARG 59 H ARG 59 -16.697 -3.319 -8.926 443 HA ARG 59 HA ARG 59 -18.667 -1.437 -8.031 444 1HB ARG 59 1HB ARG 59 -18.621 -3.450 -9.898 445 2HB ARG 59 2HB ARG 59 -19.561 -4.172 -8.600 446 1HG ARG 59 1HG ARG 59 -20.730 -1.751 -8.739 447 2HG ARG 59 2HG ARG 59 -20.229 -1.960 -10.418 448 1HD ARG 59 1HD ARG 59 -21.348 -4.411 -9.496 449 2HD ARG 59 2HD ARG 59 -22.453 -3.102 -9.080 450 HE ARG 59 HE ARG 59 -21.601 -2.799 -11.744 451 1HH1 ARG 59 1HH1 ARG 59 -23.623 -4.855 -9.779 452 2HH1 ARG 59 2HH1 ARG 59 -24.683 -5.271 -11.084 453 1HH2 ARG 59 1HH2 ARG 59 -22.995 -3.345 -13.461 454 2HH2 ARG 59 2HH2 ARG 59 -24.326 -4.415 -13.175 455 H VAL 60 H VAL 60 -20.632 -3.024 -6.960 456 HA VAL 60 HA VAL 60 -19.795 -3.193 -4.240 457 HB VAL 60 HB VAL 60 -22.394 -4.211 -5.382 458 1HG1 VAL 60 1HG1 VAL 60 -21.307 -4.125 -2.756 459 2HG1 VAL 60 2HG1 VAL 60 -22.898 -4.683 -3.274 460 3HG1 VAL 60 3HG1 VAL 60 -22.657 -2.992 -2.836 461 1HG2 VAL 60 1HG2 VAL 60 -21.753 -1.417 -4.437 462 2HG2 VAL 60 2HG2 VAL 60 -23.325 -2.004 -4.981 463 3HG2 VAL 60 3HG2 VAL 60 -21.982 -1.899 -6.119 464 H ASN 61 H ASN 61 -19.977 -5.470 -6.832 465 HA ASN 61 HA ASN 61 -19.159 -7.590 -4.980 466 1HB ASN 61 1HB ASN 61 -21.201 -8.005 -7.172 467 2HB ASN 61 2HB ASN 61 -20.608 -9.222 -6.045 468 1HD2 ASN 61 1HD2 ASN 61 -21.669 -9.509 -4.207 469 2HD2 ASN 61 2HD2 ASN 61 -22.899 -8.468 -3.585 470 H GLU 62 H GLU 62 -17.076 -7.015 -5.840 471 HA GLU 62 HA GLU 62 -16.306 -8.701 -8.011 472 1HB GLU 62 1HB GLU 62 -16.838 -5.885 -8.537 473 2HB GLU 62 2HB GLU 62 -15.190 -6.336 -8.954 474 1HG GLU 62 1HG GLU 62 -16.077 -8.175 -10.333 475 2HG GLU 62 2HG GLU 62 -17.713 -7.629 -9.966 476 H ILE 63 H ILE 63 -15.511 -6.217 -5.683 477 HA ILE 63 HA ILE 63 -12.729 -6.271 -5.820 478 HB ILE 63 HB ILE 63 -12.803 -5.475 -3.451 479 1HG1 ILE 63 1HG1 ILE 63 -15.794 -5.779 -3.829 480 2HG1 ILE 63 2HG1 ILE 63 -14.804 -6.742 -2.738 481 1HG2 ILE 63 1HG2 ILE 63 -14.751 -4.114 -5.297 482 2HG2 ILE 63 2HG2 ILE 63 -12.996 -4.023 -5.443 483 3HG2 ILE 63 3HG2 ILE 63 -13.796 -3.366 -4.014 484 1HD1 ILE 63 1HD1 ILE 63 -14.384 -4.882 -1.342 485 2HD1 ILE 63 2HD1 ILE 63 -16.114 -4.879 -1.688 486 3HD1 ILE 63 3HD1 ILE 63 -15.044 -3.757 -2.529 487 H GLU 64 H GLU 64 -14.973 -8.351 -4.082 488 HA GLU 64 HA GLU 64 -13.207 -9.713 -2.428 489 1HB GLU 64 1HB GLU 64 -14.864 -11.507 -2.391 490 2HB GLU 64 2HB GLU 64 -15.651 -9.937 -2.294 491 1HG GLU 64 1HG GLU 64 -16.110 -10.073 -4.725 492 2HG GLU 64 2HG GLU 64 -15.438 -11.702 -4.721 493 H THR 65 H THR 65 -14.059 -10.299 -5.808 494 HA THR 65 HA THR 65 -12.428 -12.658 -6.017 495 HB THR 65 HB THR 65 -12.914 -11.910 -8.601 496 HG1 THR 65 HG1 THR 65 -14.097 -10.082 -7.937 497 1HG2 THR 65 1HG2 THR 65 -15.247 -13.156 -8.030 498 2HG2 THR 65 2HG2 THR 65 -14.239 -13.659 -6.672 499 3HG2 THR 65 3HG2 THR 65 -13.713 -13.975 -8.325 500 H TYR 66 H TYR 66 -12.139 -9.258 -6.953 501 HA TYR 66 HA TYR 66 -9.619 -9.648 -8.266 502 1HB TYR 66 1HB TYR 66 -11.379 -7.325 -7.653 503 2HB TYR 66 2HB TYR 66 -9.680 -7.003 -7.974 504 HD1 TYR 66 HD1 TYR 66 -12.409 -6.412 -9.538 505 HD2 TYR 66 HD2 TYR 66 -9.175 -9.116 -10.058 506 HE1 TYR 66 HE1 TYR 66 -12.862 -6.469 -11.950 507 HE2 TYR 66 HE2 TYR 66 -9.623 -9.191 -12.476 508 HH TYR 66 HH TYR 66 -10.712 -8.054 -14.189 509 H MET 67 H MET 67 -10.143 -10.139 -5.214 510 HA MET 67 HA MET 67 -8.441 -8.355 -3.816 511 1HB MET 67 1HB MET 67 -10.110 -10.584 -3.220 512 2HB MET 67 2HB MET 67 -8.530 -10.905 -2.523 513 1HG MET 67 1HG MET 67 -9.698 -8.222 -2.071 514 2HG MET 67 2HG MET 67 -10.433 -9.588 -1.234 515 1HE MET 67 1HE MET 67 -9.549 -7.382 0.330 516 2HE MET 67 2HE MET 67 -8.176 -7.699 1.389 517 3HE MET 67 3HE MET 67 -9.585 -8.759 1.431 518 H ASP 68 H ASP 68 -6.996 -9.017 -6.057 519 HA ASP 68 HA ASP 68 -5.253 -11.178 -5.896 520 1HB ASP 68 1HB ASP 68 -5.605 -9.552 -7.833 521 2HB ASP 68 2HB ASP 68 -4.486 -8.478 -6.999 522 H GLY 69 H GLY 69 -4.920 -7.890 -4.596 523 1HA GLY 69 1HA GLY 69 -3.359 -8.765 -2.396 524 2HA GLY 69 2HA GLY 69 -2.321 -8.065 -3.628 525 H VAL 70 H VAL 70 -5.451 -7.279 -2.092 526 HA VAL 70 HA VAL 70 -4.780 -4.453 -2.195 527 HB VAL 70 HB VAL 70 -7.043 -4.110 -1.213 528 1HG1 VAL 70 1HG1 VAL 70 -7.145 -3.895 -3.486 529 2HG1 VAL 70 2HG1 VAL 70 -8.243 -5.257 -3.260 530 3HG1 VAL 70 3HG1 VAL 70 -6.581 -5.541 -3.779 531 1HG2 VAL 70 1HG2 VAL 70 -8.276 -5.761 -0.361 532 2HG2 VAL 70 2HG2 VAL 70 -6.816 -6.748 -0.430 533 3HG2 VAL 70 3HG2 VAL 70 -7.983 -6.805 -1.752 534 H HIS 71 H HIS 71 -4.034 -3.287 -0.539 535 HA HIS 71 HA HIS 71 -3.543 -4.642 1.989 536 1HB HIS 71 1HB HIS 71 -1.876 -3.152 0.608 537 2HB HIS 71 2HB HIS 71 -2.684 -1.828 1.442 538 HD1 HIS 71 HD1 HIS 71 -1.773 -1.226 3.662 539 HD2 HIS 71 HD2 HIS 71 -0.765 -5.119 2.525 540 HE1 HIS 71 HE1 HIS 71 -0.214 -2.104 5.459 541 HE2 HIS 71 HE2 HIS 71 0.454 -4.409 4.693 542 H LEU 72 H LEU 72 -5.723 -2.345 0.649 543 HA LEU 72 HA LEU 72 -7.021 -2.045 3.235 544 1HB LEU 72 1HB LEU 72 -6.148 0.325 1.589 545 2HB LEU 72 2HB LEU 72 -7.260 0.411 2.934 546 HG LEU 72 HG LEU 72 -4.915 -0.866 3.888 547 1HD1 LEU 72 1HD1 LEU 72 -3.241 -0.015 2.702 548 2HD1 LEU 72 2HD1 LEU 72 -3.679 1.568 3.343 549 3HD1 LEU 72 3HD1 LEU 72 -4.329 1.035 1.798 550 1HD2 LEU 72 1HD2 LEU 72 -6.581 1.452 4.452 551 2HD2 LEU 72 2HD2 LEU 72 -4.888 1.700 4.875 552 3HD2 LEU 72 3HD2 LEU 72 -5.776 0.338 5.556 553 H ILE 73 H ILE 73 -9.249 -1.643 3.062 554 HA ILE 73 HA ILE 73 -10.283 -1.646 0.302 555 HB ILE 73 HB ILE 73 -12.089 -2.769 2.268 556 1HG1 ILE 73 1HG1 ILE 73 -9.889 -3.393 3.281 557 2HG1 ILE 73 2HG1 ILE 73 -10.882 -4.749 2.812 558 1HG2 ILE 73 1HG2 ILE 73 -10.864 -4.026 -0.173 559 2HG2 ILE 73 2HG2 ILE 73 -12.277 -2.968 -0.197 560 3HG2 ILE 73 3HG2 ILE 73 -12.345 -4.509 0.654 561 1HD1 ILE 73 1HD1 ILE 73 -8.232 -4.324 2.159 562 2HD1 ILE 73 2HD1 ILE 73 -9.119 -3.982 0.673 563 3HD1 ILE 73 3HD1 ILE 73 -9.309 -5.541 1.475 564 H CYS 74 H CYS 74 -11.841 -0.186 -0.207 565 HA CYS 74 HA CYS 74 -13.033 1.325 2.021 566 1HB CYS 74 1HB CYS 74 -12.187 2.457 -0.653 567 2HB CYS 74 2HB CYS 74 -12.953 3.354 0.655 568 HG CYS 74 HG CYS 74 -10.008 2.445 0.588 569 H THR 75 H THR 75 -15.055 0.569 2.100 570 HA THR 75 HA THR 75 -16.720 0.897 -0.276 571 HB THR 75 HB THR 75 -16.648 -1.627 1.395 572 HG1 THR 75 HG1 THR 75 -15.140 -1.078 -0.573 573 1HG2 THR 75 1HG2 THR 75 -18.205 -2.426 -0.493 574 2HG2 THR 75 2HG2 THR 75 -18.550 -0.711 -0.713 575 3HG2 THR 75 3HG2 THR 75 -18.880 -1.486 0.836 576 H THR 76 H THR 76 -18.943 1.189 0.194 577 HA THR 76 HA THR 76 -19.391 2.277 2.857 578 HB THR 76 HB THR 76 -21.586 2.391 0.895 579 HG1 THR 76 HG1 THR 76 -20.046 2.683 -0.612 580 1HG2 THR 76 1HG2 THR 76 -22.045 4.346 1.862 581 2HG2 THR 76 2HG2 THR 76 -20.358 4.862 1.845 582 3HG2 THR 76 3HG2 THR 76 -20.941 3.797 3.124 583 H ALA 77 H ALA 77 -19.369 0.099 3.816 584 HA ALA 77 HA ALA 77 -21.921 -0.780 4.502 585 1HB ALA 77 1HB ALA 77 -22.547 -2.229 2.940 586 2HB ALA 77 2HB ALA 77 -21.041 -3.128 3.128 587 3HB ALA 77 3HB ALA 77 -21.131 -1.785 1.988 588 H ARG 78 H ARG 78 -21.725 -3.216 5.392 589 HA ARG 78 HA ARG 78 -19.171 -3.343 6.856 590 1HB ARG 78 1HB ARG 78 -20.392 -4.287 8.751 591 2HB ARG 78 2HB ARG 78 -21.022 -2.702 8.326 592 1HG ARG 78 1HG ARG 78 -22.541 -4.535 6.857 593 2HG ARG 78 2HG ARG 78 -22.375 -5.228 8.472 594 1HD ARG 78 1HD ARG 78 -22.906 -2.624 9.049 595 2HD ARG 78 2HD ARG 78 -23.844 -2.849 7.574 596 HE ARG 78 HE ARG 78 -24.623 -4.968 8.941 597 1HH1 ARG 78 1HH1 ARG 78 -24.194 -1.677 10.040 598 2HH1 ARG 78 2HH1 ARG 78 -25.398 -1.807 11.278 599 1HH2 ARG 78 1HH2 ARG 78 -26.206 -5.129 10.566 600 2HH2 ARG 78 2HH2 ARG 78 -26.540 -3.762 11.576 601 H VAL 79 H VAL 79 -18.836 -4.617 4.702 602 HA VAL 79 HA VAL 79 -19.882 -7.318 4.769 603 HB VAL 79 HB VAL 79 -18.542 -7.681 2.732 604 1HG1 VAL 79 1HG1 VAL 79 -20.697 -5.800 3.053 605 2HG1 VAL 79 2HG1 VAL 79 -20.414 -6.973 1.768 606 3HG1 VAL 79 3HG1 VAL 79 -19.695 -5.366 1.669 607 1HG2 VAL 79 1HG2 VAL 79 -17.622 -4.858 3.246 608 2HG2 VAL 79 2HG2 VAL 79 -17.465 -5.664 1.685 609 3HG2 VAL 79 3HG2 VAL 79 -16.634 -6.311 3.099 610 H ASP 80 H ASP 80 -18.023 -6.247 6.897 611 HA ASP 80 HA ASP 80 -15.635 -7.863 6.558 612 1HB ASP 80 1HB ASP 80 -15.662 -5.554 7.628 613 2HB ASP 80 2HB ASP 80 -16.450 -6.307 9.012 614 H ARG 81 H ARG 81 -18.719 -8.536 7.422 615 HA ARG 81 HA ARG 81 -18.049 -10.355 9.605 616 1HB ARG 81 1HB ARG 81 -20.587 -9.237 8.506 617 2HB ARG 81 2HB ARG 81 -20.650 -10.772 9.360 618 1HG ARG 81 1HG ARG 81 -21.059 -9.288 11.059 619 2HG ARG 81 2HG ARG 81 -19.311 -9.493 11.193 620 1HD ARG 81 1HD ARG 81 -18.867 -7.391 10.438 621 2HD ARG 81 2HD ARG 81 -20.298 -7.342 9.407 622 HE ARG 81 HE ARG 81 -20.086 -6.362 12.059 623 1HH1 ARG 81 1HH1 ARG 81 -22.303 -7.941 9.876 624 2HH1 ARG 81 2HH1 ARG 81 -23.716 -7.324 10.665 625 1HH2 ARG 81 1HH2 ARG 81 -21.944 -5.550 13.099 626 2HH2 ARG 81 2HH2 ARG 81 -23.512 -5.966 12.494 627 H SER 82 H SER 82 -18.058 -10.459 6.297 628 HA SER 82 HA SER 82 -18.559 -13.361 6.298 629 1HB SER 82 1HB SER 82 -18.957 -11.622 3.869 630 2HB SER 82 2HB SER 82 -19.556 -13.254 4.161 631 HG SER 82 HG SER 82 -20.429 -10.832 5.333 632 H PHE 83 H PHE 83 -16.484 -10.739 5.384 633 HA PHE 83 HA PHE 83 -14.848 -12.243 3.581 634 1HB PHE 83 1HB PHE 83 -14.746 -9.536 4.824 635 2HB PHE 83 2HB PHE 83 -13.252 -10.199 4.169 636 HD1 PHE 83 HD1 PHE 83 -16.835 -9.914 3.147 637 HD2 PHE 83 HD2 PHE 83 -12.746 -9.581 2.026 638 HE1 PHE 83 HE1 PHE 83 -17.515 -9.179 0.900 639 HE2 PHE 83 HE2 PHE 83 -13.417 -8.842 -0.224 640 HZ PHE 83 HZ PHE 83 -15.806 -8.639 -0.788 641 H GLY 84 H GLY 84 -14.527 -11.205 6.973 642 1HA GLY 84 1HA GLY 84 -13.555 -13.027 8.417 643 2HA GLY 84 2HA GLY 84 -12.265 -13.091 7.225 644 H ASP 85 H ASP 85 -11.165 -10.915 6.843 645 HA ASP 85 HA ASP 85 -11.063 -9.234 9.231 646 1HB ASP 85 1HB ASP 85 -9.324 -11.192 9.275 647 2HB ASP 85 2HB ASP 85 -8.469 -10.214 8.087 648 H ILE 86 H ILE 86 -11.754 -9.173 6.246 649 HA ILE 86 HA ILE 86 -9.987 -7.692 4.764 650 HB ILE 86 HB ILE 86 -12.042 -8.584 3.832 651 1HG1 ILE 86 1HG1 ILE 86 -12.748 -5.862 3.241 652 2HG1 ILE 86 2HG1 ILE 86 -11.000 -6.023 3.342 653 1HG2 ILE 86 1HG2 ILE 86 -13.572 -8.285 5.625 654 2HG2 ILE 86 2HG2 ILE 86 -14.184 -7.363 4.251 655 3HG2 ILE 86 3HG2 ILE 86 -13.375 -6.533 5.573 656 1HD1 ILE 86 1HD1 ILE 86 -11.216 -6.539 1.175 657 2HD1 ILE 86 2HD1 ILE 86 -12.885 -7.082 1.354 658 3HD1 ILE 86 3HD1 ILE 86 -11.554 -8.146 1.814 659 HA PRO 87 HA PRO 87 -9.791 -4.072 7.520 660 1HB PRO 87 1HB PRO 87 -7.720 -2.900 6.182 661 2HB PRO 87 2HB PRO 87 -7.506 -4.179 7.382 662 1HG PRO 87 1HG PRO 87 -7.592 -4.387 4.391 663 2HG PRO 87 2HG PRO 87 -6.460 -5.142 5.530 664 1HD PRO 87 1HD PRO 87 -8.509 -6.521 4.492 665 2HD PRO 87 2HD PRO 87 -7.993 -6.761 6.174 666 H LEU 88 H LEU 88 -11.973 -3.767 6.171 667 HA LEU 88 HA LEU 88 -11.597 -1.667 4.174 668 1HB LEU 88 1HB LEU 88 -13.746 -2.076 3.383 669 2HB LEU 88 2HB LEU 88 -13.107 -3.661 3.765 670 HG LEU 88 HG LEU 88 -14.583 -2.519 6.003 671 1HD1 LEU 88 1HD1 LEU 88 -15.681 -1.708 3.687 672 2HD1 LEU 88 2HD1 LEU 88 -16.615 -2.103 5.129 673 3HD1 LEU 88 3HD1 LEU 88 -16.430 -3.298 3.844 674 1HD2 LEU 88 1HD2 LEU 88 -14.822 -5.038 4.372 675 2HD2 LEU 88 2HD2 LEU 88 -15.731 -4.702 5.845 676 3HD2 LEU 88 3HD2 LEU 88 -13.975 -4.841 5.906 677 H VAL 89 H VAL 89 -13.048 0.209 4.179 678 HA VAL 89 HA VAL 89 -13.916 1.044 6.851 679 HB VAL 89 HB VAL 89 -12.946 3.324 6.398 680 1HG1 VAL 89 1HG1 VAL 89 -10.817 2.783 7.299 681 2HG1 VAL 89 2HG1 VAL 89 -10.862 1.163 6.603 682 3HG1 VAL 89 3HG1 VAL 89 -11.954 1.587 7.921 683 1HG2 VAL 89 1HG2 VAL 89 -11.879 1.843 4.058 684 2HG2 VAL 89 2HG2 VAL 89 -10.817 3.013 4.840 685 3HG2 VAL 89 3HG2 VAL 89 -12.377 3.528 4.201 686 H HIS 90 H HIS 90 -15.517 2.652 6.880 687 HA HIS 90 HA HIS 90 -17.179 2.674 4.509 688 1HB HIS 90 1HB HIS 90 -17.816 4.147 7.047 689 2HB HIS 90 2HB HIS 90 -18.920 3.409 5.891 690 HD1 HIS 90 HD1 HIS 90 -16.703 2.618 8.812 691 HD2 HIS 90 HD2 HIS 90 -19.418 0.686 6.288 692 HE1 HIS 90 HE1 HIS 90 -17.163 0.359 9.869 693 HE2 HIS 90 HE2 HIS 90 -18.862 -0.746 8.371 694 H GLY 91 H GLY 91 -17.868 4.517 3.404 695 1HA GLY 91 1HA GLY 91 -16.101 6.852 3.754 696 2HA GLY 91 2HA GLY 91 -16.828 6.367 2.229 697 H MET 92 H MET 92 -18.616 6.372 5.233 698 HA MET 92 HA MET 92 -20.752 7.839 4.230 699 1HB MET 92 1HB MET 92 -20.721 6.389 6.303 700 2HB MET 92 2HB MET 92 -19.973 7.737 7.144 701 1HG MET 92 1HG MET 92 -22.044 8.357 7.650 702 2HG MET 92 2HG MET 92 -22.147 8.915 5.981 703 1HE MET 92 1HE MET 92 -23.105 7.045 3.945 704 2HE MET 92 2HE MET 92 -23.948 8.440 4.618 705 3HE MET 92 3HE MET 92 -24.796 6.906 4.427 706 HA PRO 93 HA PRO 93 -18.919 11.789 6.255 707 1HB PRO 93 1HB PRO 93 -16.399 11.779 7.178 708 2HB PRO 93 2HB PRO 93 -17.752 11.199 8.158 709 1HG PRO 93 1HG PRO 93 -15.760 9.628 6.564 710 2HG PRO 93 2HG PRO 93 -16.367 9.326 8.203 711 1HD PRO 93 1HD PRO 93 -17.304 8.032 5.994 712 2HD PRO 93 2HD PRO 93 -18.287 8.333 7.439 713 H PHE 94 H PHE 94 -17.083 9.788 4.111 714 HA PHE 94 HA PHE 94 -15.482 11.938 3.035 715 1HB PHE 94 1HB PHE 94 -15.518 9.083 2.864 716 2HB PHE 94 2HB PHE 94 -15.596 9.729 1.231 717 HD1 PHE 94 HD1 PHE 94 -13.450 8.889 0.608 718 HD2 PHE 94 HD2 PHE 94 -13.850 11.504 3.946 719 HE1 PHE 94 HE1 PHE 94 -11.012 9.226 0.634 720 HE2 PHE 94 HE2 PHE 94 -11.414 11.845 3.971 721 HZ PHE 94 HZ PHE 94 -9.993 10.706 2.317 722 H VAL 95 H VAL 95 -18.429 10.218 2.160 723 HA VAL 95 HA VAL 95 -18.720 11.552 -0.367 724 HB VAL 95 HB VAL 95 -19.672 9.321 -0.017 725 1HG1 VAL 95 1HG1 VAL 95 -21.691 10.608 1.809 726 2HG1 VAL 95 2HG1 VAL 95 -20.290 9.701 2.376 727 3HG1 VAL 95 3HG1 VAL 95 -21.527 8.898 1.412 728 1HG2 VAL 95 1HG2 VAL 95 -21.148 11.599 -1.037 729 2HG2 VAL 95 2HG2 VAL 95 -22.216 10.297 -0.520 730 3HG2 VAL 95 3HG2 VAL 95 -20.957 9.982 -1.712 731 H SER 96 H SER 96 -19.537 12.279 2.898 732 HA SER 96 HA SER 96 -21.774 13.884 2.653 733 1HB SER 96 1HB SER 96 -21.328 14.604 4.796 734 2HB SER 96 2HB SER 96 -20.321 13.160 4.737 735 HG SER 96 HG SER 96 -19.228 15.026 5.557 736 H GLY 97 H GLY 97 -18.522 14.536 1.629 737 1HA GLY 97 1HA GLY 97 -17.741 16.239 0.269 738 2HA GLY 97 2HA GLY 97 -19.376 16.874 0.206 739 H VAL 98 H VAL 98 -18.622 16.537 3.413 740 HA VAL 98 HA VAL 98 -17.410 19.208 3.583 741 HB VAL 98 HB VAL 98 -19.813 19.458 3.933 742 1HG1 VAL 98 1HG1 VAL 98 -20.464 18.356 6.321 743 2HG1 VAL 98 2HG1 VAL 98 -19.397 17.118 5.660 744 3HG1 VAL 98 3HG1 VAL 98 -20.824 17.626 4.757 745 1HG2 VAL 98 1HG2 VAL 98 -18.258 20.893 5.181 746 2HG2 VAL 98 2HG2 VAL 98 -18.270 19.735 6.512 747 3HG2 VAL 98 3HG2 VAL 98 -19.747 20.598 6.080 748 H GLY 99 H GLY 99 -17.723 15.996 4.864 749 1HA GLY 99 1HA GLY 99 -16.079 16.661 7.192 750 2HA GLY 99 2HA GLY 99 -16.908 15.138 6.916 751 H ILE 100 H ILE 100 -15.295 16.203 4.141 752 HA ILE 100 HA ILE 100 -13.456 14.030 4.234 753 HB ILE 100 HB ILE 100 -13.221 16.375 2.369 754 1HG1 ILE 100 1HG1 ILE 100 -14.757 14.118 1.342 755 2HG1 ILE 100 2HG1 ILE 100 -15.564 14.944 2.671 756 1HG2 ILE 100 1HG2 ILE 100 -12.430 14.593 0.816 757 2HG2 ILE 100 2HG2 ILE 100 -12.508 13.460 2.165 758 3HG2 ILE 100 3HG2 ILE 100 -11.410 14.837 2.232 759 1HD1 ILE 100 1HD1 ILE 100 -15.850 15.690 0.149 760 2HD1 ILE 100 2HD1 ILE 100 -14.404 16.624 0.534 761 3HD1 ILE 100 3HD1 ILE 100 -15.875 16.844 1.481 762 H GLU 101 H GLU 101 -13.096 17.548 4.428 763 HA GLU 101 HA GLU 101 -10.355 17.750 4.650 764 1HB GLU 101 1HB GLU 101 -12.354 19.439 6.165 765 2HB GLU 101 2HB GLU 101 -10.711 19.891 5.732 766 1HG GLU 101 1HG GLU 101 -11.850 20.985 4.104 767 2HG GLU 101 2HG GLU 101 -11.595 19.443 3.290 768 H ALA 102 H ALA 102 -12.664 17.603 7.365 769 HA ALA 102 HA ALA 102 -10.732 17.420 9.390 770 1HB ALA 102 1HB ALA 102 -13.135 18.003 9.709 771 2HB ALA 102 2HB ALA 102 -12.524 16.806 10.851 772 3HB ALA 102 3HB ALA 102 -13.526 16.298 9.491 773 H LEU 103 H LEU 103 -12.556 14.875 7.701 774 HA LEU 103 HA LEU 103 -11.475 12.703 9.123 775 1HB LEU 103 1HB LEU 103 -13.465 12.851 7.424 776 2HB LEU 103 2HB LEU 103 -12.233 12.466 6.239 777 HG LEU 103 HG LEU 103 -11.702 10.469 7.844 778 1HD1 LEU 103 1HD1 LEU 103 -13.923 9.671 8.830 779 2HD1 LEU 103 2HD1 LEU 103 -14.434 11.354 8.703 780 3HD1 LEU 103 3HD1 LEU 103 -13.044 10.929 9.700 781 1HD2 LEU 103 1HD2 LEU 103 -12.386 9.785 5.782 782 2HD2 LEU 103 2HD2 LEU 103 -13.825 10.803 5.799 783 3HD2 LEU 103 3HD2 LEU 103 -13.801 9.296 6.716 784 H GLN 104 H GLN 104 -10.419 14.380 6.208 785 HA GLN 104 HA GLN 104 -8.380 12.652 5.410 786 1HB GLN 104 1HB GLN 104 -9.377 14.859 4.336 787 2HB GLN 104 2HB GLN 104 -7.989 15.591 5.123 788 1HG GLN 104 1HG GLN 104 -6.882 15.074 3.272 789 2HG GLN 104 2HG GLN 104 -6.882 13.422 3.888 790 1HE2 GLN 104 1HE2 GLN 104 -6.654 13.152 1.476 791 2HE2 GLN 104 2HE2 GLN 104 -8.112 12.943 0.576 792 H ASN 105 H ASN 105 -8.106 15.627 7.336 793 HA ASN 105 HA ASN 105 -5.406 15.445 7.938 794 1HB ASN 105 1HB ASN 105 -7.719 16.666 9.434 795 2HB ASN 105 2HB ASN 105 -6.065 16.779 10.029 796 1HD2 ASN 105 1HD2 ASN 105 -4.477 17.754 8.586 797 2HD2 ASN 105 2HD2 ASN 105 -4.985 19.015 7.519 798 H LYS 106 H LYS 106 -8.189 14.062 9.655 799 HA LYS 106 HA LYS 106 -6.655 12.972 11.773 800 1HB LYS 106 1HB LYS 106 -9.201 13.423 11.650 801 2HB LYS 106 2HB LYS 106 -9.291 11.852 10.866 802 1HG LYS 106 1HG LYS 106 -8.944 10.732 12.780 803 2HG LYS 106 2HG LYS 106 -7.754 11.895 13.367 804 1HD LYS 106 1HD LYS 106 -9.864 13.440 13.627 805 2HD LYS 106 2HD LYS 106 -10.725 11.900 13.654 806 1HE LYS 106 1HE LYS 106 -8.380 11.857 15.358 807 2HE LYS 106 2HE LYS 106 -9.486 13.156 15.802 808 1HZ LYS 106 1HZ LYS 106 -11.280 11.397 15.736 809 2HZ LYS 106 2HZ LYS 106 -10.178 11.296 17.015 810 3HZ LYS 106 3HZ LYS 106 -10.035 10.251 15.693 811 H ILE 107 H ILE 107 -7.882 11.612 8.716 812 HA ILE 107 HA ILE 107 -6.935 9.007 9.273 813 HB ILE 107 HB ILE 107 -8.707 9.559 7.584 814 1HG1 ILE 107 1HG1 ILE 107 -8.111 7.719 6.105 815 2HG1 ILE 107 2HG1 ILE 107 -6.422 7.848 6.588 816 1HG2 ILE 107 1HG2 ILE 107 -7.295 9.768 5.228 817 2HG2 ILE 107 2HG2 ILE 107 -6.479 10.904 6.299 818 3HG2 ILE 107 3HG2 ILE 107 -8.211 11.046 6.016 819 1HD1 ILE 107 1HD1 ILE 107 -6.761 6.555 8.351 820 2HD1 ILE 107 2HD1 ILE 107 -8.377 6.235 7.719 821 3HD1 ILE 107 3HD1 ILE 107 -8.127 7.535 8.884 822 H LEU 108 H LEU 108 -5.447 11.797 7.731 823 HA LEU 108 HA LEU 108 -3.200 10.373 6.707 824 1HB LEU 108 1HB LEU 108 -3.841 13.261 7.157 825 2HB LEU 108 2HB LEU 108 -2.199 12.789 6.762 826 HG LEU 108 HG LEU 108 -4.230 11.664 4.963 827 1HD1 LEU 108 1HD1 LEU 108 -4.695 13.702 3.776 828 2HD1 LEU 108 2HD1 LEU 108 -3.710 14.631 4.906 829 3HD1 LEU 108 3HD1 LEU 108 -5.210 13.884 5.453 830 1HD2 LEU 108 1HD2 LEU 108 -2.366 11.440 3.781 831 2HD2 LEU 108 2HD2 LEU 108 -1.464 12.396 4.956 832 3HD2 LEU 108 3HD2 LEU 108 -2.287 13.194 3.615 833 H THR 109 H THR 109 -3.808 12.220 9.660 834 HA THR 109 HA THR 109 -1.196 12.125 10.691 835 HB THR 109 HB THR 109 -3.803 12.246 12.221 836 HG1 THR 109 HG1 THR 109 -3.629 13.920 10.700 837 1HG2 THR 109 1HG2 THR 109 -0.977 12.744 13.009 838 2HG2 THR 109 2HG2 THR 109 -2.283 11.970 13.908 839 3HG2 THR 109 3HG2 THR 109 -2.263 13.724 13.715 840 H ILE 110 H ILE 110 -3.882 9.838 10.904 841 HA ILE 110 HA ILE 110 -2.406 8.146 12.740 842 HB ILE 110 HB ILE 110 -4.961 7.349 11.364 843 1HG1 ILE 110 1HG1 ILE 110 -4.683 8.994 13.891 844 2HG1 ILE 110 2HG1 ILE 110 -5.316 9.571 12.358 845 1HG2 ILE 110 1HG2 ILE 110 -3.264 6.099 13.206 846 2HG2 ILE 110 2HG2 ILE 110 -4.875 5.582 12.710 847 3HG2 ILE 110 3HG2 ILE 110 -4.678 6.609 14.129 848 1HD1 ILE 110 1HD1 ILE 110 -6.984 7.553 12.695 849 2HD1 ILE 110 2HD1 ILE 110 -7.265 9.129 13.435 850 3HD1 ILE 110 3HD1 ILE 110 -6.567 7.818 14.388 851 H LEU 111 H LEU 111 -3.408 8.063 9.325 852 HA LEU 111 HA LEU 111 -2.540 5.474 8.733 853 1HB LEU 111 1HB LEU 111 -3.090 7.916 7.169 854 2HB LEU 111 2HB LEU 111 -2.010 6.773 6.404 855 HG LEU 111 HG LEU 111 -4.870 6.307 7.241 856 1HD1 LEU 111 1HD1 LEU 111 -5.330 6.102 4.953 857 2HD1 LEU 111 2HD1 LEU 111 -3.624 5.938 4.535 858 3HD1 LEU 111 3HD1 LEU 111 -4.256 7.497 5.067 859 1HD2 LEU 111 1HD2 LEU 111 -3.264 4.353 7.692 860 2HD2 LEU 111 2HD2 LEU 111 -3.118 4.245 5.940 861 3HD2 LEU 111 3HD2 LEU 111 -4.692 4.037 6.708 862 H GLN 112 H GLN 112 -0.771 8.492 8.969 863 HA GLN 112 HA GLN 112 1.671 7.364 7.940 864 1HB GLN 112 1HB GLN 112 2.670 9.522 8.500 865 2HB GLN 112 2HB GLN 112 1.167 9.742 7.615 866 1HG GLN 112 1HG GLN 112 0.687 11.224 9.207 867 2HG GLN 112 2HG GLN 112 0.291 9.812 10.187 868 1HE2 GLN 112 1HE2 GLN 112 1.618 12.621 10.539 869 2HE2 GLN 112 2HE2 GLN 112 2.940 12.276 11.596 870 H GLY 113 H GLY 113 0.214 7.925 11.067 871 1HA GLY 113 1HA GLY 113 1.028 6.230 12.745 872 2HA GLY 113 2HA GLY 113 2.635 6.814 12.343 Start of MODEL 13 1 1H MET 1 1H MET 1 27.510 -1.995 -6.037 2 2H MET 1 2H MET 1 28.085 -3.609 -6.008 3 3H MET 1 3H MET 1 27.638 -2.833 -4.554 4 HA MET 1 HA MET 1 25.433 -2.579 -6.057 5 1HB MET 1 1HB MET 1 25.038 -4.912 -6.892 6 2HB MET 1 2HB MET 1 26.252 -4.010 -7.785 7 1HG MET 1 1HG MET 1 27.853 -5.476 -7.302 8 2HG MET 1 2HG MET 1 27.387 -5.557 -5.605 9 1HE MET 1 1HE MET 1 24.506 -8.086 -5.596 10 2HE MET 1 2HE MET 1 25.005 -6.483 -5.062 11 3HE MET 1 3HE MET 1 25.971 -7.892 -4.634 12 H GLY 2 H GLY 2 27.005 -3.357 -3.347 13 1HA GLY 2 1HA GLY 2 24.665 -3.940 -1.879 14 2HA GLY 2 2HA GLY 2 25.589 -5.415 -2.118 15 H SER 3 H SER 3 25.181 -2.679 -0.204 16 HA SER 3 HA SER 3 27.789 -2.267 0.779 17 1HB SER 3 1HB SER 3 25.037 -1.600 1.711 18 2HB SER 3 2HB SER 3 26.351 -1.489 2.881 19 HG SER 3 HG SER 3 26.246 -0.188 0.358 20 H SER 4 H SER 4 29.009 -3.388 2.148 21 HA SER 4 HA SER 4 27.745 -5.406 3.873 22 1HB SER 4 1HB SER 4 29.893 -5.774 1.842 23 2HB SER 4 2HB SER 4 30.056 -6.658 3.358 24 HG SER 4 HG SER 4 28.878 -7.775 1.669 25 H HIS 5 H HIS 5 31.022 -4.185 3.206 26 HA HIS 5 HA HIS 5 31.192 -3.083 5.889 27 1HB HIS 5 1HB HIS 5 32.247 -5.642 5.297 28 2HB HIS 5 2HB HIS 5 33.620 -4.551 5.445 29 HD1 HIS 5 HD1 HIS 5 31.108 -3.211 7.587 30 HD2 HIS 5 HD2 HIS 5 33.790 -6.409 7.838 31 HE1 HIS 5 HE1 HIS 5 31.305 -3.775 10.051 32 HE2 HIS 5 HE2 HIS 5 32.989 -5.645 10.176 33 H HIS 6 H HIS 6 32.469 -3.432 2.662 34 HA HIS 6 HA HIS 6 33.458 -0.755 2.675 35 1HB HIS 6 1HB HIS 6 35.311 -1.990 3.823 36 2HB HIS 6 2HB HIS 6 35.511 -2.954 2.364 37 HD1 HIS 6 HD1 HIS 6 37.878 -2.122 1.899 38 HD2 HIS 6 HD2 HIS 6 35.015 0.916 2.102 39 HE1 HIS 6 HE1 HIS 6 39.008 -0.030 1.017 40 HE2 HIS 6 HE2 HIS 6 37.233 1.760 1.072 41 H HIS 7 H HIS 7 32.273 -0.366 0.859 42 HA HIS 7 HA HIS 7 33.247 -1.608 -1.601 43 1HB HIS 7 1HB HIS 7 30.710 -2.206 -0.431 44 2HB HIS 7 2HB HIS 7 30.431 -1.287 -1.906 45 HD1 HIS 7 HD1 HIS 7 30.813 -4.640 -0.772 46 HD2 HIS 7 HD2 HIS 7 32.054 -2.520 -4.155 47 HE1 HIS 7 HE1 HIS 7 31.341 -6.380 -2.540 48 HE2 HIS 7 HE2 HIS 7 32.162 -5.077 -4.535 49 H HIS 8 H HIS 8 31.891 -0.460 -3.509 50 HA HIS 8 HA HIS 8 32.082 2.429 -2.963 51 1HB HIS 8 1HB HIS 8 33.232 0.774 -5.049 52 2HB HIS 8 2HB HIS 8 32.258 2.073 -5.732 53 HD1 HIS 8 HD1 HIS 8 35.597 1.432 -4.977 54 HD2 HIS 8 HD2 HIS 8 33.046 4.637 -4.138 55 HE1 HIS 8 HE1 HIS 8 37.097 3.418 -4.489 56 HE2 HIS 8 HE2 HIS 8 35.532 5.351 -4.080 57 H HIS 9 H HIS 9 30.625 3.823 -4.066 58 HA HIS 9 HA HIS 9 28.097 2.507 -4.805 59 1HB HIS 9 1HB HIS 9 26.973 4.603 -4.073 60 2HB HIS 9 2HB HIS 9 27.824 3.780 -2.771 61 HD1 HIS 9 HD1 HIS 9 30.564 5.185 -4.292 62 HD2 HIS 9 HD2 HIS 9 27.332 6.878 -2.254 63 HE1 HIS 9 HE1 HIS 9 31.350 7.457 -3.491 64 HE2 HIS 9 HE2 HIS 9 29.414 8.412 -2.191 65 H HIS 10 H HIS 10 26.936 3.248 -6.574 66 HA HIS 10 HA HIS 10 28.502 4.867 -8.463 67 1HB HIS 10 1HB HIS 10 27.463 2.388 -8.842 68 2HB HIS 10 2HB HIS 10 26.144 3.383 -9.453 69 HD1 HIS 10 HD1 HIS 10 26.297 3.907 -11.853 70 HD2 HIS 10 HD2 HIS 10 30.054 3.249 -10.139 71 HE1 HIS 10 HE1 HIS 10 27.978 4.089 -13.745 72 HE2 HIS 10 HE2 HIS 10 30.218 3.606 -12.696 73 H HIS 11 H HIS 11 26.609 5.632 -10.246 74 HA HIS 11 HA HIS 11 24.371 6.873 -8.925 75 1HB HIS 11 1HB HIS 11 26.417 8.340 -8.450 76 2HB HIS 11 2HB HIS 11 26.396 8.729 -10.166 77 HD1 HIS 11 HD1 HIS 11 24.016 9.781 -11.034 78 HD2 HIS 11 HD2 HIS 11 24.841 9.950 -6.940 79 HE1 HIS 11 HE1 HIS 11 22.476 11.553 -10.078 80 HE2 HIS 11 HE2 HIS 11 23.054 11.688 -7.628 81 H HIS 12 H HIS 12 24.129 5.106 -10.854 82 HA HIS 12 HA HIS 12 23.817 6.574 -13.380 83 1HB HIS 12 1HB HIS 12 25.058 4.257 -13.091 84 2HB HIS 12 2HB HIS 12 23.420 3.617 -13.173 85 HD1 HIS 12 HD1 HIS 12 25.718 5.879 -15.213 86 HD2 HIS 12 HD2 HIS 12 22.539 3.208 -15.702 87 HE1 HIS 12 HE1 HIS 12 25.374 5.641 -17.715 88 HE2 HIS 12 HE2 HIS 12 23.374 4.129 -17.971 89 H GLU 13 H GLU 13 21.875 5.466 -14.693 90 HA GLU 13 HA GLU 13 19.510 6.322 -13.398 91 1HB GLU 13 1HB GLU 13 19.697 4.610 -15.877 92 2HB GLU 13 2HB GLU 13 18.362 5.651 -15.402 93 1HG GLU 13 1HG GLU 13 19.791 7.613 -15.686 94 2HG GLU 13 2HG GLU 13 21.125 6.565 -16.172 95 H ASN 14 H ASN 14 17.663 5.112 -12.812 96 HA ASN 14 HA ASN 14 18.196 2.277 -12.212 97 1HB ASN 14 1HB ASN 14 16.757 2.605 -10.174 98 2HB ASN 14 2HB ASN 14 18.300 3.450 -10.126 99 1HD2 ASN 14 1HD2 ASN 14 15.197 3.758 -9.333 100 2HD2 ASN 14 2HD2 ASN 14 15.001 5.470 -9.466 101 H LEU 15 H LEU 15 16.387 0.867 -12.236 102 HA LEU 15 HA LEU 15 14.345 1.702 -14.123 103 1HB LEU 15 1HB LEU 15 15.709 -0.591 -13.923 104 2HB LEU 15 2HB LEU 15 14.331 -1.016 -12.928 105 HG LEU 15 HG LEU 15 14.176 -1.724 -15.324 106 1HD1 LEU 15 1HD1 LEU 15 11.844 -0.129 -15.326 107 2HD1 LEU 15 2HD1 LEU 15 12.215 -0.525 -13.648 108 3HD1 LEU 15 3HD1 LEU 15 12.022 -1.813 -14.836 109 1HD2 LEU 15 1HD2 LEU 15 14.697 -0.255 -16.906 110 2HD2 LEU 15 2HD2 LEU 15 14.733 1.071 -15.748 111 3HD2 LEU 15 3HD2 LEU 15 13.214 0.614 -16.518 112 H TYR 16 H TYR 16 12.989 3.039 -12.985 113 HA TYR 16 HA TYR 16 11.872 2.262 -10.451 114 1HB TYR 16 1HB TYR 16 10.379 4.304 -10.898 115 2HB TYR 16 2HB TYR 16 12.106 4.588 -10.710 116 HD1 TYR 16 HD1 TYR 16 9.449 4.159 -13.274 117 HD2 TYR 16 HD2 TYR 16 13.317 5.690 -12.385 118 HE1 TYR 16 HE1 TYR 16 9.495 5.294 -15.454 119 HE2 TYR 16 HE2 TYR 16 13.373 6.831 -14.562 120 HH TYR 16 HH TYR 16 12.321 6.620 -16.775 121 H PHE 17 H PHE 17 9.324 2.650 -10.349 122 HA PHE 17 HA PHE 17 7.993 1.250 -12.544 123 1HB PHE 17 1HB PHE 17 8.293 0.246 -9.749 124 2HB PHE 17 2HB PHE 17 6.763 -0.037 -10.573 125 HD1 PHE 17 HD1 PHE 17 10.256 -0.951 -10.339 126 HD2 PHE 17 HD2 PHE 17 6.701 -1.384 -12.639 127 HE1 PHE 17 HE1 PHE 17 11.235 -2.899 -11.480 128 HE2 PHE 17 HE2 PHE 17 7.674 -3.333 -13.782 129 HZ PHE 17 HZ PHE 17 9.944 -4.093 -13.203 130 H GLN 18 H GLN 18 6.948 1.985 -9.230 131 HA GLN 18 HA GLN 18 5.600 4.374 -9.801 132 1HB GLN 18 1HB GLN 18 4.279 2.589 -11.158 133 2HB GLN 18 2HB GLN 18 3.645 2.101 -9.595 134 1HG GLN 18 1HG GLN 18 2.230 3.702 -10.920 135 2HG GLN 18 2HG GLN 18 2.586 4.174 -9.260 136 1HE2 GLN 18 1HE2 GLN 18 2.535 6.331 -9.362 137 2HE2 GLN 18 2HE2 GLN 18 3.514 7.299 -10.406 138 H GLY 19 H GLY 19 5.328 1.351 -7.959 139 1HA GLY 19 1HA GLY 19 5.910 2.519 -5.488 140 2HA GLY 19 2HA GLY 19 4.162 2.481 -5.657 141 H SER 20 H SER 20 3.371 0.223 -6.512 142 HA SER 20 HA SER 20 2.982 -1.947 -5.919 143 1HB SER 20 1HB SER 20 5.849 -1.738 -6.542 144 2HB SER 20 2HB SER 20 5.430 -3.134 -5.549 145 HG SER 20 HG SER 20 5.239 -3.672 -7.725 146 H LYS 21 H LYS 21 2.170 -1.009 -3.839 147 HA LYS 21 HA LYS 21 3.519 -2.322 -1.625 148 1HB LYS 21 1HB LYS 21 4.529 -0.133 -1.624 149 2HB LYS 21 2HB LYS 21 2.956 0.644 -1.647 150 1HG LYS 21 1HG LYS 21 2.740 0.490 0.566 151 2HG LYS 21 2HG LYS 21 3.292 -1.187 0.592 152 1HD LYS 21 1HD LYS 21 4.826 0.232 1.845 153 2HD LYS 21 2HD LYS 21 5.616 -0.409 0.401 154 1HE LYS 21 1HE LYS 21 4.254 2.223 0.190 155 2HE LYS 21 2HE LYS 21 5.774 2.155 1.076 156 1HZ LYS 21 1HZ LYS 21 6.124 2.682 -1.249 157 2HZ LYS 21 2HZ LYS 21 5.367 1.256 -1.724 158 3HZ LYS 21 3HZ LYS 21 6.826 1.192 -0.874 159 H ARG 22 H ARG 22 1.122 0.253 -1.296 160 HA ARG 22 HA ARG 22 -0.828 -1.812 -0.514 161 1HB ARG 22 1HB ARG 22 -1.880 0.122 0.801 162 2HB ARG 22 2HB ARG 22 -0.398 -0.585 1.430 163 1HG ARG 22 1HG ARG 22 0.878 1.261 0.417 164 2HG ARG 22 2HG ARG 22 -0.643 1.992 -0.106 165 1HD ARG 22 1HD ARG 22 -0.104 3.077 1.913 166 2HD ARG 22 2HD ARG 22 -1.341 1.893 2.340 167 HE ARG 22 HE ARG 22 0.188 0.885 3.699 168 1HH1 ARG 22 1HH1 ARG 22 1.904 2.752 1.304 169 2HH1 ARG 22 2HH1 ARG 22 3.460 2.443 1.990 170 1HH2 ARG 22 1HH2 ARG 22 2.247 0.469 4.604 171 2HH2 ARG 22 2HH2 ARG 22 3.659 1.138 3.857 172 H LYS 23 H LYS 23 -2.996 -1.552 -1.153 173 HA LYS 23 HA LYS 23 -3.546 0.573 -3.087 174 1HB LYS 23 1HB LYS 23 -3.705 -2.386 -3.568 175 2HB LYS 23 2HB LYS 23 -4.668 -1.252 -4.495 176 1HG LYS 23 1HG LYS 23 -2.700 -0.143 -5.287 177 2HG LYS 23 2HG LYS 23 -1.679 -1.145 -4.264 178 1HD LYS 23 1HD LYS 23 -3.478 -2.311 -6.371 179 2HD LYS 23 2HD LYS 23 -1.834 -1.781 -6.730 180 1HE LYS 23 1HE LYS 23 -0.888 -3.491 -5.591 181 2HE LYS 23 2HE LYS 23 -2.173 -3.542 -4.385 182 1HZ LYS 23 1HZ LYS 23 -3.592 -4.489 -6.245 183 2HZ LYS 23 2HZ LYS 23 -2.402 -5.500 -5.596 184 3HZ LYS 23 3HZ LYS 23 -2.144 -4.742 -7.086 185 H ILE 24 H ILE 24 -5.574 1.400 -2.943 186 HA ILE 24 HA ILE 24 -7.399 0.070 -1.069 187 HB ILE 24 HB ILE 24 -7.553 2.924 -2.019 188 1HG1 ILE 24 1HG1 ILE 24 -6.809 2.637 0.747 189 2HG1 ILE 24 2HG1 ILE 24 -5.662 1.767 -0.267 190 1HG2 ILE 24 1HG2 ILE 24 -8.979 1.350 0.109 191 2HG2 ILE 24 2HG2 ILE 24 -9.672 2.236 -1.248 192 3HG2 ILE 24 3HG2 ILE 24 -8.949 3.114 0.099 193 1HD1 ILE 24 1HD1 ILE 24 -5.695 4.485 0.294 194 2HD1 ILE 24 2HD1 ILE 24 -6.247 4.354 -1.376 195 3HD1 ILE 24 3HD1 ILE 24 -4.700 3.654 -0.901 196 H ILE 25 H ILE 25 -9.628 -0.142 -1.549 197 HA ILE 25 HA ILE 25 -10.256 0.010 -4.421 198 HB ILE 25 HB ILE 25 -10.944 -2.065 -2.354 199 1HG1 ILE 25 1HG1 ILE 25 -10.351 -3.518 -4.405 200 2HG1 ILE 25 2HG1 ILE 25 -9.702 -2.049 -5.084 201 1HG2 ILE 25 1HG2 ILE 25 -12.366 -2.920 -4.475 202 2HG2 ILE 25 2HG2 ILE 25 -12.609 -1.183 -4.624 203 3HG2 ILE 25 3HG2 ILE 25 -13.062 -2.015 -3.134 204 1HD1 ILE 25 1HD1 ILE 25 -8.561 -2.105 -2.598 205 2HD1 ILE 25 2HD1 ILE 25 -7.802 -2.657 -4.090 206 3HD1 ILE 25 3HD1 ILE 25 -8.625 -3.810 -3.044 207 H VAL 26 H VAL 26 -12.291 0.763 -5.016 208 HA VAL 26 HA VAL 26 -13.998 1.798 -2.856 209 HB VAL 26 HB VAL 26 -12.716 3.666 -3.841 210 1HG1 VAL 26 1HG1 VAL 26 -12.751 4.233 -6.081 211 2HG1 VAL 26 2HG1 VAL 26 -14.227 3.320 -6.396 212 3HG1 VAL 26 3HG1 VAL 26 -12.700 2.471 -6.150 213 1HG2 VAL 26 1HG2 VAL 26 -15.684 3.585 -4.330 214 2HG2 VAL 26 2HG2 VAL 26 -14.724 5.054 -4.496 215 3HG2 VAL 26 3HG2 VAL 26 -14.825 4.239 -2.935 216 H ALA 27 H ALA 27 -15.938 0.886 -2.984 217 HA ALA 27 HA ALA 27 -16.927 0.050 -5.628 218 1HB ALA 27 1HB ALA 27 -18.403 -1.264 -3.628 219 2HB ALA 27 2HB ALA 27 -16.703 -1.367 -3.161 220 3HB ALA 27 3HB ALA 27 -17.218 -1.948 -4.736 221 H CYS 28 H CYS 28 -18.643 1.058 -6.405 222 HA CYS 28 HA CYS 28 -20.380 2.541 -6.548 223 1HB CYS 28 1HB CYS 28 -21.098 0.921 -4.104 224 2HB CYS 28 2HB CYS 28 -22.192 2.115 -4.791 225 HG CYS 28 HG CYS 28 -22.962 0.163 -6.081 226 H GLY 29 H GLY 29 -21.902 3.890 -4.645 227 1HA GLY 29 1HA GLY 29 -21.690 5.388 -2.798 228 2HA GLY 29 2HA GLY 29 -19.945 5.339 -3.003 229 H GLY 30 H GLY 30 -21.506 5.610 -5.973 230 1HA GLY 30 1HA GLY 30 -22.343 7.617 -7.022 231 2HA GLY 30 2HA GLY 30 -21.353 8.552 -5.910 232 H ALA 31 H ALA 31 -21.356 6.569 -8.793 233 HA ALA 31 HA ALA 31 -18.629 7.500 -9.356 234 1HB ALA 31 1HB ALA 31 -18.071 5.530 -10.348 235 2HB ALA 31 2HB ALA 31 -19.735 5.159 -10.800 236 3HB ALA 31 3HB ALA 31 -19.208 4.956 -9.128 237 H VAL 32 H VAL 32 -20.776 9.176 -9.911 238 HA VAL 32 HA VAL 32 -20.782 9.133 -12.859 239 HB VAL 32 HB VAL 32 -23.084 10.328 -11.364 240 1HG1 VAL 32 1HG1 VAL 32 -24.216 9.420 -13.505 241 2HG1 VAL 32 2HG1 VAL 32 -22.569 9.281 -14.119 242 3HG1 VAL 32 3HG1 VAL 32 -23.195 10.853 -13.618 243 1HG2 VAL 32 1HG2 VAL 32 -24.273 8.120 -11.698 244 2HG2 VAL 32 2HG2 VAL 32 -23.075 8.167 -10.404 245 3HG2 VAL 32 3HG2 VAL 32 -22.679 7.403 -11.944 246 H ALA 33 H ALA 33 -20.988 11.118 -9.939 247 HA ALA 33 HA ALA 33 -19.780 13.328 -11.453 248 1HB ALA 33 1HB ALA 33 -21.218 14.901 -10.072 249 2HB ALA 33 2HB ALA 33 -22.196 13.491 -9.669 250 3HB ALA 33 3HB ALA 33 -22.038 14.003 -11.349 251 H THR 34 H THR 34 -20.376 11.809 -8.330 252 HA THR 34 HA THR 34 -18.477 13.521 -6.979 253 HB THR 34 HB THR 34 -19.794 11.033 -5.896 254 HG1 THR 34 HG1 THR 34 -21.405 12.415 -6.646 255 1HG2 THR 34 1HG2 THR 34 -19.404 13.355 -4.167 256 2HG2 THR 34 2HG2 THR 34 -17.912 12.589 -4.711 257 3HG2 THR 34 3HG2 THR 34 -19.129 11.642 -3.856 258 H SER 35 H SER 35 -18.438 10.533 -8.661 259 HA SER 35 HA SER 35 -16.437 9.065 -7.472 260 1HB SER 35 1HB SER 35 -17.792 8.681 -9.688 261 2HB SER 35 2HB SER 35 -16.383 9.406 -10.445 262 HG SER 35 HG SER 35 -15.287 7.722 -8.921 263 H THR 36 H THR 36 -16.099 11.749 -9.727 264 HA THR 36 HA THR 36 -13.295 11.679 -9.931 265 HB THR 36 HB THR 36 -13.847 14.286 -10.406 266 HG1 THR 36 HG1 THR 36 -15.900 14.594 -10.867 267 1HG2 THR 36 1HG2 THR 36 -14.029 13.781 -12.698 268 2HG2 THR 36 2HG2 THR 36 -14.672 12.173 -12.369 269 3HG2 THR 36 3HG2 THR 36 -12.986 12.538 -12.008 270 H MET 37 H MET 37 -15.456 13.144 -7.593 271 HA MET 37 HA MET 37 -13.656 14.898 -6.361 272 1HB MET 37 1HB MET 37 -16.063 13.414 -5.325 273 2HB MET 37 2HB MET 37 -15.113 14.459 -4.285 274 1HG MET 37 1HG MET 37 -16.316 15.398 -6.868 275 2HG MET 37 2HG MET 37 -17.165 15.476 -5.325 276 1HE MET 37 1HE MET 37 -14.996 18.589 -7.189 277 2HE MET 37 2HE MET 37 -15.381 16.981 -7.803 278 3HE MET 37 3HE MET 37 -13.772 17.320 -7.164 279 H ALA 38 H ALA 38 -14.501 11.544 -5.471 280 HA ALA 38 HA ALA 38 -12.540 11.337 -3.442 281 1HB ALA 38 1HB ALA 38 -13.675 9.482 -3.007 282 2HB ALA 38 2HB ALA 38 -13.126 8.764 -4.521 283 3HB ALA 38 3HB ALA 38 -14.609 9.716 -4.485 284 H ALA 39 H ALA 39 -12.619 9.858 -6.705 285 HA ALA 39 HA ALA 39 -10.171 8.700 -6.813 286 1HB ALA 39 1HB ALA 39 -10.908 8.336 -8.872 287 2HB ALA 39 2HB ALA 39 -10.453 9.983 -9.305 288 3HB ALA 39 3HB ALA 39 -12.081 9.643 -8.719 289 H GLU 40 H GLU 40 -10.749 12.065 -7.884 290 HA GLU 40 HA GLU 40 -8.024 12.687 -8.184 291 1HB GLU 40 1HB GLU 40 -10.511 14.340 -7.910 292 2HB GLU 40 2HB GLU 40 -8.934 15.114 -7.923 293 1HG GLU 40 1HG GLU 40 -9.943 13.285 -10.088 294 2HG GLU 40 2HG GLU 40 -10.054 15.043 -10.134 295 H GLU 41 H GLU 41 -10.193 12.910 -5.417 296 HA GLU 41 HA GLU 41 -8.502 14.478 -3.779 297 1HB GLU 41 1HB GLU 41 -11.003 13.075 -3.483 298 2HB GLU 41 2HB GLU 41 -9.985 12.787 -2.088 299 1HG GLU 41 1HG GLU 41 -10.520 15.542 -3.146 300 2HG GLU 41 2HG GLU 41 -11.560 14.754 -1.960 301 H ILE 42 H ILE 42 -9.033 10.956 -3.890 302 HA ILE 42 HA ILE 42 -7.058 10.351 -1.962 303 HB ILE 42 HB ILE 42 -7.972 8.497 -4.156 304 1HG1 ILE 42 1HG1 ILE 42 -9.965 9.408 -3.120 305 2HG1 ILE 42 2HG1 ILE 42 -9.733 7.761 -2.558 306 1HG2 ILE 42 1HG2 ILE 42 -6.341 8.233 -1.768 307 2HG2 ILE 42 2HG2 ILE 42 -6.533 7.135 -3.134 308 3HG2 ILE 42 3HG2 ILE 42 -7.683 7.089 -1.797 309 1HD1 ILE 42 1HD1 ILE 42 -9.662 8.421 -0.449 310 2HD1 ILE 42 2HD1 ILE 42 -10.164 10.016 -1.011 311 3HD1 ILE 42 3HD1 ILE 42 -8.452 9.653 -0.802 312 H LYS 43 H LYS 43 -6.973 10.670 -5.468 313 HA LYS 43 HA LYS 43 -4.374 9.606 -5.831 314 1HB LYS 43 1HB LYS 43 -6.360 10.352 -7.524 315 2HB LYS 43 2HB LYS 43 -5.253 11.703 -7.716 316 1HG LYS 43 1HG LYS 43 -3.522 9.661 -7.926 317 2HG LYS 43 2HG LYS 43 -4.983 8.890 -8.548 318 1HD LYS 43 1HD LYS 43 -3.988 9.816 -10.447 319 2HD LYS 43 2HD LYS 43 -5.228 10.991 -10.005 320 1HE LYS 43 1HE LYS 43 -2.866 11.675 -8.600 321 2HE LYS 43 2HE LYS 43 -2.413 11.369 -10.275 322 1HZ LYS 43 1HZ LYS 43 -3.390 13.240 -10.935 323 2HZ LYS 43 2HZ LYS 43 -3.472 13.678 -9.303 324 3HZ LYS 43 3HZ LYS 43 -4.799 12.940 -10.046 325 H GLU 44 H GLU 44 -5.498 13.001 -5.789 326 HA GLU 44 HA GLU 44 -3.012 14.210 -5.957 327 1HB GLU 44 1HB GLU 44 -4.036 16.204 -5.088 328 2HB GLU 44 2HB GLU 44 -5.208 15.383 -6.110 329 1HG GLU 44 1HG GLU 44 -6.628 15.650 -4.423 330 2HG GLU 44 2HG GLU 44 -5.746 14.348 -3.637 331 H LEU 45 H LEU 45 -4.637 12.818 -3.175 332 HA LEU 45 HA LEU 45 -2.960 13.886 -1.178 333 1HB LEU 45 1HB LEU 45 -5.149 12.880 -0.712 334 2HB LEU 45 2HB LEU 45 -4.529 11.309 -1.181 335 HG LEU 45 HG LEU 45 -3.050 12.696 0.972 336 1HD1 LEU 45 1HD1 LEU 45 -4.729 11.824 2.643 337 2HD1 LEU 45 2HD1 LEU 45 -5.863 11.690 1.298 338 3HD1 LEU 45 3HD1 LEU 45 -5.204 13.264 1.744 339 1HD2 LEU 45 1HD2 LEU 45 -3.331 10.072 -0.095 340 2HD2 LEU 45 2HD2 LEU 45 -3.825 10.043 1.596 341 3HD2 LEU 45 3HD2 LEU 45 -2.227 10.645 1.155 342 H CYS 46 H CYS 46 -2.981 10.595 -2.575 343 HA CYS 46 HA CYS 46 -0.714 9.625 -1.362 344 1HB CYS 46 1HB CYS 46 -0.657 7.930 -3.004 345 2HB CYS 46 2HB CYS 46 -2.350 8.390 -2.885 346 HG CYS 46 HG CYS 46 -1.008 9.848 -5.161 347 H GLN 47 H GLN 47 -0.943 11.699 -4.206 348 HA GLN 47 HA GLN 47 1.874 11.585 -4.758 349 1HB GLN 47 1HB GLN 47 -0.018 12.048 -6.429 350 2HB GLN 47 2HB GLN 47 -0.041 13.678 -5.770 351 1HG GLN 47 1HG GLN 47 1.661 14.269 -7.047 352 2HG GLN 47 2HG GLN 47 2.648 12.954 -6.409 353 1HE2 GLN 47 1HE2 GLN 47 1.389 10.745 -7.312 354 2HE2 GLN 47 2HE2 GLN 47 1.405 10.702 -9.039 355 H SER 48 H SER 48 -0.307 13.732 -3.043 356 HA SER 48 HA SER 48 1.269 15.981 -2.736 357 1HB SER 48 1HB SER 48 -1.154 15.212 -1.769 358 2HB SER 48 2HB SER 48 -0.181 15.158 -0.299 359 HG SER 48 HG SER 48 -1.246 17.265 -1.315 360 H HIS 49 H HIS 49 1.264 13.029 -0.763 361 HA HIS 49 HA HIS 49 3.676 13.995 0.610 362 1HB HIS 49 1HB HIS 49 1.886 11.669 1.342 363 2HB HIS 49 2HB HIS 49 3.225 12.293 2.297 364 HD1 HIS 49 HD1 HIS 49 1.552 15.141 0.947 365 HD2 HIS 49 HD2 HIS 49 0.812 12.508 4.110 366 HE1 HIS 49 HE1 HIS 49 -0.077 16.328 2.487 367 HE2 HIS 49 HE2 HIS 49 -0.441 14.751 4.420 368 H ASN 50 H ASN 50 3.087 12.379 -2.094 369 HA ASN 50 HA ASN 50 4.195 10.865 -3.368 370 1HB ASN 50 1HB ASN 50 6.248 11.995 -1.569 371 2HB ASN 50 2HB ASN 50 6.678 10.471 -2.339 372 1HD2 ASN 50 1HD2 ASN 50 4.991 13.447 -3.295 373 2HD2 ASN 50 2HD2 ASN 50 5.882 13.680 -4.757 374 H ILE 51 H ILE 51 2.483 9.732 -1.558 375 HA ILE 51 HA ILE 51 3.886 7.506 -0.293 376 HB ILE 51 HB ILE 51 0.922 8.077 -0.287 377 1HG1 ILE 51 1HG1 ILE 51 2.918 8.766 1.873 378 2HG1 ILE 51 2HG1 ILE 51 2.348 9.924 0.676 379 1HG2 ILE 51 1HG2 ILE 51 1.949 6.702 2.019 380 2HG2 ILE 51 2HG2 ILE 51 2.385 5.840 0.544 381 3HG2 ILE 51 3HG2 ILE 51 0.694 6.206 0.885 382 1HD1 ILE 51 1HD1 ILE 51 1.028 10.319 2.549 383 2HD1 ILE 51 2HD1 ILE 51 0.818 8.600 2.880 384 3HD1 ILE 51 3HD1 ILE 51 0.002 9.339 1.502 385 HA PRO 52 HA PRO 52 3.230 5.275 -4.196 386 1HB PRO 52 1HB PRO 52 4.390 3.125 -2.489 387 2HB PRO 52 2HB PRO 52 4.835 3.629 -4.124 388 1HG PRO 52 1HG PRO 52 6.370 4.301 -2.068 389 2HG PRO 52 2HG PRO 52 6.054 5.462 -3.369 390 1HD PRO 52 1HD PRO 52 4.859 5.312 -0.630 391 2HD PRO 52 2HD PRO 52 5.370 6.732 -1.560 392 H VAL 53 H VAL 53 1.009 5.137 -4.199 393 HA VAL 53 HA VAL 53 -0.104 2.658 -3.131 394 HB VAL 53 HB VAL 53 -1.566 5.262 -2.719 395 1HG1 VAL 53 1HG1 VAL 53 -2.356 3.274 -0.889 396 2HG1 VAL 53 2HG1 VAL 53 -2.277 2.507 -2.473 397 3HG1 VAL 53 3HG1 VAL 53 -3.275 3.940 -2.238 398 1HG2 VAL 53 1HG2 VAL 53 0.431 3.917 -0.973 399 2HG2 VAL 53 2HG2 VAL 53 -0.974 4.670 -0.222 400 3HG2 VAL 53 3HG2 VAL 53 0.115 5.634 -1.218 401 H GLU 54 H GLU 54 -1.937 1.924 -4.271 402 HA GLU 54 HA GLU 54 -2.615 3.465 -6.685 403 1HB GLU 54 1HB GLU 54 -2.889 0.555 -6.961 404 2HB GLU 54 2HB GLU 54 -2.215 1.731 -8.072 405 1HG GLU 54 1HG GLU 54 -0.237 1.725 -6.315 406 2HG GLU 54 2HG GLU 54 -0.873 0.119 -5.973 407 H LEU 55 H LEU 55 -4.688 3.959 -6.835 408 HA LEU 55 HA LEU 55 -6.601 2.646 -5.068 409 1HB LEU 55 1HB LEU 55 -6.268 5.192 -5.336 410 2HB LEU 55 2HB LEU 55 -7.163 5.010 -6.830 411 HG LEU 55 HG LEU 55 -8.825 3.755 -5.071 412 1HD1 LEU 55 1HD1 LEU 55 -8.457 4.340 -2.967 413 2HD1 LEU 55 2HD1 LEU 55 -8.567 6.042 -3.408 414 3HD1 LEU 55 3HD1 LEU 55 -7.009 5.218 -3.460 415 1HD2 LEU 55 1HD2 LEU 55 -8.756 6.683 -5.791 416 2HD2 LEU 55 2HD2 LEU 55 -10.161 5.816 -5.169 417 3HD2 LEU 55 3HD2 LEU 55 -9.484 5.387 -6.741 418 H ILE 56 H ILE 56 -7.850 1.098 -5.779 419 HA ILE 56 HA ILE 56 -8.363 0.828 -8.661 420 HB ILE 56 HB ILE 56 -9.330 -1.493 -7.651 421 1HG1 ILE 56 1HG1 ILE 56 -8.468 -0.785 -5.380 422 2HG1 ILE 56 2HG1 ILE 56 -7.937 -2.362 -5.950 423 1HG2 ILE 56 1HG2 ILE 56 -7.329 -2.533 -8.510 424 2HG2 ILE 56 2HG2 ILE 56 -6.458 -1.003 -8.415 425 3HG2 ILE 56 3HG2 ILE 56 -7.796 -1.187 -9.547 426 1HD1 ILE 56 1HD1 ILE 56 -5.812 -1.774 -5.854 427 2HD1 ILE 56 2HD1 ILE 56 -6.349 -0.352 -4.955 428 3HD1 ILE 56 3HD1 ILE 56 -6.104 -0.255 -6.699 429 H GLN 57 H GLN 57 -10.489 0.337 -9.438 430 HA GLN 57 HA GLN 57 -12.639 1.045 -7.563 431 1HB GLN 57 1HB GLN 57 -12.247 2.954 -8.993 432 2HB GLN 57 2HB GLN 57 -12.260 1.936 -10.425 433 1HG GLN 57 1HG GLN 57 -14.427 2.281 -10.645 434 2HG GLN 57 2HG GLN 57 -14.708 1.523 -9.079 435 1HE2 GLN 57 1HE2 GLN 57 -13.062 4.540 -9.882 436 2HE2 GLN 57 2HE2 GLN 57 -14.111 5.565 -8.971 437 H CYS 58 H CYS 58 -14.212 -0.450 -7.461 438 HA CYS 58 HA CYS 58 -15.066 -1.961 -9.746 439 1HB CYS 58 1HB CYS 58 -13.328 -3.199 -7.666 440 2HB CYS 58 2HB CYS 58 -14.615 -4.166 -8.368 441 HG CYS 58 HG CYS 58 -13.435 -3.792 -10.715 442 H ARG 59 H ARG 59 -16.844 -3.575 -9.071 443 HA ARG 59 HA ARG 59 -18.722 -2.225 -7.478 444 1HB ARG 59 1HB ARG 59 -18.693 -4.400 -9.267 445 2HB ARG 59 2HB ARG 59 -19.353 -5.023 -7.764 446 1HG ARG 59 1HG ARG 59 -20.668 -2.630 -8.056 447 2HG ARG 59 2HG ARG 59 -20.530 -3.214 -9.716 448 1HD ARG 59 1HD ARG 59 -21.289 -5.479 -8.468 449 2HD ARG 59 2HD ARG 59 -22.073 -4.282 -7.442 450 HE ARG 59 HE ARG 59 -23.380 -3.591 -9.273 451 1HH1 ARG 59 1HH1 ARG 59 -21.292 -6.278 -10.080 452 2HH1 ARG 59 2HH1 ARG 59 -22.171 -6.687 -11.512 453 1HH2 ARG 59 1HH2 ARG 59 -24.526 -4.134 -11.169 454 2HH2 ARG 59 2HH2 ARG 59 -23.999 -5.474 -12.131 455 H VAL 60 H VAL 60 -19.938 -4.328 -6.044 456 HA VAL 60 HA VAL 60 -18.195 -4.388 -3.696 457 HB VAL 60 HB VAL 60 -21.085 -5.248 -3.810 458 1HG1 VAL 60 1HG1 VAL 60 -19.121 -5.408 -1.810 459 2HG1 VAL 60 2HG1 VAL 60 -20.852 -5.698 -1.645 460 3HG1 VAL 60 3HG1 VAL 60 -20.194 -4.092 -1.335 461 1HG2 VAL 60 1HG2 VAL 60 -21.813 -3.131 -3.747 462 2HG2 VAL 60 2HG2 VAL 60 -20.219 -2.697 -4.364 463 3HG2 VAL 60 3HG2 VAL 60 -20.541 -2.632 -2.632 464 H ASN 61 H ASN 61 -18.886 -6.371 -6.263 465 HA ASN 61 HA ASN 61 -18.178 -8.766 -4.709 466 1HB ASN 61 1HB ASN 61 -19.553 -10.040 -6.456 467 2HB ASN 61 2HB ASN 61 -20.443 -9.142 -5.229 468 1HD2 ASN 61 1HD2 ASN 61 -19.437 -9.199 -8.568 469 2HD2 ASN 61 2HD2 ASN 61 -20.604 -8.063 -9.144 470 H GLU 62 H GLU 62 -16.081 -7.678 -5.525 471 HA GLU 62 HA GLU 62 -15.075 -9.309 -7.648 472 1HB GLU 62 1HB GLU 62 -16.198 -7.239 -8.729 473 2HB GLU 62 2HB GLU 62 -14.803 -6.357 -8.124 474 1HG GLU 62 1HG GLU 62 -13.416 -8.154 -9.331 475 2HG GLU 62 2HG GLU 62 -14.911 -8.523 -10.183 476 H ILE 63 H ILE 63 -14.603 -6.679 -5.380 477 HA ILE 63 HA ILE 63 -11.864 -6.390 -5.381 478 HB ILE 63 HB ILE 63 -13.340 -6.471 -2.778 479 1HG1 ILE 63 1HG1 ILE 63 -13.696 -3.898 -3.538 480 2HG1 ILE 63 2HG1 ILE 63 -13.882 -4.705 -5.088 481 1HG2 ILE 63 1HG2 ILE 63 -11.024 -5.986 -2.608 482 2HG2 ILE 63 2HG2 ILE 63 -11.895 -4.475 -2.361 483 3HG2 ILE 63 3HG2 ILE 63 -11.117 -4.800 -3.906 484 1HD1 ILE 63 1HD1 ILE 63 -15.998 -4.908 -4.473 485 2HD1 ILE 63 2HD1 ILE 63 -15.638 -4.643 -2.769 486 3HD1 ILE 63 3HD1 ILE 63 -15.423 -6.242 -3.482 487 H GLU 64 H GLU 64 -13.817 -8.910 -3.932 488 HA GLU 64 HA GLU 64 -11.703 -10.059 -2.432 489 1HB GLU 64 1HB GLU 64 -14.491 -10.471 -2.713 490 2HB GLU 64 2HB GLU 64 -13.704 -12.008 -3.051 491 1HG GLU 64 1HG GLU 64 -12.359 -11.265 -0.844 492 2HG GLU 64 2HG GLU 64 -13.916 -10.500 -0.533 493 H THR 65 H THR 65 -12.861 -10.460 -5.716 494 HA THR 65 HA THR 65 -11.375 -12.892 -6.147 495 HB THR 65 HB THR 65 -12.323 -11.186 -8.407 496 HG1 THR 65 HG1 THR 65 -14.447 -12.011 -8.028 497 1HG2 THR 65 1HG2 THR 65 -11.391 -13.716 -8.348 498 2HG2 THR 65 2HG2 THR 65 -12.501 -13.091 -9.567 499 3HG2 THR 65 3HG2 THR 65 -13.125 -13.999 -8.190 500 H TYR 66 H TYR 66 -10.981 -9.470 -7.051 501 HA TYR 66 HA TYR 66 -8.355 -10.075 -8.161 502 1HB TYR 66 1HB TYR 66 -8.307 -7.849 -9.040 503 2HB TYR 66 2HB TYR 66 -9.873 -8.560 -9.408 504 HD1 TYR 66 HD1 TYR 66 -8.157 -6.244 -7.054 505 HD2 TYR 66 HD2 TYR 66 -11.833 -7.463 -8.800 506 HE1 TYR 66 HE1 TYR 66 -9.265 -4.282 -6.073 507 HE2 TYR 66 HE2 TYR 66 -12.953 -5.505 -7.830 508 HH TYR 66 HH TYR 66 -12.714 -3.894 -6.157 509 H MET 67 H MET 67 -9.195 -9.921 -5.165 510 HA MET 67 HA MET 67 -7.527 -7.809 -4.127 511 1HB MET 67 1HB MET 67 -7.917 -8.845 -1.916 512 2HB MET 67 2HB MET 67 -9.407 -8.528 -2.778 513 1HG MET 67 1HG MET 67 -9.993 -10.622 -2.459 514 2HG MET 67 2HG MET 67 -8.650 -11.120 -3.477 515 1HE MET 67 1HE MET 67 -10.238 -10.658 -0.277 516 2HE MET 67 2HE MET 67 -9.143 -11.207 0.992 517 3HE MET 67 3HE MET 67 -9.970 -12.384 -0.028 518 H ASP 68 H ASP 68 -5.922 -9.074 -5.847 519 HA ASP 68 HA ASP 68 -4.459 -11.264 -4.936 520 1HB ASP 68 1HB ASP 68 -4.372 -9.605 -7.148 521 2HB ASP 68 2HB ASP 68 -2.838 -9.275 -6.348 522 H GLY 69 H GLY 69 -4.273 -7.861 -4.160 523 1HA GLY 69 1HA GLY 69 -2.826 -8.397 -1.758 524 2HA GLY 69 2HA GLY 69 -1.807 -7.635 -2.969 525 H VAL 70 H VAL 70 -5.056 -7.218 -1.508 526 HA VAL 70 HA VAL 70 -4.864 -4.348 -1.894 527 HB VAL 70 HB VAL 70 -7.021 -5.452 -2.292 528 1HG1 VAL 70 1HG1 VAL 70 -7.758 -7.048 -0.939 529 2HG1 VAL 70 2HG1 VAL 70 -7.970 -5.854 0.341 530 3HG1 VAL 70 3HG1 VAL 70 -6.447 -6.729 0.195 531 1HG2 VAL 70 1HG2 VAL 70 -6.987 -3.106 -1.634 532 2HG2 VAL 70 2HG2 VAL 70 -7.048 -3.568 0.065 533 3HG2 VAL 70 3HG2 VAL 70 -8.417 -3.915 -0.994 534 H HIS 71 H HIS 71 -4.319 -2.907 -0.378 535 HA HIS 71 HA HIS 71 -3.598 -3.921 2.261 536 1HB HIS 71 1HB HIS 71 -2.522 -1.960 0.513 537 2HB HIS 71 2HB HIS 71 -3.023 -1.140 1.983 538 HD1 HIS 71 HD1 HIS 71 -1.711 -1.606 4.122 539 HD2 HIS 71 HD2 HIS 71 -0.432 -3.813 0.813 540 HE1 HIS 71 HE1 HIS 71 0.517 -2.626 4.774 541 HE2 HIS 71 HE2 HIS 71 1.314 -3.850 2.720 542 H LEU 72 H LEU 72 -5.984 -1.950 0.693 543 HA LEU 72 HA LEU 72 -7.480 -1.729 3.150 544 1HB LEU 72 1HB LEU 72 -6.468 0.725 1.716 545 2HB LEU 72 2HB LEU 72 -7.788 0.753 2.866 546 HG LEU 72 HG LEU 72 -5.695 -0.500 4.230 547 1HD1 LEU 72 1HD1 LEU 72 -4.459 2.017 3.380 548 2HD1 LEU 72 2HD1 LEU 72 -4.468 0.749 2.152 549 3HD1 LEU 72 3HD1 LEU 72 -3.729 0.449 3.725 550 1HD2 LEU 72 1HD2 LEU 72 -5.888 1.286 5.711 551 2HD2 LEU 72 2HD2 LEU 72 -7.473 1.201 4.941 552 3HD2 LEU 72 3HD2 LEU 72 -6.308 2.425 4.432 553 H ILE 73 H ILE 73 -9.693 -1.383 2.790 554 HA ILE 73 HA ILE 73 -10.499 -0.988 -0.004 555 HB ILE 73 HB ILE 73 -10.893 -3.208 -0.031 556 1HG1 ILE 73 1HG1 ILE 73 -13.410 -2.499 1.458 557 2HG1 ILE 73 2HG1 ILE 73 -13.093 -1.936 -0.178 558 1HG2 ILE 73 1HG2 ILE 73 -11.924 -4.230 2.264 559 2HG2 ILE 73 2HG2 ILE 73 -10.825 -2.990 2.869 560 3HG2 ILE 73 3HG2 ILE 73 -10.223 -4.259 1.807 561 1HD1 ILE 73 1HD1 ILE 73 -14.499 -4.052 0.155 562 2HD1 ILE 73 2HD1 ILE 73 -12.958 -4.839 0.488 563 3HD1 ILE 73 3HD1 ILE 73 -13.229 -4.064 -1.068 564 H CYS 74 H CYS 74 -12.408 0.085 -0.351 565 HA CYS 74 HA CYS 74 -13.762 1.112 2.047 566 1HB CYS 74 1HB CYS 74 -13.247 2.731 -0.446 567 2HB CYS 74 2HB CYS 74 -13.912 3.300 1.081 568 HG CYS 74 HG CYS 74 -11.347 3.920 0.831 569 H THR 75 H THR 75 -15.685 0.092 2.005 570 HA THR 75 HA THR 75 -17.228 0.242 -0.499 571 HB THR 75 HB THR 75 -17.875 -1.934 1.403 572 HG1 THR 75 HG1 THR 75 -15.688 -2.201 1.434 573 1HG2 THR 75 1HG2 THR 75 -18.070 -3.250 -0.665 574 2HG2 THR 75 2HG2 THR 75 -17.591 -1.827 -1.587 575 3HG2 THR 75 3HG2 THR 75 -19.092 -1.813 -0.665 576 H THR 76 H THR 76 -19.426 0.690 -0.315 577 HA THR 76 HA THR 76 -20.385 1.393 2.375 578 HB THR 76 HB THR 76 -21.374 3.057 0.143 579 HG1 THR 76 HG1 THR 76 -19.492 4.370 0.234 580 1HG2 THR 76 1HG2 THR 76 -21.415 4.786 1.701 581 2HG2 THR 76 2HG2 THR 76 -20.244 3.992 2.752 582 3HG2 THR 76 3HG2 THR 76 -21.884 3.358 2.623 583 H ALA 77 H ALA 77 -21.014 -1.014 1.436 584 HA ALA 77 HA ALA 77 -23.688 -0.765 0.239 585 1HB ALA 77 1HB ALA 77 -21.795 -3.103 0.372 586 2HB ALA 77 2HB ALA 77 -22.303 -2.200 -1.055 587 3HB ALA 77 3HB ALA 77 -23.458 -3.222 -0.200 588 H ARG 78 H ARG 78 -23.013 -3.720 1.851 589 HA ARG 78 HA ARG 78 -24.096 -2.945 4.409 590 1HB ARG 78 1HB ARG 78 -25.732 -4.362 2.354 591 2HB ARG 78 2HB ARG 78 -25.920 -4.826 4.037 592 1HG ARG 78 1HG ARG 78 -26.126 -1.963 3.190 593 2HG ARG 78 2HG ARG 78 -27.498 -3.055 3.064 594 1HD ARG 78 1HD ARG 78 -26.042 -2.130 5.517 595 2HD ARG 78 2HD ARG 78 -27.761 -2.019 5.145 596 HE ARG 78 HE ARG 78 -26.456 -4.160 6.448 597 1HH1 ARG 78 1HH1 ARG 78 -28.998 -3.501 4.146 598 2HH1 ARG 78 2HH1 ARG 78 -29.854 -4.966 4.484 599 1HH2 ARG 78 1HH2 ARG 78 -27.583 -6.085 6.894 600 2HH2 ARG 78 2HH2 ARG 78 -29.054 -6.432 6.048 601 H VAL 79 H VAL 79 -21.657 -4.097 3.644 602 HA VAL 79 HA VAL 79 -21.643 -6.922 3.873 603 HB VAL 79 HB VAL 79 -19.306 -5.188 4.643 604 1HG1 VAL 79 1HG1 VAL 79 -18.259 -7.150 3.192 605 2HG1 VAL 79 2HG1 VAL 79 -19.723 -7.977 3.724 606 3HG1 VAL 79 3HG1 VAL 79 -18.595 -7.331 4.912 607 1HG2 VAL 79 1HG2 VAL 79 -19.248 -5.901 1.860 608 2HG2 VAL 79 2HG2 VAL 79 -19.100 -4.312 2.608 609 3HG2 VAL 79 3HG2 VAL 79 -20.692 -4.952 2.208 610 H ASP 80 H ASP 80 -20.403 -8.049 5.703 611 HA ASP 80 HA ASP 80 -21.566 -7.150 8.237 612 1HB ASP 80 1HB ASP 80 -21.697 -9.580 7.093 613 2HB ASP 80 2HB ASP 80 -20.233 -9.795 8.046 614 H ARG 81 H ARG 81 -18.539 -7.542 6.643 615 HA ARG 81 HA ARG 81 -16.384 -7.178 7.263 616 1HB ARG 81 1HB ARG 81 -17.371 -4.995 7.942 617 2HB ARG 81 2HB ARG 81 -17.617 -5.647 9.558 618 1HG ARG 81 1HG ARG 81 -14.956 -6.144 9.109 619 2HG ARG 81 2HG ARG 81 -15.209 -4.594 8.313 620 1HD ARG 81 1HD ARG 81 -16.051 -3.613 10.312 621 2HD ARG 81 2HD ARG 81 -16.097 -5.174 11.123 622 HE ARG 81 HE ARG 81 -13.660 -3.677 10.429 623 1HH1 ARG 81 1HH1 ARG 81 -15.270 -6.170 12.283 624 2HH1 ARG 81 2HH1 ARG 81 -13.905 -6.457 13.305 625 1HH2 ARG 81 1HH2 ARG 81 -11.868 -4.072 11.771 626 2HH2 ARG 81 2HH2 ARG 81 -11.978 -5.272 13.016 627 H SER 82 H SER 82 -17.580 -9.586 8.156 628 HA SER 82 HA SER 82 -16.013 -10.041 10.604 629 1HB SER 82 1HB SER 82 -18.747 -10.160 10.534 630 2HB SER 82 2HB SER 82 -18.310 -11.840 10.224 631 HG SER 82 HG SER 82 -17.325 -10.280 12.383 632 H PHE 83 H PHE 83 -15.712 -10.499 7.552 633 HA PHE 83 HA PHE 83 -15.107 -13.373 7.695 634 1HB PHE 83 1HB PHE 83 -15.251 -13.442 5.284 635 2HB PHE 83 2HB PHE 83 -16.709 -12.693 5.923 636 HD1 PHE 83 HD1 PHE 83 -16.852 -10.151 5.887 637 HD2 PHE 83 HD2 PHE 83 -13.953 -12.359 3.688 638 HE1 PHE 83 HE1 PHE 83 -16.508 -8.217 4.404 639 HE2 PHE 83 HE2 PHE 83 -13.605 -10.431 2.202 640 HZ PHE 83 HZ PHE 83 -14.882 -8.354 2.558 641 H GLY 84 H GLY 84 -13.056 -13.691 8.236 642 1HA GLY 84 1HA GLY 84 -10.761 -13.709 8.000 643 2HA GLY 84 2HA GLY 84 -10.946 -12.707 6.569 644 H ASP 85 H ASP 85 -10.101 -10.742 6.702 645 HA ASP 85 HA ASP 85 -10.379 -9.134 9.068 646 1HB ASP 85 1HB ASP 85 -7.913 -8.785 9.341 647 2HB ASP 85 2HB ASP 85 -8.464 -10.394 9.796 648 H ILE 86 H ILE 86 -11.008 -9.092 6.193 649 HA ILE 86 HA ILE 86 -9.401 -7.439 4.672 650 HB ILE 86 HB ILE 86 -11.373 -8.548 3.772 651 1HG1 ILE 86 1HG1 ILE 86 -12.148 -5.733 3.329 652 2HG1 ILE 86 2HG1 ILE 86 -10.449 -6.097 3.042 653 1HG2 ILE 86 1HG2 ILE 86 -12.650 -7.491 6.001 654 2HG2 ILE 86 2HG2 ILE 86 -13.388 -8.403 4.689 655 3HG2 ILE 86 3HG2 ILE 86 -13.364 -6.643 4.631 656 1HD1 ILE 86 1HD1 ILE 86 -12.352 -7.983 1.844 657 2HD1 ILE 86 2HD1 ILE 86 -10.889 -7.259 1.176 658 3HD1 ILE 86 3HD1 ILE 86 -12.393 -6.345 1.199 659 HA PRO 87 HA PRO 87 -9.693 -3.807 7.395 660 1HB PRO 87 1HB PRO 87 -7.757 -2.387 6.103 661 2HB PRO 87 2HB PRO 87 -7.408 -3.623 7.318 662 1HG PRO 87 1HG PRO 87 -7.355 -3.835 4.332 663 2HG PRO 87 2HG PRO 87 -6.202 -4.471 5.520 664 1HD PRO 87 1HD PRO 87 -8.070 -6.035 4.363 665 2HD PRO 87 2HD PRO 87 -7.536 -6.281 6.035 666 H LEU 88 H LEU 88 -11.864 -3.744 6.068 667 HA LEU 88 HA LEU 88 -11.730 -1.692 3.990 668 1HB LEU 88 1HB LEU 88 -14.288 -2.239 3.897 669 2HB LEU 88 2HB LEU 88 -13.121 -3.291 3.139 670 HG LEU 88 HG LEU 88 -13.236 -4.823 5.025 671 1HD1 LEU 88 1HD1 LEU 88 -15.446 -4.147 6.469 672 2HD1 LEU 88 2HD1 LEU 88 -14.666 -2.586 6.240 673 3HD1 LEU 88 3HD1 LEU 88 -13.778 -3.916 6.991 674 1HD2 LEU 88 1HD2 LEU 88 -14.803 -5.742 3.735 675 2HD2 LEU 88 2HD2 LEU 88 -15.434 -4.166 3.262 676 3HD2 LEU 88 3HD2 LEU 88 -15.997 -4.931 4.748 677 H VAL 89 H VAL 89 -13.350 0.015 3.961 678 HA VAL 89 HA VAL 89 -14.450 0.768 6.553 679 HB VAL 89 HB VAL 89 -12.612 2.652 5.072 680 1HG1 VAL 89 1HG1 VAL 89 -14.325 2.877 7.506 681 2HG1 VAL 89 2HG1 VAL 89 -14.073 4.031 6.196 682 3HG1 VAL 89 3HG1 VAL 89 -12.822 3.795 7.416 683 1HG2 VAL 89 1HG2 VAL 89 -11.206 2.347 7.190 684 2HG2 VAL 89 2HG2 VAL 89 -11.170 1.054 5.993 685 3HG2 VAL 89 3HG2 VAL 89 -12.148 0.880 7.451 686 H HIS 90 H HIS 90 -15.953 2.578 6.411 687 HA HIS 90 HA HIS 90 -17.436 2.475 3.939 688 1HB HIS 90 1HB HIS 90 -18.026 3.013 6.680 689 2HB HIS 90 2HB HIS 90 -18.548 4.395 5.725 690 HD1 HIS 90 HD1 HIS 90 -20.998 4.139 5.485 691 HD2 HIS 90 HD2 HIS 90 -18.949 0.553 4.828 692 HE1 HIS 90 HE1 HIS 90 -22.746 2.450 4.758 693 HE2 HIS 90 HE2 HIS 90 -21.467 0.334 4.273 694 H GLY 91 H GLY 91 -17.933 4.217 2.599 695 1HA GLY 91 1HA GLY 91 -15.986 6.419 2.735 696 2HA GLY 91 2HA GLY 91 -16.809 5.876 1.280 697 H MET 92 H MET 92 -18.904 6.021 3.923 698 HA MET 92 HA MET 92 -20.584 7.932 2.828 699 1HB MET 92 1HB MET 92 -21.293 6.333 4.540 700 2HB MET 92 2HB MET 92 -20.298 7.155 5.735 701 1HG MET 92 1HG MET 92 -22.161 8.934 4.384 702 2HG MET 92 2HG MET 92 -22.957 7.617 5.243 703 1HE MET 92 1HE MET 92 -22.136 11.421 7.069 704 2HE MET 92 2HE MET 92 -23.008 10.844 5.650 705 3HE MET 92 3HE MET 92 -21.263 11.087 5.574 706 HA PRO 93 HA PRO 93 -18.553 11.216 5.714 707 1HB PRO 93 1HB PRO 93 -16.063 10.760 6.639 708 2HB PRO 93 2HB PRO 93 -17.504 10.202 7.499 709 1HG PRO 93 1HG PRO 93 -15.661 8.679 5.700 710 2HG PRO 93 2HG PRO 93 -16.372 8.188 7.248 711 1HD PRO 93 1HD PRO 93 -17.347 7.400 4.841 712 2HD PRO 93 2HD PRO 93 -18.362 7.582 6.283 713 H PHE 94 H PHE 94 -16.896 9.459 3.258 714 HA PHE 94 HA PHE 94 -15.105 11.647 2.595 715 1HB PHE 94 1HB PHE 94 -15.257 8.841 1.978 716 2HB PHE 94 2HB PHE 94 -15.144 9.767 0.483 717 HD1 PHE 94 HD1 PHE 94 -13.225 7.995 2.602 718 HD2 PHE 94 HD2 PHE 94 -13.401 11.914 0.952 719 HE1 PHE 94 HE1 PHE 94 -10.800 8.242 2.937 720 HE2 PHE 94 HE2 PHE 94 -10.977 12.168 1.284 721 HZ PHE 94 HZ PHE 94 -9.672 10.330 2.278 722 H VAL 95 H VAL 95 -18.068 10.194 1.364 723 HA VAL 95 HA VAL 95 -18.195 11.750 -1.017 724 HB VAL 95 HB VAL 95 -20.465 10.393 0.450 725 1HG1 VAL 95 1HG1 VAL 95 -21.756 10.600 -1.455 726 2HG1 VAL 95 2HG1 VAL 95 -20.360 10.848 -2.503 727 3HG1 VAL 95 3HG1 VAL 95 -20.900 12.139 -1.433 728 1HG2 VAL 95 1HG2 VAL 95 -20.081 8.498 -1.035 729 2HG2 VAL 95 2HG2 VAL 95 -18.652 8.828 -0.057 730 3HG2 VAL 95 3HG2 VAL 95 -18.695 9.324 -1.748 731 H SER 96 H SER 96 -19.012 12.354 2.279 732 HA SER 96 HA SER 96 -21.031 14.215 2.147 733 1HB SER 96 1HB SER 96 -18.812 14.890 3.989 734 2HB SER 96 2HB SER 96 -20.530 14.667 4.321 735 HG SER 96 HG SER 96 -20.121 12.374 4.027 736 H GLY 97 H GLY 97 -17.618 14.653 1.407 737 1HA GLY 97 1HA GLY 97 -16.594 16.334 0.192 738 2HA GLY 97 2HA GLY 97 -18.183 17.006 -0.120 739 H VAL 98 H VAL 98 -17.785 16.573 3.183 740 HA VAL 98 HA VAL 98 -16.662 19.259 3.555 741 HB VAL 98 HB VAL 98 -19.153 19.364 3.559 742 1HG1 VAL 98 1HG1 VAL 98 -18.992 17.058 5.077 743 2HG1 VAL 98 2HG1 VAL 98 -20.437 18.023 4.793 744 3HG1 VAL 98 3HG1 VAL 98 -19.466 18.295 6.241 745 1HG2 VAL 98 1HG2 VAL 98 -17.429 20.206 5.819 746 2HG2 VAL 98 2HG2 VAL 98 -19.172 20.410 5.999 747 3HG2 VAL 98 3HG2 VAL 98 -18.330 21.176 4.652 748 H GLY 99 H GLY 99 -17.312 16.071 4.892 749 1HA GLY 99 1HA GLY 99 -15.901 16.723 7.361 750 2HA GLY 99 2HA GLY 99 -16.716 15.211 6.995 751 H ILE 100 H ILE 100 -14.693 16.267 4.475 752 HA ILE 100 HA ILE 100 -12.954 14.034 4.807 753 HB ILE 100 HB ILE 100 -12.597 16.377 2.941 754 1HG1 ILE 100 1HG1 ILE 100 -13.645 13.933 1.776 755 2HG1 ILE 100 2HG1 ILE 100 -14.718 14.561 3.022 756 1HG2 ILE 100 1HG2 ILE 100 -10.597 15.052 3.143 757 2HG2 ILE 100 2HG2 ILE 100 -11.352 14.727 1.583 758 3HG2 ILE 100 3HG2 ILE 100 -11.515 13.566 2.901 759 1HD1 ILE 100 1HD1 ILE 100 -13.674 16.169 0.711 760 2HD1 ILE 100 2HD1 ILE 100 -14.891 16.659 1.891 761 3HD1 ILE 100 3HD1 ILE 100 -15.236 15.354 0.754 762 H GLU 101 H GLU 101 -12.641 17.513 5.364 763 HA GLU 101 HA GLU 101 -9.945 17.810 5.698 764 1HB GLU 101 1HB GLU 101 -12.095 19.390 6.173 765 2HB GLU 101 2HB GLU 101 -11.562 19.081 7.819 766 1HG GLU 101 1HG GLU 101 -9.256 19.805 7.051 767 2HG GLU 101 2HG GLU 101 -10.044 20.391 5.587 768 H ALA 102 H ALA 102 -12.238 16.687 8.170 769 HA ALA 102 HA ALA 102 -10.149 16.153 10.075 770 1HB ALA 102 1HB ALA 102 -11.822 15.667 11.580 771 2HB ALA 102 2HB ALA 102 -12.895 15.017 10.341 772 3HB ALA 102 3HB ALA 102 -12.663 16.759 10.480 773 H LEU 103 H LEU 103 -12.249 14.226 7.968 774 HA LEU 103 HA LEU 103 -11.437 11.683 8.791 775 1HB LEU 103 1HB LEU 103 -13.377 12.175 7.314 776 2HB LEU 103 2HB LEU 103 -12.257 12.522 6.010 777 HG LEU 103 HG LEU 103 -11.459 10.016 6.726 778 1HD1 LEU 103 1HD1 LEU 103 -13.885 8.901 6.657 779 2HD1 LEU 103 2HD1 LEU 103 -14.273 10.365 7.561 780 3HD1 LEU 103 3HD1 LEU 103 -13.036 9.260 8.161 781 1HD2 LEU 103 1HD2 LEU 103 -12.984 9.304 4.778 782 2HD2 LEU 103 2HD2 LEU 103 -11.736 10.512 4.470 783 3HD2 LEU 103 3HD2 LEU 103 -13.413 11.012 4.684 784 H GLN 104 H GLN 104 -10.277 13.560 5.987 785 HA GLN 104 HA GLN 104 -8.280 11.861 5.132 786 1HB GLN 104 1HB GLN 104 -8.974 13.859 3.894 787 2HB GLN 104 2HB GLN 104 -8.233 14.881 5.119 788 1HG GLN 104 1HG GLN 104 -6.280 13.034 4.225 789 2HG GLN 104 2HG GLN 104 -7.055 13.738 2.808 790 1HE2 GLN 104 1HE2 GLN 104 -5.749 14.730 5.961 791 2HE2 GLN 104 2HE2 GLN 104 -5.006 16.176 5.390 792 H ASN 105 H ASN 105 -7.985 14.512 7.491 793 HA ASN 105 HA ASN 105 -5.267 14.213 8.027 794 1HB ASN 105 1HB ASN 105 -7.542 15.570 9.258 795 2HB ASN 105 2HB ASN 105 -6.342 15.047 10.437 796 1HD2 ASN 105 1HD2 ASN 105 -7.005 17.117 7.744 797 2HD2 ASN 105 2HD2 ASN 105 -5.581 18.085 7.871 798 H LYS 106 H LYS 106 -8.044 12.839 9.786 799 HA LYS 106 HA LYS 106 -6.552 11.395 11.666 800 1HB LYS 106 1HB LYS 106 -9.298 10.786 10.556 801 2HB LYS 106 2HB LYS 106 -8.614 10.085 12.017 802 1HG LYS 106 1HG LYS 106 -8.377 12.842 12.362 803 2HG LYS 106 2HG LYS 106 -9.970 12.598 11.645 804 1HD LYS 106 1HD LYS 106 -10.672 11.212 13.400 805 2HD LYS 106 2HD LYS 106 -9.023 10.956 13.973 806 1HE LYS 106 1HE LYS 106 -8.882 13.169 14.818 807 2HE LYS 106 2HE LYS 106 -10.364 13.650 13.993 808 1HZ LYS 106 1HZ LYS 106 -10.345 13.031 16.531 809 2HZ LYS 106 2HZ LYS 106 -10.523 11.461 15.928 810 3HZ LYS 106 3HZ LYS 106 -11.665 12.648 15.544 811 H ILE 107 H ILE 107 -7.822 10.400 8.493 812 HA ILE 107 HA ILE 107 -6.962 7.712 8.709 813 HB ILE 107 HB ILE 107 -7.358 7.515 6.321 814 1HG1 ILE 107 1HG1 ILE 107 -8.257 10.282 5.931 815 2HG1 ILE 107 2HG1 ILE 107 -6.521 10.121 6.139 816 1HG2 ILE 107 1HG2 ILE 107 -9.554 7.465 6.683 817 2HG2 ILE 107 2HG2 ILE 107 -9.637 9.221 6.830 818 3HG2 ILE 107 3HG2 ILE 107 -9.233 8.236 8.237 819 1HD1 ILE 107 1HD1 ILE 107 -6.351 8.681 4.264 820 2HD1 ILE 107 2HD1 ILE 107 -7.314 10.077 3.782 821 3HD1 ILE 107 3HD1 ILE 107 -8.104 8.542 4.140 822 H LEU 108 H LEU 108 -5.392 10.642 7.591 823 HA LEU 108 HA LEU 108 -3.163 9.288 6.410 824 1HB LEU 108 1HB LEU 108 -3.872 12.116 7.017 825 2HB LEU 108 2HB LEU 108 -2.181 11.732 6.756 826 HG LEU 108 HG LEU 108 -4.372 11.097 4.782 827 1HD1 LEU 108 1HD1 LEU 108 -4.358 13.228 4.178 828 2HD1 LEU 108 2HD1 LEU 108 -2.647 13.084 3.782 829 3HD1 LEU 108 3HD1 LEU 108 -3.140 13.604 5.394 830 1HD2 LEU 108 1HD2 LEU 108 -2.799 9.800 3.890 831 2HD2 LEU 108 2HD2 LEU 108 -1.559 10.423 4.979 832 3HD2 LEU 108 3HD2 LEU 108 -1.932 11.281 3.485 833 H THR 109 H THR 109 -3.789 10.907 9.487 834 HA THR 109 HA THR 109 -1.242 10.811 10.586 835 HB THR 109 HB THR 109 -2.471 10.715 12.812 836 HG1 THR 109 HG1 THR 109 -4.755 10.996 12.619 837 1HG2 THR 109 1HG2 THR 109 -2.205 12.813 11.070 838 2HG2 THR 109 2HG2 THR 109 -2.746 12.918 12.747 839 3HG2 THR 109 3HG2 THR 109 -3.929 12.822 11.444 840 H ILE 110 H ILE 110 -3.757 8.330 10.486 841 HA ILE 110 HA ILE 110 -2.308 6.471 12.109 842 HB ILE 110 HB ILE 110 -4.580 5.926 10.194 843 1HG1 ILE 110 1HG1 ILE 110 -4.827 6.215 13.177 844 2HG1 ILE 110 2HG1 ILE 110 -4.902 7.628 12.129 845 1HG2 ILE 110 1HG2 ILE 110 -4.861 4.044 12.041 846 2HG2 ILE 110 2HG2 ILE 110 -3.119 4.276 12.184 847 3HG2 ILE 110 3HG2 ILE 110 -3.823 3.821 10.632 848 1HD1 ILE 110 1HD1 ILE 110 -7.067 7.235 11.913 849 2HD1 ILE 110 2HD1 ILE 110 -6.924 5.678 12.729 850 3HD1 ILE 110 3HD1 ILE 110 -6.652 5.791 10.990 851 H LEU 111 H LEU 111 -2.658 7.011 8.635 852 HA LEU 111 HA LEU 111 -1.335 4.649 7.810 853 1HB LEU 111 1HB LEU 111 -2.058 7.234 6.514 854 2HB LEU 111 2HB LEU 111 -0.906 6.189 5.705 855 HG LEU 111 HG LEU 111 -3.738 5.471 6.463 856 1HD1 LEU 111 1HD1 LEU 111 -2.776 5.390 3.674 857 2HD1 LEU 111 2HD1 LEU 111 -2.996 6.988 4.386 858 3HD1 LEU 111 3HD1 LEU 111 -4.347 5.857 4.323 859 1HD2 LEU 111 1HD2 LEU 111 -2.480 3.485 6.683 860 2HD2 LEU 111 2HD2 LEU 111 -1.516 3.847 5.251 861 3HD2 LEU 111 3HD2 LEU 111 -3.217 3.414 5.083 862 H GLN 112 H GLN 112 -0.201 7.771 8.854 863 HA GLN 112 HA GLN 112 2.497 7.311 7.902 864 1HB GLN 112 1HB GLN 112 1.459 9.505 9.704 865 2HB GLN 112 2HB GLN 112 3.008 9.479 8.872 866 1HG GLN 112 1HG GLN 112 0.971 9.111 6.937 867 2HG GLN 112 2HG GLN 112 0.516 10.473 7.959 868 1HE2 GLN 112 1HE2 GLN 112 3.742 9.374 7.040 869 2HE2 GLN 112 2HE2 GLN 112 4.192 10.819 6.207 870 H GLY 113 H GLY 113 0.666 6.932 10.839 871 1HA GLY 113 1HA GLY 113 3.079 6.496 12.426 872 2HA GLY 113 2HA GLY 113 1.430 6.532 13.031 Start of MODEL 14 1 1H MET 1 1H MET 1 6.767 2.892 -22.896 2 2H MET 1 2H MET 1 5.647 4.153 -23.215 3 3H MET 1 3H MET 1 6.652 4.225 -21.825 4 HA MET 1 HA MET 1 8.582 4.259 -23.313 5 1HB MET 1 1HB MET 1 7.024 3.327 -25.189 6 2HB MET 1 2HB MET 1 6.622 5.017 -25.453 7 1HG MET 1 1HG MET 1 9.487 4.552 -25.288 8 2HG MET 1 2HG MET 1 8.715 3.641 -26.584 9 1HE MET 1 1HE MET 1 6.238 6.352 -26.989 10 2HE MET 1 2HE MET 1 6.676 4.845 -27.792 11 3HE MET 1 3HE MET 1 6.923 6.385 -28.614 12 H GLY 2 H GLY 2 9.205 6.415 -24.433 13 1HA GLY 2 1HA GLY 2 7.918 8.758 -24.446 14 2HA GLY 2 2HA GLY 2 8.182 8.532 -22.726 15 H SER 3 H SER 3 10.782 7.055 -23.863 16 HA SER 3 HA SER 3 12.334 9.486 -24.389 17 1HB SER 3 1HB SER 3 12.676 7.567 -22.124 18 2HB SER 3 2HB SER 3 14.119 8.278 -22.847 19 HG SER 3 HG SER 3 12.091 9.472 -21.363 20 H SER 4 H SER 4 14.446 9.063 -25.346 21 HA SER 4 HA SER 4 14.418 6.570 -26.907 22 1HB SER 4 1HB SER 4 14.519 9.124 -27.837 23 2HB SER 4 2HB SER 4 16.238 8.740 -27.747 24 HG SER 4 HG SER 4 14.485 6.886 -28.913 25 H HIS 5 H HIS 5 15.331 5.679 -24.810 26 HA HIS 5 HA HIS 5 18.266 5.856 -24.928 27 1HB HIS 5 1HB HIS 5 18.224 5.431 -22.420 28 2HB HIS 5 2HB HIS 5 17.720 7.035 -22.942 29 HD1 HIS 5 HD1 HIS 5 16.043 7.719 -21.248 30 HD2 HIS 5 HD2 HIS 5 15.423 3.826 -22.640 31 HE1 HIS 5 HE1 HIS 5 13.861 6.940 -20.217 32 HE2 HIS 5 HE2 HIS 5 13.561 4.565 -21.003 33 H HIS 6 H HIS 6 16.847 3.981 -26.352 34 HA HIS 6 HA HIS 6 17.721 1.533 -25.034 35 1HB HIS 6 1HB HIS 6 14.952 2.264 -25.347 36 2HB HIS 6 2HB HIS 6 15.300 0.821 -26.294 37 HD1 HIS 6 HD1 HIS 6 14.951 2.075 -22.810 38 HD2 HIS 6 HD2 HIS 6 16.074 -1.443 -24.770 39 HE1 HIS 6 HE1 HIS 6 14.960 0.255 -21.043 40 HE2 HIS 6 HE2 HIS 6 15.550 -1.865 -22.271 41 H HIS 7 H HIS 7 15.670 2.005 -27.889 42 HA HIS 7 HA HIS 7 15.969 1.492 -30.084 43 1HB HIS 7 1HB HIS 7 18.119 3.038 -29.398 44 2HB HIS 7 2HB HIS 7 18.909 1.603 -30.043 45 HD1 HIS 7 HD1 HIS 7 15.941 3.748 -31.149 46 HD2 HIS 7 HD2 HIS 7 19.400 1.958 -32.669 47 HE1 HIS 7 HE1 HIS 7 16.010 4.327 -33.617 48 HE2 HIS 7 HE2 HIS 7 18.059 3.171 -34.519 49 H HIS 8 H HIS 8 16.398 -0.557 -27.837 50 HA HIS 8 HA HIS 8 17.200 -2.715 -29.614 51 1HB HIS 8 1HB HIS 8 19.094 -1.713 -27.927 52 2HB HIS 8 2HB HIS 8 18.375 -2.964 -26.919 53 HD1 HIS 8 HD1 HIS 8 18.801 -5.403 -27.537 54 HD2 HIS 8 HD2 HIS 8 20.449 -2.658 -30.223 55 HE1 HIS 8 HE1 HIS 8 20.353 -6.732 -29.039 56 HE2 HIS 8 HE2 HIS 8 21.254 -5.070 -30.704 57 H HIS 9 H HIS 9 16.848 -4.887 -28.457 58 HA HIS 9 HA HIS 9 14.501 -4.677 -26.687 59 1HB HIS 9 1HB HIS 9 14.913 -6.818 -28.778 60 2HB HIS 9 2HB HIS 9 13.469 -6.529 -27.812 61 HD1 HIS 9 HD1 HIS 9 11.769 -4.907 -28.696 62 HD2 HIS 9 HD2 HIS 9 15.377 -4.815 -30.805 63 HE1 HIS 9 HE1 HIS 9 11.362 -3.443 -30.727 64 HE2 HIS 9 HE2 HIS 9 13.526 -3.475 -32.017 65 H HIS 10 H HIS 10 14.066 -6.810 -25.533 66 HA HIS 10 HA HIS 10 14.718 -8.427 -24.071 67 1HB HIS 10 1HB HIS 10 16.536 -8.707 -26.317 68 2HB HIS 10 2HB HIS 10 17.318 -9.160 -24.806 69 HD1 HIS 10 HD1 HIS 10 13.805 -9.870 -24.489 70 HD2 HIS 10 HD2 HIS 10 17.087 -11.772 -26.245 71 HE1 HIS 10 HE1 HIS 10 13.130 -12.295 -24.803 72 HE2 HIS 10 HE2 HIS 10 15.157 -13.430 -25.781 73 H HIS 11 H HIS 11 16.837 -9.048 -22.667 74 HA HIS 11 HA HIS 11 18.296 -8.412 -21.043 75 1HB HIS 11 1HB HIS 11 18.879 -6.686 -23.211 76 2HB HIS 11 2HB HIS 11 18.874 -5.691 -21.760 77 HD1 HIS 11 HD1 HIS 11 19.883 -8.949 -20.708 78 HD2 HIS 11 HD2 HIS 11 21.762 -5.764 -22.658 79 HE1 HIS 11 HE1 HIS 11 22.375 -9.319 -20.422 80 HE2 HIS 11 HE2 HIS 11 23.476 -7.343 -21.534 81 H HIS 12 H HIS 12 16.681 -5.348 -21.903 82 HA HIS 12 HA HIS 12 15.365 -3.934 -20.705 83 1HB HIS 12 1HB HIS 12 14.723 -6.583 -19.631 84 2HB HIS 12 2HB HIS 12 14.433 -5.278 -18.485 85 HD1 HIS 12 HD1 HIS 12 12.043 -6.817 -19.494 86 HD2 HIS 12 HD2 HIS 12 13.546 -3.411 -21.395 87 HE1 HIS 12 HE1 HIS 12 10.128 -5.866 -20.856 88 HE2 HIS 12 HE2 HIS 12 11.085 -3.866 -22.052 89 H GLU 13 H GLU 13 17.439 -2.887 -20.227 90 HA GLU 13 HA GLU 13 18.852 -3.351 -17.827 91 1HB GLU 13 1HB GLU 13 19.324 -1.855 -20.031 92 2HB GLU 13 2HB GLU 13 18.833 -0.596 -18.908 93 1HG GLU 13 1HG GLU 13 20.605 -2.122 -17.441 94 2HG GLU 13 2HG GLU 13 21.306 -2.098 -19.057 95 H ASN 14 H ASN 14 16.321 -1.009 -18.671 96 HA ASN 14 HA ASN 14 16.094 -0.275 -15.840 97 1HB ASN 14 1HB ASN 14 16.166 1.324 -18.049 98 2HB ASN 14 2HB ASN 14 14.429 1.160 -17.806 99 1HD2 ASN 14 1HD2 ASN 14 17.173 2.836 -16.936 100 2HD2 ASN 14 2HD2 ASN 14 16.566 3.629 -15.527 101 H LEU 15 H LEU 15 13.473 0.613 -15.794 102 HA LEU 15 HA LEU 15 11.366 -0.111 -15.347 103 1HB LEU 15 1HB LEU 15 11.342 -0.328 -17.820 104 2HB LEU 15 2HB LEU 15 11.849 -1.998 -17.653 105 HG LEU 15 HG LEU 15 9.740 -2.409 -16.333 106 1HD1 LEU 15 1HD1 LEU 15 9.557 0.303 -16.224 107 2HD1 LEU 15 2HD1 LEU 15 8.222 -0.814 -15.938 108 3HD1 LEU 15 3HD1 LEU 15 8.431 -0.078 -17.527 109 1HD2 LEU 15 1HD2 LEU 15 8.721 -3.071 -18.222 110 2HD2 LEU 15 2HD2 LEU 15 10.207 -2.522 -18.995 111 3HD2 LEU 15 3HD2 LEU 15 8.794 -1.467 -18.950 112 H TYR 16 H TYR 16 12.980 -1.075 -13.555 113 HA TYR 16 HA TYR 16 11.864 -3.671 -12.937 114 1HB TYR 16 1HB TYR 16 14.294 -3.670 -14.198 115 2HB TYR 16 2HB TYR 16 14.769 -3.679 -12.502 116 HD1 TYR 16 HD1 TYR 16 12.332 -5.402 -14.759 117 HD2 TYR 16 HD2 TYR 16 15.035 -5.736 -11.489 118 HE1 TYR 16 HE1 TYR 16 11.908 -7.822 -14.663 119 HE2 TYR 16 HE2 TYR 16 14.620 -8.157 -11.386 120 HH TYR 16 HH TYR 16 12.799 -9.820 -13.842 121 H PHE 17 H PHE 17 13.024 -0.660 -12.007 122 HA PHE 17 HA PHE 17 13.208 -1.462 -9.186 123 1HB PHE 17 1HB PHE 17 14.203 1.090 -10.473 124 2HB PHE 17 2HB PHE 17 14.468 0.581 -8.809 125 HD1 PHE 17 HD1 PHE 17 14.988 -0.778 -12.256 126 HD2 PHE 17 HD2 PHE 17 16.529 -0.277 -8.319 127 HE1 PHE 17 HE1 PHE 17 17.066 -1.906 -12.930 128 HE2 PHE 17 HE2 PHE 17 18.611 -1.402 -8.989 129 HZ PHE 17 HZ PHE 17 18.882 -2.219 -11.297 130 H GLN 18 H GLN 18 10.739 -1.055 -10.700 131 HA GLN 18 HA GLN 18 9.644 1.214 -9.176 132 1HB GLN 18 1HB GLN 18 9.724 1.027 -11.910 133 2HB GLN 18 2HB GLN 18 8.124 0.393 -11.550 134 1HG GLN 18 1HG GLN 18 8.465 2.714 -9.986 135 2HG GLN 18 2HG GLN 18 9.015 3.096 -11.616 136 1HE2 GLN 18 1HE2 GLN 18 7.399 4.247 -12.458 137 2HE2 GLN 18 2HE2 GLN 18 5.749 3.741 -12.539 138 H GLY 19 H GLY 19 9.641 -0.897 -7.728 139 1HA GLY 19 1HA GLY 19 7.462 -2.701 -8.208 140 2HA GLY 19 2HA GLY 19 8.427 -2.598 -6.744 141 H SER 20 H SER 20 5.902 -3.070 -6.295 142 HA SER 20 HA SER 20 4.704 -0.469 -5.606 143 1HB SER 20 1HB SER 20 2.531 -1.473 -5.733 144 2HB SER 20 2HB SER 20 3.394 -1.931 -7.202 145 HG SER 20 HG SER 20 3.009 -3.515 -4.879 146 H LYS 21 H LYS 21 2.976 -0.999 -3.730 147 HA LYS 21 HA LYS 21 4.158 -2.713 -1.696 148 1HB LYS 21 1HB LYS 21 4.021 0.278 -1.537 149 2HB LYS 21 2HB LYS 21 3.879 -0.682 -0.073 150 1HG LYS 21 1HG LYS 21 6.099 -1.726 -1.375 151 2HG LYS 21 2HG LYS 21 6.223 0.020 -1.599 152 1HD LYS 21 1HD LYS 21 7.340 -0.438 0.429 153 2HD LYS 21 2HD LYS 21 5.771 0.227 0.890 154 1HE LYS 21 1HE LYS 21 4.946 -1.854 1.546 155 2HE LYS 21 2HE LYS 21 6.181 -2.732 0.644 156 1HZ LYS 21 1HZ LYS 21 7.634 -2.572 2.326 157 2HZ LYS 21 2HZ LYS 21 6.270 -2.284 3.282 158 3HZ LYS 21 3HZ LYS 21 7.195 -0.985 2.717 159 H ARG 22 H ARG 22 1.913 0.009 -1.485 160 HA ARG 22 HA ARG 22 -0.139 -1.848 -0.510 161 1HB ARG 22 1HB ARG 22 -1.173 0.125 0.528 162 2HB ARG 22 2HB ARG 22 0.488 -0.092 1.062 163 1HG ARG 22 1HG ARG 22 0.383 1.598 -1.266 164 2HG ARG 22 2HG ARG 22 -0.671 2.215 0.005 165 1HD ARG 22 1HD ARG 22 2.289 1.734 0.073 166 2HD ARG 22 2HD ARG 22 1.402 3.214 0.433 167 HE ARG 22 HE ARG 22 2.093 1.187 2.267 168 1HH1 ARG 22 1HH1 ARG 22 -0.546 3.319 1.456 169 2HH1 ARG 22 2HH1 ARG 22 -1.153 3.384 3.074 170 1HH2 ARG 22 1HH2 ARG 22 1.304 1.284 4.397 171 2HH2 ARG 22 2HH2 ARG 22 -0.097 2.240 4.747 172 H LYS 23 H LYS 23 -2.255 -1.714 -1.279 173 HA LYS 23 HA LYS 23 -2.682 -0.073 -3.672 174 1HB LYS 23 1HB LYS 23 -2.192 -2.761 -3.818 175 2HB LYS 23 2HB LYS 23 -3.946 -2.732 -3.726 176 1HG LYS 23 1HG LYS 23 -3.649 -0.883 -5.596 177 2HG LYS 23 2HG LYS 23 -2.137 -1.753 -5.861 178 1HD LYS 23 1HD LYS 23 -4.299 -3.621 -5.555 179 2HD LYS 23 2HD LYS 23 -4.707 -2.428 -6.789 180 1HE LYS 23 1HE LYS 23 -2.014 -3.722 -6.807 181 2HE LYS 23 2HE LYS 23 -3.410 -4.592 -7.443 182 1HZ LYS 23 1HZ LYS 23 -3.474 -3.310 -9.252 183 2HZ LYS 23 2HZ LYS 23 -1.893 -2.865 -8.850 184 3HZ LYS 23 3HZ LYS 23 -3.190 -1.881 -8.392 185 H ILE 24 H ILE 24 -4.351 1.249 -3.208 186 HA ILE 24 HA ILE 24 -6.437 0.301 -1.380 187 HB ILE 24 HB ILE 24 -6.066 3.089 -2.477 188 1HG1 ILE 24 1HG1 ILE 24 -5.388 2.440 0.342 189 2HG1 ILE 24 2HG1 ILE 24 -4.242 1.934 -0.896 190 1HG2 ILE 24 1HG2 ILE 24 -7.951 3.620 -1.431 191 2HG2 ILE 24 2HG2 ILE 24 -7.370 2.911 0.076 192 3HG2 ILE 24 3HG2 ILE 24 -8.202 1.906 -1.108 193 1HD1 ILE 24 1HD1 ILE 24 -4.353 4.344 -1.726 194 2HD1 ILE 24 2HD1 ILE 24 -3.495 4.032 -0.217 195 3HD1 ILE 24 3HD1 ILE 24 -5.126 4.703 -0.182 196 H ILE 25 H ILE 25 -8.632 0.279 -1.959 197 HA ILE 25 HA ILE 25 -9.242 0.687 -4.800 198 HB ILE 25 HB ILE 25 -9.124 -1.645 -4.706 199 1HG1 ILE 25 1HG1 ILE 25 -11.419 -2.518 -4.674 200 2HG1 ILE 25 2HG1 ILE 25 -11.989 -1.026 -3.953 201 1HG2 ILE 25 1HG2 ILE 25 -9.906 -2.994 -2.841 202 2HG2 ILE 25 2HG2 ILE 25 -10.456 -1.532 -2.024 203 3HG2 ILE 25 3HG2 ILE 25 -8.739 -1.782 -2.312 204 1HD1 ILE 25 1HD1 ILE 25 -11.007 0.079 -6.046 205 2HD1 ILE 25 2HD1 ILE 25 -12.519 -0.803 -6.183 206 3HD1 ILE 25 3HD1 ILE 25 -11.016 -1.540 -6.726 207 H VAL 26 H VAL 26 -11.356 1.458 -5.225 208 HA VAL 26 HA VAL 26 -12.940 2.183 -2.858 209 HB VAL 26 HB VAL 26 -13.636 4.240 -4.112 210 1HG1 VAL 26 1HG1 VAL 26 -11.667 5.525 -3.545 211 2HG1 VAL 26 2HG1 VAL 26 -10.683 4.062 -3.531 212 3HG1 VAL 26 3HG1 VAL 26 -11.944 4.288 -2.319 213 1HG2 VAL 26 1HG2 VAL 26 -11.238 4.255 -5.781 214 2HG2 VAL 26 2HG2 VAL 26 -12.888 4.748 -6.161 215 3HG2 VAL 26 3HG2 VAL 26 -12.431 3.048 -6.263 216 H ALA 27 H ALA 27 -14.978 1.473 -2.930 217 HA ALA 27 HA ALA 27 -16.029 0.586 -5.530 218 1HB ALA 27 1HB ALA 27 -15.994 -0.654 -2.912 219 2HB ALA 27 2HB ALA 27 -16.254 -1.369 -4.500 220 3HB ALA 27 3HB ALA 27 -17.603 -0.637 -3.631 221 H CYS 28 H CYS 28 -17.674 1.627 -6.365 222 HA CYS 28 HA CYS 28 -18.921 3.800 -5.021 223 1HB CYS 28 1HB CYS 28 -19.950 2.514 -7.542 224 2HB CYS 28 2HB CYS 28 -20.080 4.197 -7.043 225 HG CYS 28 HG CYS 28 -17.434 4.337 -7.489 226 H GLY 29 H GLY 29 -20.661 3.838 -3.778 227 1HA GLY 29 1HA GLY 29 -22.736 1.806 -4.088 228 2HA GLY 29 2HA GLY 29 -21.933 1.885 -2.529 229 H GLY 30 H GLY 30 -21.785 4.971 -3.249 230 1HA GLY 30 1HA GLY 30 -24.474 5.536 -2.172 231 2HA GLY 30 2HA GLY 30 -23.038 6.478 -1.796 232 H ALA 31 H ALA 31 -22.028 7.664 -3.612 233 HA ALA 31 HA ALA 31 -24.121 8.830 -5.279 234 1HB ALA 31 1HB ALA 31 -22.250 10.054 -3.811 235 2HB ALA 31 2HB ALA 31 -22.948 10.765 -5.263 236 3HB ALA 31 3HB ALA 31 -21.388 9.950 -5.345 237 H VAL 32 H VAL 32 -23.552 9.439 -7.529 238 HA VAL 32 HA VAL 32 -21.867 7.378 -8.795 239 HB VAL 32 HB VAL 32 -24.188 8.555 -10.264 240 1HG1 VAL 32 1HG1 VAL 32 -23.146 5.742 -10.335 241 2HG1 VAL 32 2HG1 VAL 32 -22.379 7.041 -11.249 242 3HG1 VAL 32 3HG1 VAL 32 -24.062 6.613 -11.565 243 1HG2 VAL 32 1HG2 VAL 32 -24.341 6.514 -8.076 244 2HG2 VAL 32 2HG2 VAL 32 -25.468 6.466 -9.432 245 3HG2 VAL 32 3HG2 VAL 32 -25.398 7.890 -8.394 246 H ALA 33 H ALA 33 -21.661 10.416 -8.039 247 HA ALA 33 HA ALA 33 -20.602 11.249 -10.658 248 1HB ALA 33 1HB ALA 33 -21.785 13.129 -10.595 249 2HB ALA 33 2HB ALA 33 -21.204 13.502 -8.973 250 3HB ALA 33 3HB ALA 33 -22.632 12.490 -9.187 251 H THR 34 H THR 34 -19.720 10.283 -7.651 252 HA THR 34 HA THR 34 -17.516 12.186 -7.370 253 HB THR 34 HB THR 34 -18.825 11.658 -5.359 254 HG1 THR 34 HG1 THR 34 -16.374 10.403 -4.882 255 1HG2 THR 34 1HG2 THR 34 -17.890 9.146 -4.600 256 2HG2 THR 34 2HG2 THR 34 -18.509 8.946 -6.240 257 3HG2 THR 34 3HG2 THR 34 -19.548 9.607 -4.979 258 H SER 35 H SER 35 -17.505 10.369 -9.579 259 HA SER 35 HA SER 35 -15.752 8.182 -8.991 260 1HB SER 35 1HB SER 35 -16.246 9.375 -11.719 261 2HB SER 35 2HB SER 35 -15.793 7.718 -11.321 262 HG SER 35 HG SER 35 -17.924 7.568 -11.626 263 H THR 36 H THR 36 -15.315 11.177 -10.885 264 HA THR 36 HA THR 36 -12.487 10.886 -11.035 265 HB THR 36 HB THR 36 -12.996 13.569 -11.479 266 HG1 THR 36 HG1 THR 36 -15.044 12.674 -12.952 267 1HG2 THR 36 1HG2 THR 36 -11.782 12.632 -13.150 268 2HG2 THR 36 2HG2 THR 36 -13.358 12.691 -13.941 269 3HG2 THR 36 3HG2 THR 36 -12.786 11.184 -13.225 270 H MET 37 H MET 37 -14.680 12.624 -8.900 271 HA MET 37 HA MET 37 -12.798 14.235 -7.594 272 1HB MET 37 1HB MET 37 -15.554 13.367 -7.124 273 2HB MET 37 2HB MET 37 -14.658 13.663 -5.641 274 1HG MET 37 1HG MET 37 -14.065 15.816 -7.324 275 2HG MET 37 2HG MET 37 -15.796 15.533 -7.496 276 1HE MET 37 1HE MET 37 -16.941 14.579 -5.062 277 2HE MET 37 2HE MET 37 -17.592 16.146 -5.543 278 3HE MET 37 3HE MET 37 -17.108 15.869 -3.870 279 H ALA 38 H ALA 38 -14.119 11.069 -6.584 280 HA ALA 38 HA ALA 38 -12.487 10.760 -4.327 281 1HB ALA 38 1HB ALA 38 -13.095 8.415 -4.400 282 2HB ALA 38 2HB ALA 38 -13.648 8.585 -6.066 283 3HB ALA 38 3HB ALA 38 -14.501 9.415 -4.764 284 H ALA 39 H ALA 39 -12.076 9.554 -7.643 285 HA ALA 39 HA ALA 39 -9.667 8.206 -7.280 286 1HB ALA 39 1HB ALA 39 -9.362 8.892 -9.797 287 2HB ALA 39 2HB ALA 39 -11.029 9.443 -9.624 288 3HB ALA 39 3HB ALA 39 -10.621 7.755 -9.317 289 H GLU 40 H GLU 40 -10.176 11.545 -8.439 290 HA GLU 40 HA GLU 40 -7.426 12.181 -8.510 291 1HB GLU 40 1HB GLU 40 -9.328 13.368 -9.710 292 2HB GLU 40 2HB GLU 40 -9.657 14.178 -8.185 293 1HG GLU 40 1HG GLU 40 -8.329 15.619 -9.544 294 2HG GLU 40 2HG GLU 40 -7.339 15.048 -8.202 295 H GLU 41 H GLU 41 -9.923 12.752 -6.028 296 HA GLU 41 HA GLU 41 -8.402 14.336 -4.308 297 1HB GLU 41 1HB GLU 41 -10.881 12.872 -4.154 298 2HB GLU 41 2HB GLU 41 -9.980 12.667 -2.665 299 1HG GLU 41 1HG GLU 41 -10.653 14.652 -1.983 300 2HG GLU 41 2HG GLU 41 -9.848 15.403 -3.360 301 H ILE 42 H ILE 42 -8.881 10.813 -4.171 302 HA ILE 42 HA ILE 42 -6.974 10.412 -2.111 303 HB ILE 42 HB ILE 42 -7.910 8.355 -4.106 304 1HG1 ILE 42 1HG1 ILE 42 -9.174 8.678 -1.420 305 2HG1 ILE 42 2HG1 ILE 42 -9.659 9.776 -2.706 306 1HG2 ILE 42 1HG2 ILE 42 -6.208 7.333 -2.946 307 2HG2 ILE 42 2HG2 ILE 42 -7.596 6.932 -1.935 308 3HG2 ILE 42 3HG2 ILE 42 -6.520 8.250 -1.471 309 1HD1 ILE 42 1HD1 ILE 42 -10.747 7.323 -2.202 310 2HD1 ILE 42 2HD1 ILE 42 -9.635 6.985 -3.527 311 3HD1 ILE 42 3HD1 ILE 42 -10.882 8.217 -3.716 312 H LYS 43 H LYS 43 -6.798 10.256 -5.633 313 HA LYS 43 HA LYS 43 -4.256 9.108 -5.864 314 1HB LYS 43 1HB LYS 43 -5.908 9.482 -7.730 315 2HB LYS 43 2HB LYS 43 -5.416 11.170 -7.741 316 1HG LYS 43 1HG LYS 43 -4.036 10.404 -9.358 317 2HG LYS 43 2HG LYS 43 -3.015 10.046 -7.964 318 1HD LYS 43 1HD LYS 43 -4.788 7.859 -8.328 319 2HD LYS 43 2HD LYS 43 -4.084 8.249 -9.899 320 1HE LYS 43 1HE LYS 43 -2.044 7.535 -9.292 321 2HE LYS 43 2HE LYS 43 -2.163 8.260 -7.690 322 1HZ LYS 43 1HZ LYS 43 -2.165 6.060 -7.158 323 2HZ LYS 43 2HZ LYS 43 -2.947 5.581 -8.580 324 3HZ LYS 43 3HZ LYS 43 -3.832 6.297 -7.328 325 H GLU 44 H GLU 44 -5.149 12.566 -5.978 326 HA GLU 44 HA GLU 44 -2.536 13.548 -6.068 327 1HB GLU 44 1HB GLU 44 -3.447 15.687 -5.507 328 2HB GLU 44 2HB GLU 44 -4.620 14.862 -6.523 329 1HG GLU 44 1HG GLU 44 -6.151 15.306 -4.995 330 2HG GLU 44 2HG GLU 44 -5.319 14.193 -3.912 331 H LEU 45 H LEU 45 -4.511 12.518 -3.352 332 HA LEU 45 HA LEU 45 -2.947 13.628 -1.290 333 1HB LEU 45 1HB LEU 45 -5.305 12.291 -1.402 334 2HB LEU 45 2HB LEU 45 -4.260 11.040 -0.756 335 HG LEU 45 HG LEU 45 -3.557 12.831 0.979 336 1HD1 LEU 45 1HD1 LEU 45 -5.738 14.166 -0.458 337 2HD1 LEU 45 2HD1 LEU 45 -4.441 14.841 0.528 338 3HD1 LEU 45 3HD1 LEU 45 -5.884 14.186 1.299 339 1HD2 LEU 45 1HD2 LEU 45 -6.349 12.133 1.533 340 2HD2 LEU 45 2HD2 LEU 45 -4.879 11.734 2.421 341 3HD2 LEU 45 3HD2 LEU 45 -5.346 10.778 1.016 342 H CYS 46 H CYS 46 -3.036 10.269 -2.481 343 HA CYS 46 HA CYS 46 -0.924 9.273 -0.998 344 1HB CYS 46 1HB CYS 46 -1.589 8.480 -3.837 345 2HB CYS 46 2HB CYS 46 -0.767 7.499 -2.631 346 HG CYS 46 HG CYS 46 -3.796 7.995 -2.778 347 H GLN 47 H GLN 47 -0.862 11.015 -4.057 348 HA GLN 47 HA GLN 47 1.971 10.718 -4.426 349 1HB GLN 47 1HB GLN 47 -0.003 11.215 -6.143 350 2HB GLN 47 2HB GLN 47 0.438 12.878 -5.787 351 1HG GLN 47 1HG GLN 47 2.574 10.942 -6.524 352 2HG GLN 47 2HG GLN 47 1.525 11.591 -7.783 353 1HE2 GLN 47 1HE2 GLN 47 1.141 14.148 -7.028 354 2HE2 GLN 47 2HE2 GLN 47 2.637 15.009 -7.002 355 H SER 48 H SER 48 -0.155 13.016 -2.924 356 HA SER 48 HA SER 48 1.463 15.276 -2.819 357 1HB SER 48 1HB SER 48 -0.835 14.258 -1.278 358 2HB SER 48 2HB SER 48 0.182 15.412 -0.417 359 HG SER 48 HG SER 48 -1.145 15.772 -2.893 360 H HIS 49 H HIS 49 1.331 12.513 -0.591 361 HA HIS 49 HA HIS 49 3.686 13.555 0.810 362 1HB HIS 49 1HB HIS 49 1.908 11.214 1.527 363 2HB HIS 49 2HB HIS 49 3.204 11.874 2.520 364 HD1 HIS 49 HD1 HIS 49 -0.331 12.444 1.480 365 HD2 HIS 49 HD2 HIS 49 2.597 14.313 3.805 366 HE1 HIS 49 HE1 HIS 49 -1.529 14.233 2.817 367 HE2 HIS 49 HE2 HIS 49 0.272 15.397 4.140 368 H ASN 50 H ASN 50 3.435 12.023 -1.905 369 HA ASN 50 HA ASN 50 4.619 10.470 -3.074 370 1HB ASN 50 1HB ASN 50 6.612 11.180 -0.920 371 2HB ASN 50 2HB ASN 50 7.005 10.142 -2.287 372 1HD2 ASN 50 1HD2 ASN 50 8.609 11.761 -2.756 373 2HD2 ASN 50 2HD2 ASN 50 8.158 13.176 -3.638 374 H ILE 51 H ILE 51 2.758 9.265 -1.566 375 HA ILE 51 HA ILE 51 4.049 7.074 -0.113 376 HB ILE 51 HB ILE 51 1.098 7.645 -0.420 377 1HG1 ILE 51 1HG1 ILE 51 2.870 8.262 1.950 378 2HG1 ILE 51 2HG1 ILE 51 2.392 9.457 0.748 379 1HG2 ILE 51 1HG2 ILE 51 2.193 5.308 0.293 380 2HG2 ILE 51 2HG2 ILE 51 0.668 5.899 0.951 381 3HG2 ILE 51 3HG2 ILE 51 2.161 6.106 1.866 382 1HD1 ILE 51 1HD1 ILE 51 0.674 8.020 2.738 383 2HD1 ILE 51 2HD1 ILE 51 -0.005 8.852 1.338 384 3HD1 ILE 51 3HD1 ILE 51 0.921 9.755 2.538 385 HA PRO 52 HA PRO 52 3.806 4.901 -4.121 386 1HB PRO 52 1HB PRO 52 4.894 2.769 -2.347 387 2HB PRO 52 2HB PRO 52 5.443 3.296 -3.943 388 1HG PRO 52 1HG PRO 52 6.797 3.977 -1.759 389 2HG PRO 52 2HG PRO 52 6.582 5.131 -3.090 390 1HD PRO 52 1HD PRO 52 5.196 5.004 -0.445 391 2HD PRO 52 2HD PRO 52 5.719 6.417 -1.381 392 H VAL 53 H VAL 53 1.710 4.470 -4.498 393 HA VAL 53 HA VAL 53 0.594 2.026 -3.469 394 HB VAL 53 HB VAL 53 -0.019 3.572 -1.669 395 1HG1 VAL 53 1HG1 VAL 53 -0.837 5.256 -3.947 396 2HG1 VAL 53 2HG1 VAL 53 -0.189 5.706 -2.371 397 3HG1 VAL 53 3HG1 VAL 53 -1.890 5.280 -2.534 398 1HG2 VAL 53 1HG2 VAL 53 -2.278 2.995 -1.502 399 2HG2 VAL 53 2HG2 VAL 53 -1.593 1.750 -2.540 400 3HG2 VAL 53 3HG2 VAL 53 -2.520 3.069 -3.247 401 H GLU 54 H GLU 54 -1.480 1.499 -4.528 402 HA GLU 54 HA GLU 54 -1.818 2.944 -7.074 403 1HB GLU 54 1HB GLU 54 -2.548 0.073 -7.012 404 2HB GLU 54 2HB GLU 54 -1.836 1.026 -8.305 405 1HG GLU 54 1HG GLU 54 0.257 0.982 -6.681 406 2HG GLU 54 2HG GLU 54 -0.533 -0.492 -6.119 407 H LEU 55 H LEU 55 -3.767 3.867 -7.216 408 HA LEU 55 HA LEU 55 -5.897 2.959 -5.472 409 1HB LEU 55 1HB LEU 55 -5.231 5.434 -6.163 410 2HB LEU 55 2HB LEU 55 -6.352 5.110 -7.474 411 HG LEU 55 HG LEU 55 -8.035 4.438 -5.681 412 1HD1 LEU 55 1HD1 LEU 55 -5.887 5.664 -3.983 413 2HD1 LEU 55 2HD1 LEU 55 -6.701 4.114 -3.786 414 3HD1 LEU 55 3HD1 LEU 55 -7.576 5.612 -3.477 415 1HD2 LEU 55 1HD2 LEU 55 -8.499 6.443 -6.751 416 2HD2 LEU 55 2HD2 LEU 55 -7.045 7.226 -6.133 417 3HD2 LEU 55 3HD2 LEU 55 -8.406 6.916 -5.056 418 H ILE 56 H ILE 56 -7.148 1.395 -6.050 419 HA ILE 56 HA ILE 56 -7.730 0.934 -8.889 420 HB ILE 56 HB ILE 56 -8.746 -1.257 -7.639 421 1HG1 ILE 56 1HG1 ILE 56 -6.259 -0.456 -6.109 422 2HG1 ILE 56 2HG1 ILE 56 -7.881 -0.589 -5.447 423 1HG2 ILE 56 1HG2 ILE 56 -6.065 -1.890 -8.166 424 2HG2 ILE 56 2HG2 ILE 56 -6.507 -0.601 -9.285 425 3HG2 ILE 56 3HG2 ILE 56 -7.458 -2.085 -9.228 426 1HD1 ILE 56 1HD1 ILE 56 -6.136 -2.498 -5.119 427 2HD1 ILE 56 2HD1 ILE 56 -6.653 -2.967 -6.738 428 3HD1 ILE 56 3HD1 ILE 56 -7.829 -2.878 -5.429 429 H GLN 57 H GLN 57 -9.897 0.467 -9.558 430 HA GLN 57 HA GLN 57 -11.961 1.359 -7.662 431 1HB GLN 57 1HB GLN 57 -11.532 3.145 -9.280 432 2HB GLN 57 2HB GLN 57 -11.788 2.022 -10.608 433 1HG GLN 57 1HG GLN 57 -14.049 1.972 -8.857 434 2HG GLN 57 2HG GLN 57 -13.682 3.635 -9.313 435 1HE2 GLN 57 1HE2 GLN 57 -15.632 1.268 -10.082 436 2HE2 GLN 57 2HE2 GLN 57 -15.761 1.462 -11.794 437 H CYS 58 H CYS 58 -13.664 0.001 -7.469 438 HA CYS 58 HA CYS 58 -14.388 -1.815 -9.601 439 1HB CYS 58 1HB CYS 58 -12.716 -2.671 -7.412 440 2HB CYS 58 2HB CYS 58 -14.258 -3.519 -7.362 441 HG CYS 58 HG CYS 58 -12.639 -3.567 -10.004 442 H ARG 59 H ARG 59 -16.345 -3.207 -8.886 443 HA ARG 59 HA ARG 59 -18.252 -1.415 -7.731 444 1HB ARG 59 1HB ARG 59 -18.392 -3.430 -9.571 445 2HB ARG 59 2HB ARG 59 -19.058 -4.215 -8.146 446 1HG ARG 59 1HG ARG 59 -20.217 -1.627 -8.369 447 2HG ARG 59 2HG ARG 59 -20.331 -2.433 -9.934 448 1HD ARG 59 1HD ARG 59 -21.015 -4.409 -8.122 449 2HD ARG 59 2HD ARG 59 -21.755 -2.956 -7.456 450 HE ARG 59 HE ARG 59 -22.209 -3.545 -10.280 451 1HH1 ARG 59 1HH1 ARG 59 -23.451 -3.494 -7.012 452 2HH1 ARG 59 2HH1 ARG 59 -25.103 -3.623 -7.507 453 1HH2 ARG 59 1HH2 ARG 59 -24.392 -3.726 -10.924 454 2HH2 ARG 59 2HH2 ARG 59 -25.637 -3.758 -9.719 455 H VAL 60 H VAL 60 -19.961 -3.157 -6.433 456 HA VAL 60 HA VAL 60 -18.698 -3.315 -3.836 457 HB VAL 60 HB VAL 60 -21.540 -3.927 -4.667 458 1HG1 VAL 60 1HG1 VAL 60 -20.865 -5.093 -2.598 459 2HG1 VAL 60 2HG1 VAL 60 -22.097 -3.866 -2.314 460 3HG1 VAL 60 3HG1 VAL 60 -20.416 -3.540 -1.893 461 1HG2 VAL 60 1HG2 VAL 60 -21.974 -1.748 -4.553 462 2HG2 VAL 60 2HG2 VAL 60 -20.234 -1.473 -4.492 463 3HG2 VAL 60 3HG2 VAL 60 -21.159 -1.603 -2.996 464 H ASN 61 H ASN 61 -19.192 -5.435 -6.444 465 HA ASN 61 HA ASN 61 -18.512 -7.712 -4.728 466 1HB ASN 61 1HB ASN 61 -19.996 -9.130 -6.256 467 2HB ASN 61 2HB ASN 61 -20.815 -8.107 -5.080 468 1HD2 ASN 61 1HD2 ASN 61 -20.360 -8.831 -8.378 469 2HD2 ASN 61 2HD2 ASN 61 -21.407 -7.620 -9.027 470 H GLU 62 H GLU 62 -16.406 -6.921 -5.654 471 HA GLU 62 HA GLU 62 -15.675 -8.616 -7.852 472 1HB GLU 62 1HB GLU 62 -16.495 -6.151 -8.627 473 2HB GLU 62 2HB GLU 62 -14.789 -5.838 -8.340 474 1HG GLU 62 1HG GLU 62 -14.531 -6.511 -10.452 475 2HG GLU 62 2HG GLU 62 -14.664 -8.135 -9.778 476 H ILE 63 H ILE 63 -14.789 -6.167 -5.483 477 HA ILE 63 HA ILE 63 -12.023 -6.358 -5.630 478 HB ILE 63 HB ILE 63 -12.053 -5.678 -3.199 479 1HG1 ILE 63 1HG1 ILE 63 -15.034 -5.474 -3.668 480 2HG1 ILE 63 2HG1 ILE 63 -14.286 -6.767 -2.737 481 1HG2 ILE 63 1HG2 ILE 63 -11.872 -4.065 -4.950 482 2HG2 ILE 63 2HG2 ILE 63 -12.996 -3.442 -3.741 483 3HG2 ILE 63 3HG2 ILE 63 -13.607 -4.120 -5.251 484 1HD1 ILE 63 1HD1 ILE 63 -13.413 -5.110 -1.162 485 2HD1 ILE 63 2HD1 ILE 63 -15.171 -5.054 -1.279 486 3HD1 ILE 63 3HD1 ILE 63 -14.196 -3.830 -2.090 487 H GLU 64 H GLU 64 -14.332 -8.540 -4.282 488 HA GLU 64 HA GLU 64 -12.528 -9.966 -2.611 489 1HB GLU 64 1HB GLU 64 -15.092 -9.926 -2.527 490 2HB GLU 64 2HB GLU 64 -15.030 -11.107 -3.826 491 1HG GLU 64 1HG GLU 64 -13.264 -11.967 -1.785 492 2HG GLU 64 2HG GLU 64 -14.797 -11.524 -1.034 493 H THR 65 H THR 65 -13.591 -10.317 -5.957 494 HA THR 65 HA THR 65 -12.237 -12.830 -6.306 495 HB THR 65 HB THR 65 -12.953 -11.259 -8.705 496 HG1 THR 65 HG1 THR 65 -14.976 -12.229 -6.978 497 1HG2 THR 65 1HG2 THR 65 -13.601 -14.038 -7.760 498 2HG2 THR 65 2HG2 THR 65 -12.413 -13.575 -8.978 499 3HG2 THR 65 3HG2 THR 65 -14.134 -13.349 -9.293 500 H TYR 66 H TYR 66 -11.603 -9.459 -7.234 501 HA TYR 66 HA TYR 66 -9.031 -10.259 -8.353 502 1HB TYR 66 1HB TYR 66 -8.997 -8.293 -9.506 503 2HB TYR 66 2HB TYR 66 -10.733 -8.426 -9.263 504 HD1 TYR 66 HD1 TYR 66 -7.663 -6.740 -8.080 505 HD2 TYR 66 HD2 TYR 66 -11.913 -6.815 -7.966 506 HE1 TYR 66 HE1 TYR 66 -7.667 -4.541 -6.994 507 HE2 TYR 66 HE2 TYR 66 -11.924 -4.605 -6.884 508 HH TYR 66 HH TYR 66 -9.368 -2.571 -6.838 509 H MET 67 H MET 67 -9.880 -10.121 -5.376 510 HA MET 67 HA MET 67 -8.194 -8.173 -4.160 511 1HB MET 67 1HB MET 67 -10.174 -9.909 -3.283 512 2HB MET 67 2HB MET 67 -8.720 -10.536 -2.527 513 1HG MET 67 1HG MET 67 -9.419 -7.630 -2.375 514 2HG MET 67 2HG MET 67 -10.105 -8.803 -1.255 515 1HE MET 67 1HE MET 67 -8.043 -10.685 -0.020 516 2HE MET 67 2HE MET 67 -9.155 -9.548 0.744 517 3HE MET 67 3HE MET 67 -7.455 -9.570 1.214 518 H ASP 68 H ASP 68 -6.508 -9.162 -5.949 519 HA ASP 68 HA ASP 68 -4.994 -11.406 -5.125 520 1HB ASP 68 1HB ASP 68 -4.681 -9.230 -7.132 521 2HB ASP 68 2HB ASP 68 -3.233 -10.116 -6.663 522 H GLY 69 H GLY 69 -4.575 -7.907 -4.686 523 1HA GLY 69 1HA GLY 69 -3.075 -8.355 -2.269 524 2HA GLY 69 2HA GLY 69 -2.087 -7.748 -3.589 525 H VAL 70 H VAL 70 -4.974 -7.048 -1.661 526 HA VAL 70 HA VAL 70 -4.652 -4.205 -2.329 527 HB VAL 70 HB VAL 70 -7.031 -5.223 -0.824 528 1HG1 VAL 70 1HG1 VAL 70 -7.618 -3.100 -1.088 529 2HG1 VAL 70 2HG1 VAL 70 -7.686 -3.362 -2.828 530 3HG1 VAL 70 3HG1 VAL 70 -6.200 -2.798 -2.079 531 1HG2 VAL 70 1HG2 VAL 70 -7.937 -6.359 -2.518 532 2HG2 VAL 70 2HG2 VAL 70 -6.339 -6.365 -3.260 533 3HG2 VAL 70 3HG2 VAL 70 -7.501 -5.111 -3.684 534 H HIS 71 H HIS 71 -3.907 -2.826 -0.861 535 HA HIS 71 HA HIS 71 -3.255 -3.783 1.794 536 1HB HIS 71 1HB HIS 71 -1.665 -2.439 0.432 537 2HB HIS 71 2HB HIS 71 -2.760 -1.069 0.556 538 HD1 HIS 71 HD1 HIS 71 -0.914 -3.417 2.935 539 HD2 HIS 71 HD2 HIS 71 -2.110 0.572 2.590 540 HE1 HIS 71 HE1 HIS 71 0.038 -2.219 4.956 541 HE2 HIS 71 HE2 HIS 71 -0.814 0.147 4.787 542 H LEU 72 H LEU 72 -5.673 -1.799 0.292 543 HA LEU 72 HA LEU 72 -7.095 -1.599 2.784 544 1HB LEU 72 1HB LEU 72 -5.923 0.821 1.456 545 2HB LEU 72 2HB LEU 72 -7.397 0.946 2.397 546 HG LEU 72 HG LEU 72 -4.674 0.111 3.390 547 1HD1 LEU 72 1HD1 LEU 72 -4.478 2.327 3.608 548 2HD1 LEU 72 2HD1 LEU 72 -5.589 2.145 4.966 549 3HD1 LEU 72 3HD1 LEU 72 -6.206 2.598 3.377 550 1HD2 LEU 72 1HD2 LEU 72 -7.091 -0.842 4.345 551 2HD2 LEU 72 2HD2 LEU 72 -6.718 0.508 5.412 552 3HD2 LEU 72 3HD2 LEU 72 -5.561 -0.807 5.216 553 H ILE 73 H ILE 73 -9.292 -1.177 2.539 554 HA ILE 73 HA ILE 73 -10.254 -1.013 -0.248 555 HB ILE 73 HB ILE 73 -12.045 -2.335 1.645 556 1HG1 ILE 73 1HG1 ILE 73 -9.932 -3.186 2.525 557 2HG1 ILE 73 2HG1 ILE 73 -10.848 -4.447 1.718 558 1HG2 ILE 73 1HG2 ILE 73 -12.029 -4.045 -0.259 559 2HG2 ILE 73 2HG2 ILE 73 -11.114 -2.830 -1.135 560 3HG2 ILE 73 3HG2 ILE 73 -12.731 -2.456 -0.552 561 1HD1 ILE 73 1HD1 ILE 73 -9.121 -4.901 0.431 562 2HD1 ILE 73 2HD1 ILE 73 -8.192 -3.651 1.259 563 3HD1 ILE 73 3HD1 ILE 73 -9.129 -3.247 -0.179 564 H CYS 74 H CYS 74 -11.959 0.357 -0.642 565 HA CYS 74 HA CYS 74 -13.126 1.724 1.694 566 1HB CYS 74 1HB CYS 74 -11.496 3.189 0.543 567 2HB CYS 74 2HB CYS 74 -12.420 3.020 -0.946 568 HG CYS 74 HG CYS 74 -14.220 4.525 -0.025 569 H THR 75 H THR 75 -15.122 0.894 1.799 570 HA THR 75 HA THR 75 -16.856 1.214 -0.535 571 HB THR 75 HB THR 75 -16.795 -1.316 1.114 572 HG1 THR 75 HG1 THR 75 -16.091 -1.720 -1.429 573 1HG2 THR 75 1HG2 THR 75 -18.691 -1.858 0.129 574 2HG2 THR 75 2HG2 THR 75 -17.933 -1.685 -1.453 575 3HG2 THR 75 3HG2 THR 75 -18.719 -0.301 -0.696 576 H THR 76 H THR 76 -19.044 1.503 -0.040 577 HA THR 76 HA THR 76 -19.546 2.437 2.668 578 HB THR 76 HB THR 76 -21.466 2.464 0.339 579 HG1 THR 76 HG1 THR 76 -20.449 4.112 -0.476 580 1HG2 THR 76 1HG2 THR 76 -22.074 4.677 1.540 581 2HG2 THR 76 2HG2 THR 76 -21.312 3.915 2.936 582 3HG2 THR 76 3HG2 THR 76 -22.692 3.144 2.154 583 H ALA 77 H ALA 77 -19.377 0.169 3.482 584 HA ALA 77 HA ALA 77 -21.906 -0.879 4.094 585 1HB ALA 77 1HB ALA 77 -20.565 -2.909 2.417 586 2HB ALA 77 2HB ALA 77 -21.350 -1.574 1.573 587 3HB ALA 77 3HB ALA 77 -22.283 -2.595 2.668 588 H ARG 78 H ARG 78 -18.452 -1.329 3.868 589 HA ARG 78 HA ARG 78 -16.956 -2.534 5.094 590 1HB ARG 78 1HB ARG 78 -17.042 -2.140 7.445 591 2HB ARG 78 2HB ARG 78 -17.657 -0.707 6.639 592 1HG ARG 78 1HG ARG 78 -19.822 -1.072 7.353 593 2HG ARG 78 2HG ARG 78 -19.560 -2.796 7.605 594 1HD ARG 78 1HD ARG 78 -18.123 -0.735 9.243 595 2HD ARG 78 2HD ARG 78 -19.747 -1.273 9.666 596 HE ARG 78 HE ARG 78 -18.098 -3.519 9.298 597 1HH1 ARG 78 1HH1 ARG 78 -18.563 -0.864 11.517 598 2HH1 ARG 78 2HH1 ARG 78 -17.952 -1.735 12.884 599 1HH2 ARG 78 1HH2 ARG 78 -17.291 -4.665 11.093 600 2HH2 ARG 78 2HH2 ARG 78 -17.229 -3.893 12.643 601 H VAL 79 H VAL 79 -18.767 -4.193 3.851 602 HA VAL 79 HA VAL 79 -19.954 -6.100 5.575 603 HB VAL 79 HB VAL 79 -20.015 -7.578 3.577 604 1HG1 VAL 79 1HG1 VAL 79 -20.864 -4.780 2.870 605 2HG1 VAL 79 2HG1 VAL 79 -21.710 -5.777 4.053 606 3HG1 VAL 79 3HG1 VAL 79 -21.607 -6.300 2.371 607 1HG2 VAL 79 1HG2 VAL 79 -18.126 -7.208 2.318 608 2HG2 VAL 79 2HG2 VAL 79 -18.213 -5.457 2.502 609 3HG2 VAL 79 3HG2 VAL 79 -19.318 -6.284 1.405 610 H ASP 80 H ASP 80 -17.920 -6.062 6.993 611 HA ASP 80 HA ASP 80 -15.888 -7.961 6.079 612 1HB ASP 80 1HB ASP 80 -15.403 -5.651 7.191 613 2HB ASP 80 2HB ASP 80 -15.777 -6.493 8.690 614 H ARG 81 H ARG 81 -18.598 -7.681 8.176 615 HA ARG 81 HA ARG 81 -18.033 -9.534 10.161 616 1HB ARG 81 1HB ARG 81 -20.617 -8.759 8.820 617 2HB ARG 81 2HB ARG 81 -20.565 -9.898 10.159 618 1HG ARG 81 1HG ARG 81 -19.351 -7.167 10.383 619 2HG ARG 81 2HG ARG 81 -21.067 -7.448 10.682 620 1HD ARG 81 1HD ARG 81 -20.487 -9.103 12.396 621 2HD ARG 81 2HD ARG 81 -18.776 -8.803 12.101 622 HE ARG 81 HE ARG 81 -19.782 -6.347 12.701 623 1HH1 ARG 81 1HH1 ARG 81 -19.811 -9.448 14.299 624 2HH1 ARG 81 2HH1 ARG 81 -19.856 -8.769 15.891 625 1HH2 ARG 81 1HH2 ARG 81 -19.845 -5.450 14.797 626 2HH2 ARG 81 2HH2 ARG 81 -19.876 -6.499 16.174 627 H SER 82 H SER 82 -19.070 -10.031 6.836 628 HA SER 82 HA SER 82 -18.926 -12.940 7.273 629 1HB SER 82 1HB SER 82 -20.935 -11.370 6.048 630 2HB SER 82 2HB SER 82 -20.144 -12.270 4.755 631 HG SER 82 HG SER 82 -20.432 -14.145 6.233 632 H PHE 83 H PHE 83 -17.028 -10.537 6.248 633 HA PHE 83 HA PHE 83 -16.034 -11.811 3.819 634 1HB PHE 83 1HB PHE 83 -16.153 -9.166 4.738 635 2HB PHE 83 2HB PHE 83 -14.447 -9.578 4.753 636 HD1 PHE 83 HD1 PHE 83 -17.422 -9.138 2.656 637 HD2 PHE 83 HD2 PHE 83 -13.247 -9.959 2.716 638 HE1 PHE 83 HE1 PHE 83 -17.305 -8.701 0.238 639 HE2 PHE 83 HE2 PHE 83 -13.123 -9.525 0.297 640 HZ PHE 83 HZ PHE 83 -15.153 -8.889 -0.941 641 H GLY 84 H GLY 84 -14.817 -10.821 7.012 642 1HA GLY 84 1HA GLY 84 -13.513 -12.816 8.022 643 2HA GLY 84 2HA GLY 84 -12.483 -12.568 6.619 644 H ASP 85 H ASP 85 -11.461 -10.440 6.396 645 HA ASP 85 HA ASP 85 -11.309 -8.771 8.754 646 1HB ASP 85 1HB ASP 85 -9.607 -10.851 8.797 647 2HB ASP 85 2HB ASP 85 -8.651 -9.729 7.834 648 H ILE 86 H ILE 86 -11.875 -8.748 5.754 649 HA ILE 86 HA ILE 86 -9.972 -7.419 4.301 650 HB ILE 86 HB ILE 86 -12.048 -8.210 3.328 651 1HG1 ILE 86 1HG1 ILE 86 -12.431 -5.386 2.695 652 2HG1 ILE 86 2HG1 ILE 86 -10.737 -5.870 2.684 653 1HG2 ILE 86 1HG2 ILE 86 -13.465 -5.875 4.563 654 2HG2 ILE 86 2HG2 ILE 86 -13.446 -7.472 5.307 655 3HG2 ILE 86 3HG2 ILE 86 -14.159 -7.249 3.709 656 1HD1 ILE 86 1HD1 ILE 86 -12.878 -6.487 0.810 657 2HD1 ILE 86 2HD1 ILE 86 -11.923 -7.892 1.285 658 3HD1 ILE 86 3HD1 ILE 86 -11.130 -6.484 0.581 659 HA PRO 87 HA PRO 87 -9.577 -3.754 6.952 660 1HB PRO 87 1HB PRO 87 -7.443 -2.733 5.588 661 2HB PRO 87 2HB PRO 87 -7.304 -3.995 6.815 662 1HG PRO 87 1HG PRO 87 -7.416 -4.267 3.831 663 2HG PRO 87 2HG PRO 87 -6.321 -5.058 4.983 664 1HD PRO 87 1HD PRO 87 -8.443 -6.346 3.991 665 2HD PRO 87 2HD PRO 87 -7.948 -6.563 5.683 666 H LEU 88 H LEU 88 -11.733 -3.298 5.661 667 HA LEU 88 HA LEU 88 -11.223 -1.178 3.703 668 1HB LEU 88 1HB LEU 88 -13.232 -1.589 2.702 669 2HB LEU 88 2HB LEU 88 -12.793 -3.191 3.252 670 HG LEU 88 HG LEU 88 -14.560 -1.493 4.969 671 1HD1 LEU 88 1HD1 LEU 88 -16.254 -1.478 3.535 672 2HD1 LEU 88 2HD1 LEU 88 -16.089 -3.212 3.258 673 3HD1 LEU 88 3HD1 LEU 88 -15.159 -2.072 2.287 674 1HD2 LEU 88 1HD2 LEU 88 -14.121 -3.429 6.088 675 2HD2 LEU 88 2HD2 LEU 88 -13.879 -4.352 4.607 676 3HD2 LEU 88 3HD2 LEU 88 -15.512 -3.962 5.140 677 H VAL 89 H VAL 89 -12.668 0.708 3.723 678 HA VAL 89 HA VAL 89 -13.650 1.429 6.387 679 HB VAL 89 HB VAL 89 -12.030 3.414 4.816 680 1HG1 VAL 89 1HG1 VAL 89 -11.775 4.439 7.058 681 2HG1 VAL 89 2HG1 VAL 89 -12.825 3.185 7.717 682 3HG1 VAL 89 3HG1 VAL 89 -13.455 4.329 6.532 683 1HG2 VAL 89 1HG2 VAL 89 -11.063 1.206 6.558 684 2HG2 VAL 89 2HG2 VAL 89 -10.260 2.772 6.669 685 3HG2 VAL 89 3HG2 VAL 89 -10.324 1.922 5.125 686 H HIS 90 H HIS 90 -15.133 3.211 6.390 687 HA HIS 90 HA HIS 90 -16.774 3.253 4.013 688 1HB HIS 90 1HB HIS 90 -17.076 4.265 6.817 689 2HB HIS 90 2HB HIS 90 -18.160 4.841 5.557 690 HD1 HIS 90 HD1 HIS 90 -19.918 3.610 7.261 691 HD2 HIS 90 HD2 HIS 90 -17.424 1.174 4.946 692 HE1 HIS 90 HE1 HIS 90 -20.980 1.307 7.259 693 HE2 HIS 90 HE2 HIS 90 -19.463 -0.119 5.852 694 H GLY 91 H GLY 91 -17.370 5.086 2.835 695 1HA GLY 91 1HA GLY 91 -15.558 7.399 3.160 696 2HA GLY 91 2HA GLY 91 -16.064 6.785 1.593 697 H MET 92 H MET 92 -18.367 6.873 4.173 698 HA MET 92 HA MET 92 -20.325 8.252 2.840 699 1HB MET 92 1HB MET 92 -20.141 7.109 5.290 700 2HB MET 92 2HB MET 92 -20.175 8.808 5.742 701 1HG MET 92 1HG MET 92 -22.391 8.524 5.713 702 2HG MET 92 2HG MET 92 -22.211 8.727 3.972 703 1HE MET 92 1HE MET 92 -24.428 7.396 5.812 704 2HE MET 92 2HE MET 92 -23.524 6.207 6.750 705 3HE MET 92 3HE MET 92 -24.667 5.673 5.517 706 HA PRO 93 HA PRO 93 -18.786 12.400 4.742 707 1HB PRO 93 1HB PRO 93 -16.321 12.488 5.838 708 2HB PRO 93 2HB PRO 93 -17.756 12.025 6.762 709 1HG PRO 93 1HG PRO 93 -15.652 10.292 5.533 710 2HG PRO 93 2HG PRO 93 -16.444 10.148 7.113 711 1HD PRO 93 1HD PRO 93 -17.137 8.661 4.943 712 2HD PRO 93 2HD PRO 93 -18.269 9.083 6.241 713 H PHE 94 H PHE 94 -16.450 10.315 3.132 714 HA PHE 94 HA PHE 94 -14.915 12.391 1.953 715 1HB PHE 94 1HB PHE 94 -14.896 9.552 1.964 716 2HB PHE 94 2HB PHE 94 -14.939 10.060 0.280 717 HD1 PHE 94 HD1 PHE 94 -13.377 12.634 0.588 718 HD2 PHE 94 HD2 PHE 94 -12.714 8.707 2.087 719 HE1 PHE 94 HE1 PHE 94 -10.957 13.076 0.666 720 HE2 PHE 94 HE2 PHE 94 -10.294 9.141 2.167 721 HZ PHE 94 HZ PHE 94 -9.413 11.328 1.458 722 H VAL 95 H VAL 95 -17.791 10.631 0.980 723 HA VAL 95 HA VAL 95 -17.908 11.772 -1.644 724 HB VAL 95 HB VAL 95 -20.183 10.482 -0.142 725 1HG1 VAL 95 1HG1 VAL 95 -20.967 9.901 -2.389 726 2HG1 VAL 95 2HG1 VAL 95 -19.594 10.759 -3.087 727 3HG1 VAL 95 3HG1 VAL 95 -20.820 11.646 -2.182 728 1HG2 VAL 95 1HG2 VAL 95 -17.960 9.155 -0.296 729 2HG2 VAL 95 2HG2 VAL 95 -18.373 8.990 -2.001 730 3HG2 VAL 95 3HG2 VAL 95 -19.466 8.366 -0.765 731 H SER 96 H SER 96 -18.930 12.758 1.498 732 HA SER 96 HA SER 96 -21.073 14.445 0.810 733 1HB SER 96 1HB SER 96 -19.397 13.963 3.156 734 2HB SER 96 2HB SER 96 -19.892 15.650 3.010 735 HG SER 96 HG SER 96 -21.776 13.583 2.689 736 H GLY 97 H GLY 97 -17.584 14.982 0.944 737 1HA GLY 97 1HA GLY 97 -16.360 16.547 -0.272 738 2HA GLY 97 2HA GLY 97 -17.868 17.259 -0.821 739 H VAL 98 H VAL 98 -18.350 17.073 2.363 740 HA VAL 98 HA VAL 98 -17.069 19.670 2.897 741 HB VAL 98 HB VAL 98 -19.506 19.892 2.576 742 1HG1 VAL 98 1HG1 VAL 98 -19.563 17.589 4.317 743 2HG1 VAL 98 2HG1 VAL 98 -20.836 18.267 3.304 744 3HG1 VAL 98 3HG1 VAL 98 -20.585 18.885 4.936 745 1HG2 VAL 98 1HG2 VAL 98 -18.316 21.437 4.042 746 2HG2 VAL 98 2HG2 VAL 98 -18.595 20.362 5.413 747 3HG2 VAL 98 3HG2 VAL 98 -19.957 21.152 4.619 748 H GLY 99 H GLY 99 -17.908 16.510 4.115 749 1HA GLY 99 1HA GLY 99 -16.957 17.097 6.794 750 2HA GLY 99 2HA GLY 99 -17.564 15.555 6.217 751 H ILE 100 H ILE 100 -15.385 16.458 3.944 752 HA ILE 100 HA ILE 100 -13.485 14.521 4.704 753 HB ILE 100 HB ILE 100 -13.190 16.756 2.690 754 1HG1 ILE 100 1HG1 ILE 100 -13.762 13.896 2.023 755 2HG1 ILE 100 2HG1 ILE 100 -15.085 14.946 2.515 756 1HG2 ILE 100 1HG2 ILE 100 -11.023 16.058 2.917 757 2HG2 ILE 100 2HG2 ILE 100 -11.592 14.897 1.718 758 3HG2 ILE 100 3HG2 ILE 100 -11.485 14.429 3.414 759 1HD1 ILE 100 1HD1 ILE 100 -14.829 14.785 0.077 760 2HD1 ILE 100 2HD1 ILE 100 -13.218 15.489 0.219 761 3HD1 ILE 100 3HD1 ILE 100 -14.636 16.433 0.675 762 H GLU 101 H GLU 101 -13.555 18.038 5.025 763 HA GLU 101 HA GLU 101 -10.968 18.604 5.713 764 1HB GLU 101 1HB GLU 101 -13.582 19.799 6.250 765 2HB GLU 101 2HB GLU 101 -12.395 20.160 7.497 766 1HG GLU 101 1HG GLU 101 -12.174 20.730 4.553 767 2HG GLU 101 2HG GLU 101 -12.350 21.899 5.862 768 H ALA 102 H ALA 102 -13.529 17.664 8.017 769 HA ALA 102 HA ALA 102 -11.710 17.440 10.203 770 1HB ALA 102 1HB ALA 102 -13.631 16.434 11.392 771 2HB ALA 102 2HB ALA 102 -14.539 16.451 9.881 772 3HB ALA 102 3HB ALA 102 -14.026 17.968 10.618 773 H LEU 103 H LEU 103 -13.299 15.104 8.057 774 HA LEU 103 HA LEU 103 -12.404 12.764 9.296 775 1HB LEU 103 1HB LEU 103 -14.124 12.642 7.637 776 2HB LEU 103 2HB LEU 103 -13.077 13.343 6.417 777 HG LEU 103 HG LEU 103 -11.670 11.109 7.144 778 1HD1 LEU 103 1HD1 LEU 103 -13.302 9.258 7.089 779 2HD1 LEU 103 2HD1 LEU 103 -14.591 10.444 7.272 780 3HD1 LEU 103 3HD1 LEU 103 -13.398 10.243 8.548 781 1HD2 LEU 103 1HD2 LEU 103 -11.887 10.584 4.969 782 2HD2 LEU 103 2HD2 LEU 103 -12.690 12.150 4.867 783 3HD2 LEU 103 3HD2 LEU 103 -13.647 10.676 5.015 784 H GLN 104 H GLN 104 -10.873 14.804 6.857 785 HA GLN 104 HA GLN 104 -8.804 13.256 5.991 786 1HB GLN 104 1HB GLN 104 -9.380 15.681 5.407 787 2HB GLN 104 2HB GLN 104 -8.389 16.131 6.785 788 1HG GLN 104 1HG GLN 104 -6.603 14.628 5.601 789 2HG GLN 104 2HG GLN 104 -7.587 14.958 4.175 790 1HE2 GLN 104 1HE2 GLN 104 -5.505 16.304 6.600 791 2HE2 GLN 104 2HE2 GLN 104 -5.256 17.832 5.835 792 H ASN 105 H ASN 105 -8.776 15.263 8.935 793 HA ASN 105 HA ASN 105 -6.221 14.654 9.813 794 1HB ASN 105 1HB ASN 105 -8.214 16.193 10.768 795 2HB ASN 105 2HB ASN 105 -8.328 14.841 11.892 796 1HD2 ASN 105 1HD2 ASN 105 -5.512 16.306 10.319 797 2HD2 ASN 105 2HD2 ASN 105 -4.700 16.727 11.783 798 H LYS 106 H LYS 106 -9.262 12.960 10.564 799 HA LYS 106 HA LYS 106 -8.139 10.984 12.208 800 1HB LYS 106 1HB LYS 106 -10.694 11.610 11.211 801 2HB LYS 106 2HB LYS 106 -10.384 9.948 10.730 802 1HG LYS 106 1HG LYS 106 -10.442 9.175 12.852 803 2HG LYS 106 2HG LYS 106 -9.735 10.645 13.523 804 1HD LYS 106 1HD LYS 106 -11.753 11.366 14.116 805 2HD LYS 106 2HD LYS 106 -12.291 11.288 12.437 806 1HE LYS 106 1HE LYS 106 -13.752 9.770 13.219 807 2HE LYS 106 2HE LYS 106 -12.378 8.669 13.130 808 1HZ LYS 106 1HZ LYS 106 -13.667 9.846 15.461 809 2HZ LYS 106 2HZ LYS 106 -11.985 9.690 15.534 810 3HZ LYS 106 3HZ LYS 106 -12.949 8.326 15.273 811 H ILE 107 H ILE 107 -8.845 10.937 8.711 812 HA ILE 107 HA ILE 107 -8.044 8.313 8.200 813 HB ILE 107 HB ILE 107 -7.603 10.604 6.290 814 1HG1 ILE 107 1HG1 ILE 107 -9.871 10.792 7.079 815 2HG1 ILE 107 2HG1 ILE 107 -9.901 10.115 5.461 816 1HG2 ILE 107 1HG2 ILE 107 -7.931 8.931 4.571 817 2HG2 ILE 107 2HG2 ILE 107 -8.235 7.698 5.795 818 3HG2 ILE 107 3HG2 ILE 107 -6.638 8.434 5.662 819 1HD1 ILE 107 1HD1 ILE 107 -11.370 9.143 7.420 820 2HD1 ILE 107 2HD1 ILE 107 -9.901 8.229 7.745 821 3HD1 ILE 107 3HD1 ILE 107 -10.683 8.108 6.170 822 H LEU 108 H LEU 108 -6.126 11.310 8.106 823 HA LEU 108 HA LEU 108 -3.712 10.222 7.271 824 1HB LEU 108 1HB LEU 108 -4.488 12.615 8.855 825 2HB LEU 108 2HB LEU 108 -2.797 12.150 8.864 826 HG LEU 108 HG LEU 108 -4.436 12.826 6.420 827 1HD1 LEU 108 1HD1 LEU 108 -2.272 14.534 6.592 828 2HD1 LEU 108 2HD1 LEU 108 -2.841 14.407 8.256 829 3HD1 LEU 108 3HD1 LEU 108 -3.947 14.921 6.983 830 1HD2 LEU 108 1HD2 LEU 108 -2.340 12.644 5.189 831 2HD2 LEU 108 2HD2 LEU 108 -2.762 11.107 5.939 832 3HD2 LEU 108 3HD2 LEU 108 -1.511 12.123 6.655 833 H THR 109 H THR 109 -4.907 10.666 10.591 834 HA THR 109 HA THR 109 -2.746 9.727 12.012 835 HB THR 109 HB THR 109 -5.335 8.768 13.027 836 HG1 THR 109 HG1 THR 109 -6.284 10.460 12.135 837 1HG2 THR 109 1HG2 THR 109 -4.439 9.268 14.985 838 2HG2 THR 109 2HG2 THR 109 -4.102 10.925 14.484 839 3HG2 THR 109 3HG2 THR 109 -2.946 9.644 14.126 840 H ILE 110 H ILE 110 -5.358 7.829 10.536 841 HA ILE 110 HA ILE 110 -4.473 5.324 11.509 842 HB ILE 110 HB ILE 110 -6.015 5.730 8.951 843 1HG1 ILE 110 1HG1 ILE 110 -7.175 5.454 11.730 844 2HG1 ILE 110 2HG1 ILE 110 -7.002 6.997 10.902 845 1HG2 ILE 110 1HG2 ILE 110 -5.406 3.484 9.132 846 2HG2 ILE 110 2HG2 ILE 110 -7.038 3.536 9.799 847 3HG2 ILE 110 3HG2 ILE 110 -5.646 3.465 10.879 848 1HD1 ILE 110 1HD1 ILE 110 -8.927 4.813 10.464 849 2HD1 ILE 110 2HD1 ILE 110 -8.331 5.637 9.022 850 3HD1 ILE 110 3HD1 ILE 110 -9.124 6.559 10.300 851 H LEU 111 H LEU 111 -3.851 7.058 8.477 852 HA LEU 111 HA LEU 111 -2.353 4.981 7.271 853 1HB LEU 111 1HB LEU 111 -1.945 7.902 6.701 854 2HB LEU 111 2HB LEU 111 -1.744 6.544 5.612 855 HG LEU 111 HG LEU 111 -4.476 6.936 6.666 856 1HD1 LEU 111 1HD1 LEU 111 -3.077 9.171 5.678 857 2HD1 LEU 111 2HD1 LEU 111 -4.805 9.023 5.996 858 3HD1 LEU 111 3HD1 LEU 111 -4.166 8.646 4.396 859 1HD2 LEU 111 1HD2 LEU 111 -5.103 5.991 4.683 860 2HD2 LEU 111 2HD2 LEU 111 -3.489 5.301 4.852 861 3HD2 LEU 111 3HD2 LEU 111 -3.749 6.687 3.795 862 H GLN 112 H GLN 112 -1.525 7.577 9.469 863 HA GLN 112 HA GLN 112 1.284 7.451 9.151 864 1HB GLN 112 1HB GLN 112 -0.309 8.324 11.569 865 2HB GLN 112 2HB GLN 112 1.390 8.669 11.277 866 1HG GLN 112 1HG GLN 112 0.194 9.630 9.010 867 2HG GLN 112 2HG GLN 112 -0.995 9.991 10.260 868 1HE2 GLN 112 1HE2 GLN 112 -0.066 11.007 12.261 869 2HE2 GLN 112 2HE2 GLN 112 1.134 12.228 12.030 870 H GLY 113 H GLY 113 -0.815 6.124 11.716 871 1HA GLY 113 1HA GLY 113 -0.567 3.872 12.505 872 2HA GLY 113 2HA GLY 113 1.126 3.935 12.036 Start of MODEL 15 1 1H MET 1 1H MET 1 8.373 -2.406 -33.842 2 2H MET 1 2H MET 1 8.389 -1.722 -35.414 3 3H MET 1 3H MET 1 9.328 -1.020 -34.163 4 HA MET 1 HA MET 1 10.169 -2.795 -36.006 5 1HB MET 1 1HB MET 1 11.274 -2.173 -33.257 6 2HB MET 1 2HB MET 1 12.194 -2.874 -34.581 7 1HG MET 1 1HG MET 1 11.914 -0.865 -35.893 8 2HG MET 1 2HG MET 1 10.887 -0.162 -34.645 9 1HE MET 1 1HE MET 1 11.645 1.682 -34.085 10 2HE MET 1 2HE MET 1 13.316 2.235 -34.208 11 3HE MET 1 3HE MET 1 12.663 1.741 -32.647 12 H GLY 2 H GLY 2 7.902 -4.075 -34.760 13 1HA GLY 2 1HA GLY 2 7.300 -6.246 -34.281 14 2HA GLY 2 2HA GLY 2 8.990 -6.699 -34.451 15 H SER 3 H SER 3 10.255 -6.930 -32.646 16 HA SER 3 HA SER 3 8.917 -7.302 -30.155 17 1HB SER 3 1HB SER 3 11.163 -7.864 -29.291 18 2HB SER 3 2HB SER 3 10.820 -8.706 -30.803 19 HG SER 3 HG SER 3 12.741 -7.889 -31.245 20 H SER 4 H SER 4 8.539 -5.858 -28.609 21 HA SER 4 HA SER 4 9.817 -3.234 -28.800 22 1HB SER 4 1HB SER 4 7.641 -3.849 -26.829 23 2HB SER 4 2HB SER 4 8.002 -2.337 -27.663 24 HG SER 4 HG SER 4 7.001 -4.669 -28.932 25 H HIS 5 H HIS 5 11.843 -3.814 -27.972 26 HA HIS 5 HA HIS 5 12.210 -5.084 -25.469 27 1HB HIS 5 1HB HIS 5 13.885 -3.782 -27.499 28 2HB HIS 5 2HB HIS 5 14.517 -3.658 -25.862 29 HD1 HIS 5 HD1 HIS 5 15.179 -5.577 -28.596 30 HD2 HIS 5 HD2 HIS 5 13.991 -6.608 -24.722 31 HE1 HIS 5 HE1 HIS 5 15.894 -7.986 -28.256 32 HE2 HIS 5 HE2 HIS 5 15.084 -8.605 -25.951 33 H HIS 6 H HIS 6 13.978 -3.562 -24.056 34 HA HIS 6 HA HIS 6 12.344 -1.265 -23.200 35 1HB HIS 6 1HB HIS 6 13.490 -1.723 -20.920 36 2HB HIS 6 2HB HIS 6 12.158 -2.759 -21.419 37 HD1 HIS 6 HD1 HIS 6 12.987 -4.680 -19.910 38 HD2 HIS 6 HD2 HIS 6 15.698 -3.501 -22.864 39 HE1 HIS 6 HE1 HIS 6 14.762 -6.489 -20.001 40 HE2 HIS 6 HE2 HIS 6 16.279 -5.828 -21.900 41 H HIS 7 H HIS 7 14.344 -1.034 -25.165 42 HA HIS 7 HA HIS 7 16.852 -0.252 -24.168 43 1HB HIS 7 1HB HIS 7 15.364 0.075 -26.706 44 2HB HIS 7 2HB HIS 7 16.647 1.244 -26.411 45 HD1 HIS 7 HD1 HIS 7 16.063 -2.462 -26.849 46 HD2 HIS 7 HD2 HIS 7 19.213 0.283 -26.735 47 HE1 HIS 7 HE1 HIS 7 18.131 -3.730 -27.589 48 HE2 HIS 7 HE2 HIS 7 20.022 -2.074 -27.431 49 H HIS 8 H HIS 8 17.629 2.129 -24.640 50 HA HIS 8 HA HIS 8 15.965 3.835 -22.951 51 1HB HIS 8 1HB HIS 8 18.479 3.414 -22.575 52 2HB HIS 8 2HB HIS 8 18.733 4.504 -23.932 53 HD1 HIS 8 HD1 HIS 8 16.150 6.292 -22.907 54 HD2 HIS 8 HD2 HIS 8 19.676 5.340 -20.872 55 HE1 HIS 8 HE1 HIS 8 16.443 8.077 -21.131 56 HE2 HIS 8 HE2 HIS 8 18.522 7.425 -19.865 57 H HIS 9 H HIS 9 18.074 4.544 -25.744 58 HA HIS 9 HA HIS 9 17.812 5.910 -27.537 59 1HB HIS 9 1HB HIS 9 15.228 4.602 -27.166 60 2HB HIS 9 2HB HIS 9 15.090 6.153 -27.987 61 HD1 HIS 9 HD1 HIS 9 15.870 2.647 -28.552 62 HD2 HIS 9 HD2 HIS 9 16.790 6.290 -30.387 63 HE1 HIS 9 HE1 HIS 9 16.681 2.076 -30.887 64 HE2 HIS 9 HE2 HIS 9 17.293 4.283 -31.940 65 H HIS 10 H HIS 10 14.697 6.840 -26.141 66 HA HIS 10 HA HIS 10 15.790 9.544 -25.735 67 1HB HIS 10 1HB HIS 10 12.858 8.965 -26.048 68 2HB HIS 10 2HB HIS 10 13.724 10.469 -26.338 69 HD1 HIS 10 HD1 HIS 10 14.774 10.834 -28.635 70 HD2 HIS 10 HD2 HIS 10 13.006 7.076 -28.157 71 HE1 HIS 10 HE1 HIS 10 14.678 9.800 -30.949 72 HE2 HIS 10 HE2 HIS 10 13.558 7.565 -30.636 73 H HIS 11 H HIS 11 14.211 10.793 -24.126 74 HA HIS 11 HA HIS 11 14.690 9.778 -21.578 75 1HB HIS 11 1HB HIS 11 13.161 11.540 -20.774 76 2HB HIS 11 2HB HIS 11 14.294 12.149 -21.976 77 HD1 HIS 11 HD1 HIS 11 10.659 11.258 -21.509 78 HD2 HIS 11 HD2 HIS 11 13.144 13.153 -24.286 79 HE1 HIS 11 HE1 HIS 11 9.120 12.362 -23.195 80 HE2 HIS 11 HE2 HIS 11 10.645 13.424 -24.897 81 H HIS 12 H HIS 12 11.761 9.637 -23.563 82 HA HIS 12 HA HIS 12 9.914 8.311 -23.462 83 1HB HIS 12 1HB HIS 12 12.007 6.663 -22.751 84 2HB HIS 12 2HB HIS 12 10.884 6.453 -21.411 85 HD1 HIS 12 HD1 HIS 12 11.389 5.676 -25.012 86 HD2 HIS 12 HD2 HIS 12 8.402 5.266 -22.116 87 HE1 HIS 12 HE1 HIS 12 9.687 4.063 -25.978 88 HE2 HIS 12 HE2 HIS 12 7.851 3.924 -24.258 89 H GLU 13 H GLU 13 8.368 7.218 -21.739 90 HA GLU 13 HA GLU 13 7.758 9.312 -19.845 91 1HB GLU 13 1HB GLU 13 6.252 7.510 -21.331 92 2HB GLU 13 2HB GLU 13 6.090 6.927 -19.681 93 1HG GLU 13 1HG GLU 13 4.739 8.597 -19.113 94 2HG GLU 13 2HG GLU 13 5.772 9.805 -19.878 95 H ASN 14 H ASN 14 9.881 8.756 -18.720 96 HA ASN 14 HA ASN 14 10.325 6.449 -17.263 97 1HB ASN 14 1HB ASN 14 11.478 9.010 -17.432 98 2HB ASN 14 2HB ASN 14 11.136 8.754 -15.724 99 1HD2 ASN 14 1HD2 ASN 14 11.973 6.799 -14.744 100 2HD2 ASN 14 2HD2 ASN 14 13.453 6.128 -15.330 101 H LEU 15 H LEU 15 9.113 9.461 -15.791 102 HA LEU 15 HA LEU 15 7.674 9.852 -14.078 103 1HB LEU 15 1HB LEU 15 6.593 7.308 -15.219 104 2HB LEU 15 2HB LEU 15 5.922 7.935 -13.726 105 HG LEU 15 HG LEU 15 5.989 9.378 -16.376 106 1HD1 LEU 15 1HD1 LEU 15 3.536 9.136 -16.254 107 2HD1 LEU 15 2HD1 LEU 15 3.733 8.117 -14.827 108 3HD1 LEU 15 3HD1 LEU 15 4.373 7.589 -16.384 109 1HD2 LEU 15 1HD2 LEU 15 5.508 10.284 -13.633 110 2HD2 LEU 15 2HD2 LEU 15 4.241 10.723 -14.778 111 3HD2 LEU 15 3HD2 LEU 15 5.910 11.206 -15.082 112 H TYR 16 H TYR 16 7.846 9.719 -11.917 113 HA TYR 16 HA TYR 16 9.748 7.976 -10.762 114 1HB TYR 16 1HB TYR 16 8.700 10.350 -10.020 115 2HB TYR 16 2HB TYR 16 7.774 9.279 -8.976 116 HD1 TYR 16 HD1 TYR 16 9.938 7.191 -8.536 117 HD2 TYR 16 HD2 TYR 16 10.024 11.441 -8.394 118 HE1 TYR 16 HE1 TYR 16 11.826 7.094 -6.963 119 HE2 TYR 16 HE2 TYR 16 11.912 11.356 -6.821 120 HH TYR 16 HH TYR 16 13.693 8.540 -6.236 121 H PHE 17 H PHE 17 9.526 5.950 -10.108 122 HA PHE 17 HA PHE 17 7.354 4.965 -8.628 123 1HB PHE 17 1HB PHE 17 6.647 5.143 -11.256 124 2HB PHE 17 2HB PHE 17 7.285 3.503 -11.188 125 HD1 PHE 17 HD1 PHE 17 6.083 1.763 -10.138 126 HD2 PHE 17 HD2 PHE 17 4.755 5.791 -9.782 127 HE1 PHE 17 HE1 PHE 17 3.956 0.972 -9.188 128 HE2 PHE 17 HE2 PHE 17 2.626 5.008 -8.831 129 HZ PHE 17 HZ PHE 17 2.223 2.596 -8.532 130 H GLN 18 H GLN 18 7.591 2.709 -8.069 131 HA GLN 18 HA GLN 18 10.317 1.719 -8.584 132 1HB GLN 18 1HB GLN 18 8.548 1.302 -6.168 133 2HB GLN 18 2HB GLN 18 10.122 0.552 -6.399 134 1HG GLN 18 1HG GLN 18 10.674 3.207 -6.764 135 2HG GLN 18 2HG GLN 18 9.433 3.239 -5.512 136 1HE2 GLN 18 1HE2 GLN 18 12.677 3.009 -6.083 137 2HE2 GLN 18 2HE2 GLN 18 13.180 2.320 -4.580 138 H GLY 19 H GLY 19 7.095 0.487 -7.662 139 1HA GLY 19 1HA GLY 19 6.869 -1.287 -9.834 140 2HA GLY 19 2HA GLY 19 7.549 -2.161 -8.471 141 H SER 20 H SER 20 6.287 -1.587 -6.329 142 HA SER 20 HA SER 20 3.558 -0.977 -6.447 143 1HB SER 20 1HB SER 20 2.451 -3.038 -6.485 144 2HB SER 20 2HB SER 20 3.691 -3.230 -7.720 145 HG SER 20 HG SER 20 4.614 -3.995 -5.287 146 H LYS 21 H LYS 21 2.700 -0.759 -4.431 147 HA LYS 21 HA LYS 21 4.243 -1.850 -2.181 148 1HB LYS 21 1HB LYS 21 4.773 0.573 -2.652 149 2HB LYS 21 2HB LYS 21 3.108 0.940 -2.242 150 1HG LYS 21 1HG LYS 21 3.694 1.106 -0.125 151 2HG LYS 21 2HG LYS 21 4.117 -0.605 -0.126 152 1HD LYS 21 1HD LYS 21 6.374 0.007 -0.952 153 2HD LYS 21 2HD LYS 21 5.928 1.708 -0.811 154 1HE LYS 21 1HE LYS 21 5.596 1.458 1.573 155 2HE LYS 21 2HE LYS 21 5.925 -0.271 1.463 156 1HZ LYS 21 1HZ LYS 21 7.893 1.811 0.702 157 2HZ LYS 21 2HZ LYS 21 8.171 0.155 0.899 158 3HZ LYS 21 3HZ LYS 21 7.822 1.117 2.244 159 H ARG 22 H ARG 22 1.361 0.244 -2.446 160 HA ARG 22 HA ARG 22 -0.144 -1.835 -1.000 161 1HB ARG 22 1HB ARG 22 -0.640 1.140 -0.839 162 2HB ARG 22 2HB ARG 22 -1.386 -0.121 0.132 163 1HG ARG 22 1HG ARG 22 0.203 0.094 1.650 164 2HG ARG 22 2HG ARG 22 1.424 -0.333 0.450 165 1HD ARG 22 1HD ARG 22 2.225 1.729 0.734 166 2HD ARG 22 2HD ARG 22 0.812 2.291 -0.153 167 HE ARG 22 HE ARG 22 0.131 3.274 1.772 168 1HH1 ARG 22 1HH1 ARG 22 2.110 0.527 2.622 169 2HH1 ARG 22 2HH1 ARG 22 1.991 0.812 4.325 170 1HH2 ARG 22 1HH2 ARG 22 -0.012 3.659 4.010 171 2HH2 ARG 22 2HH2 ARG 22 0.792 2.593 5.113 172 H LYS 23 H LYS 23 -2.316 -2.150 -1.557 173 HA LYS 23 HA LYS 23 -3.160 -0.894 -4.085 174 1HB LYS 23 1HB LYS 23 -3.368 -3.784 -3.246 175 2HB LYS 23 2HB LYS 23 -4.260 -3.113 -4.603 176 1HG LYS 23 1HG LYS 23 -1.639 -2.354 -5.075 177 2HG LYS 23 2HG LYS 23 -1.506 -3.989 -4.428 178 1HD LYS 23 1HD LYS 23 -3.502 -3.371 -6.571 179 2HD LYS 23 2HD LYS 23 -1.808 -3.645 -6.984 180 1HE LYS 23 1HE LYS 23 -3.159 -5.606 -5.201 181 2HE LYS 23 2HE LYS 23 -3.570 -5.621 -6.916 182 1HZ LYS 23 1HZ LYS 23 -0.754 -5.663 -6.028 183 2HZ LYS 23 2HZ LYS 23 -1.403 -6.157 -7.509 184 3HZ LYS 23 3HZ LYS 23 -1.657 -7.090 -6.123 185 H ILE 24 H ILE 24 -4.754 0.472 -3.449 186 HA ILE 24 HA ILE 24 -6.708 -0.474 -1.473 187 HB ILE 24 HB ILE 24 -6.804 2.318 -2.499 188 1HG1 ILE 24 1HG1 ILE 24 -4.873 1.606 -0.297 189 2HG1 ILE 24 2HG1 ILE 24 -4.354 1.716 -1.977 190 1HG2 ILE 24 1HG2 ILE 24 -7.448 0.881 0.034 191 2HG2 ILE 24 2HG2 ILE 24 -8.465 1.931 -0.954 192 3HG2 ILE 24 3HG2 ILE 24 -7.192 2.625 0.051 193 1HD1 ILE 24 1HD1 ILE 24 -4.973 4.021 -2.082 194 2HD1 ILE 24 2HD1 ILE 24 -3.962 3.776 -0.659 195 3HD1 ILE 24 3HD1 ILE 24 -5.707 3.945 -0.481 196 H ILE 25 H ILE 25 -9.008 -0.303 -1.876 197 HA ILE 25 HA ILE 25 -9.665 0.068 -4.718 198 HB ILE 25 HB ILE 25 -11.118 -1.860 -2.916 199 1HG1 ILE 25 1HG1 ILE 25 -8.776 -2.288 -4.740 200 2HG1 ILE 25 2HG1 ILE 25 -9.085 -2.972 -3.152 201 1HG2 ILE 25 1HG2 ILE 25 -11.710 -2.623 -5.412 202 2HG2 ILE 25 2HG2 ILE 25 -11.426 -0.909 -5.692 203 3HG2 ILE 25 3HG2 ILE 25 -12.641 -1.423 -4.523 204 1HD1 ILE 25 1HD1 ILE 25 -9.233 -4.671 -4.875 205 2HD1 ILE 25 2HD1 ILE 25 -10.472 -3.738 -5.711 206 3HD1 ILE 25 3HD1 ILE 25 -10.806 -4.418 -4.121 207 H VAL 26 H VAL 26 -11.592 1.095 -5.201 208 HA VAL 26 HA VAL 26 -12.988 2.295 -2.885 209 HB VAL 26 HB VAL 26 -12.471 3.619 -5.555 210 1HG1 VAL 26 1HG1 VAL 26 -14.149 4.342 -3.208 211 2HG1 VAL 26 2HG1 VAL 26 -14.441 4.595 -4.929 212 3HG1 VAL 26 3HG1 VAL 26 -13.305 5.632 -4.065 213 1HG2 VAL 26 1HG2 VAL 26 -10.443 3.907 -4.583 214 2HG2 VAL 26 2HG2 VAL 26 -11.074 3.717 -2.948 215 3HG2 VAL 26 3HG2 VAL 26 -11.289 5.243 -3.804 216 H ALA 27 H ALA 27 -15.029 1.560 -2.769 217 HA ALA 27 HA ALA 27 -16.371 0.889 -5.298 218 1HB ALA 27 1HB ALA 27 -16.073 -0.610 -2.864 219 2HB ALA 27 2HB ALA 27 -16.692 -1.119 -4.432 220 3HB ALA 27 3HB ALA 27 -17.778 -0.382 -3.256 221 H CYS 28 H CYS 28 -18.007 2.074 -5.882 222 HA CYS 28 HA CYS 28 -19.803 3.216 -3.881 223 1HB CYS 28 1HB CYS 28 -18.097 4.824 -5.756 224 2HB CYS 28 2HB CYS 28 -19.654 5.444 -5.217 225 HG CYS 28 HG CYS 28 -18.545 5.045 -2.710 226 H GLY 29 H GLY 29 -21.549 4.600 -5.161 227 1HA GLY 29 1HA GLY 29 -22.802 2.729 -6.955 228 2HA GLY 29 2HA GLY 29 -23.472 4.254 -6.399 229 H GLY 30 H GLY 30 -21.526 2.683 -8.828 230 1HA GLY 30 1HA GLY 30 -21.055 3.294 -10.993 231 2HA GLY 30 2HA GLY 30 -22.268 4.552 -10.817 232 H ALA 31 H ALA 31 -21.362 6.373 -11.530 233 HA ALA 31 HA ALA 31 -19.278 7.612 -10.065 234 1HB ALA 31 1HB ALA 31 -17.639 6.396 -11.121 235 2HB ALA 31 2HB ALA 31 -17.774 7.780 -12.206 236 3HB ALA 31 3HB ALA 31 -18.557 6.255 -12.620 237 H VAL 32 H VAL 32 -20.332 9.509 -9.983 238 HA VAL 32 HA VAL 32 -20.907 10.841 -12.539 239 HB VAL 32 HB VAL 32 -22.671 11.256 -10.139 240 1HG1 VAL 32 1HG1 VAL 32 -22.696 12.947 -11.915 241 2HG1 VAL 32 2HG1 VAL 32 -24.241 12.108 -11.785 242 3HG1 VAL 32 3HG1 VAL 32 -23.124 11.700 -13.087 243 1HG2 VAL 32 1HG2 VAL 32 -22.520 8.809 -11.310 244 2HG2 VAL 32 2HG2 VAL 32 -23.760 9.582 -12.292 245 3HG2 VAL 32 3HG2 VAL 32 -23.965 9.464 -10.545 246 H ALA 33 H ALA 33 -21.114 11.682 -9.075 247 HA ALA 33 HA ALA 33 -19.039 13.710 -9.465 248 1HB ALA 33 1HB ALA 33 -21.687 14.414 -9.538 249 2HB ALA 33 2HB ALA 33 -20.348 15.493 -9.146 250 3HB ALA 33 3HB ALA 33 -21.256 14.707 -7.854 251 H THR 34 H THR 34 -18.561 11.399 -8.165 252 HA THR 34 HA THR 34 -17.968 12.315 -5.501 253 HB THR 34 HB THR 34 -19.804 9.945 -5.905 254 HG1 THR 34 HG1 THR 34 -21.258 11.399 -5.589 255 1HG2 THR 34 1HG2 THR 34 -19.541 9.265 -3.783 256 2HG2 THR 34 2HG2 THR 34 -19.247 10.896 -3.179 257 3HG2 THR 34 3HG2 THR 34 -17.948 9.999 -3.964 258 H SER 35 H SER 35 -17.952 9.664 -7.840 259 HA SER 35 HA SER 35 -15.957 8.127 -6.579 260 1HB SER 35 1HB SER 35 -16.628 8.236 -9.527 261 2HB SER 35 2HB SER 35 -15.770 6.939 -8.695 262 HG SER 35 HG SER 35 -17.936 6.390 -8.919 263 H THR 36 H THR 36 -15.747 10.569 -9.168 264 HA THR 36 HA THR 36 -12.906 10.349 -9.388 265 HB THR 36 HB THR 36 -14.457 12.778 -10.247 266 HG1 THR 36 HG1 THR 36 -15.653 10.996 -10.971 267 1HG2 THR 36 1HG2 THR 36 -12.349 11.328 -11.794 268 2HG2 THR 36 2HG2 THR 36 -11.934 12.530 -10.571 269 3HG2 THR 36 3HG2 THR 36 -12.910 12.991 -11.966 270 H MET 37 H MET 37 -15.122 12.337 -7.540 271 HA MET 37 HA MET 37 -13.337 14.320 -6.688 272 1HB MET 37 1HB MET 37 -16.002 13.550 -6.138 273 2HB MET 37 2HB MET 37 -15.177 13.647 -4.588 274 1HG MET 37 1HG MET 37 -16.158 15.762 -5.038 275 2HG MET 37 2HG MET 37 -14.411 15.925 -5.206 276 1HE MET 37 1HE MET 37 -17.252 17.700 -7.794 277 2HE MET 37 2HE MET 37 -15.962 18.436 -6.844 278 3HE MET 37 3HE MET 37 -17.138 17.377 -6.064 279 H ALA 38 H ALA 38 -14.324 11.315 -5.050 280 HA ALA 38 HA ALA 38 -12.517 11.530 -2.911 281 1HB ALA 38 1HB ALA 38 -13.915 9.890 -2.304 282 2HB ALA 38 2HB ALA 38 -12.864 8.820 -3.231 283 3HB ALA 38 3HB ALA 38 -14.314 9.493 -3.976 284 H ALA 39 H ALA 39 -12.321 9.552 -5.864 285 HA ALA 39 HA ALA 39 -9.871 8.406 -5.622 286 1HB ALA 39 1HB ALA 39 -10.811 7.743 -7.568 287 2HB ALA 39 2HB ALA 39 -9.772 9.002 -8.237 288 3HB ALA 39 3HB ALA 39 -11.472 9.341 -7.917 289 H GLU 40 H GLU 40 -10.426 11.638 -7.050 290 HA GLU 40 HA GLU 40 -7.722 12.267 -7.438 291 1HB GLU 40 1HB GLU 40 -10.236 13.868 -7.216 292 2HB GLU 40 2HB GLU 40 -8.693 14.709 -7.196 293 1HG GLU 40 1HG GLU 40 -9.290 12.732 -9.351 294 2HG GLU 40 2HG GLU 40 -9.951 14.364 -9.434 295 H GLU 41 H GLU 41 -9.834 12.694 -4.650 296 HA GLU 41 HA GLU 41 -8.046 14.284 -3.128 297 1HB GLU 41 1HB GLU 41 -10.494 12.678 -2.506 298 2HB GLU 41 2HB GLU 41 -9.510 13.299 -1.189 299 1HG GLU 41 1HG GLU 41 -10.546 15.067 -3.377 300 2HG GLU 41 2HG GLU 41 -11.486 14.702 -1.931 301 H ILE 42 H ILE 42 -8.797 10.799 -3.037 302 HA ILE 42 HA ILE 42 -6.926 10.181 -1.013 303 HB ILE 42 HB ILE 42 -7.719 8.219 -3.137 304 1HG1 ILE 42 1HG1 ILE 42 -9.847 9.057 -2.641 305 2HG1 ILE 42 2HG1 ILE 42 -9.681 7.699 -1.539 306 1HG2 ILE 42 1HG2 ILE 42 -7.676 7.522 -0.276 307 2HG2 ILE 42 2HG2 ILE 42 -6.122 7.929 -1.003 308 3HG2 ILE 42 3HG2 ILE 42 -7.095 6.621 -1.677 309 1HD1 ILE 42 1HD1 ILE 42 -9.526 10.626 -0.926 310 2HD1 ILE 42 2HD1 ILE 42 -8.932 9.400 0.193 311 3HD1 ILE 42 3HD1 ILE 42 -10.631 9.417 -0.277 312 H LYS 43 H LYS 43 -6.680 10.380 -4.514 313 HA LYS 43 HA LYS 43 -4.089 9.183 -4.678 314 1HB LYS 43 1HB LYS 43 -5.834 10.718 -6.570 315 2HB LYS 43 2HB LYS 43 -4.151 10.423 -6.984 316 1HG LYS 43 1HG LYS 43 -4.819 7.938 -6.353 317 2HG LYS 43 2HG LYS 43 -6.422 8.530 -6.792 318 1HD LYS 43 1HD LYS 43 -3.955 8.670 -8.525 319 2HD LYS 43 2HD LYS 43 -5.277 7.517 -8.708 320 1HE LYS 43 1HE LYS 43 -6.825 9.418 -9.069 321 2HE LYS 43 2HE LYS 43 -5.447 10.515 -8.993 322 1HZ LYS 43 1HZ LYS 43 -6.001 10.028 -11.273 323 2HZ LYS 43 2HZ LYS 43 -5.867 8.364 -10.999 324 3HZ LYS 43 3HZ LYS 43 -4.494 9.349 -10.909 325 H GLU 44 H GLU 44 -5.227 12.551 -4.949 326 HA GLU 44 HA GLU 44 -2.799 13.817 -5.274 327 1HB GLU 44 1HB GLU 44 -3.846 15.820 -4.419 328 2HB GLU 44 2HB GLU 44 -5.015 14.932 -5.387 329 1HG GLU 44 1HG GLU 44 -6.149 14.157 -3.452 330 2HG GLU 44 2HG GLU 44 -4.874 14.749 -2.391 331 H LEU 45 H LEU 45 -4.264 12.581 -2.336 332 HA LEU 45 HA LEU 45 -2.366 13.790 -0.575 333 1HB LEU 45 1HB LEU 45 -4.806 12.556 -0.276 334 2HB LEU 45 2HB LEU 45 -3.695 11.383 0.407 335 HG LEU 45 HG LEU 45 -2.780 13.588 1.628 336 1HD1 LEU 45 1HD1 LEU 45 -4.148 15.297 1.098 337 2HD1 LEU 45 2HD1 LEU 45 -5.157 14.601 2.365 338 3HD1 LEU 45 3HD1 LEU 45 -5.491 14.237 0.672 339 1HD2 LEU 45 1HD2 LEU 45 -3.991 11.305 2.389 340 2HD2 LEU 45 2HD2 LEU 45 -5.190 12.489 2.909 341 3HD2 LEU 45 3HD2 LEU 45 -3.530 12.597 3.492 342 H CYS 46 H CYS 46 -2.771 10.546 -1.949 343 HA CYS 46 HA CYS 46 -0.748 9.208 -0.632 344 1HB CYS 46 1HB CYS 46 -1.802 8.940 -3.444 345 2HB CYS 46 2HB CYS 46 -0.577 7.852 -2.800 346 HG CYS 46 HG CYS 46 -2.638 6.595 -2.200 347 H GLN 47 H GLN 47 -0.530 11.241 -3.521 348 HA GLN 47 HA GLN 47 2.293 10.841 -3.836 349 1HB GLN 47 1HB GLN 47 0.248 12.620 -5.116 350 2HB GLN 47 2HB GLN 47 1.959 12.911 -5.393 351 1HG GLN 47 1HG GLN 47 1.498 10.152 -5.788 352 2HG GLN 47 2HG GLN 47 0.235 11.032 -6.647 353 1HE2 GLN 47 1HE2 GLN 47 0.913 10.746 -8.698 354 2HE2 GLN 47 2HE2 GLN 47 2.418 11.325 -9.317 355 H SER 48 H SER 48 0.252 13.104 -2.162 356 HA SER 48 HA SER 48 1.959 15.269 -1.837 357 1HB SER 48 1HB SER 48 -0.508 14.430 -0.757 358 2HB SER 48 2HB SER 48 0.535 14.780 0.621 359 HG SER 48 HG SER 48 -0.144 16.499 -1.524 360 H HIS 49 H HIS 49 1.707 12.319 0.115 361 HA HIS 49 HA HIS 49 4.076 13.116 1.641 362 1HB HIS 49 1HB HIS 49 1.891 11.119 2.050 363 2HB HIS 49 2HB HIS 49 3.439 10.862 2.846 364 HD1 HIS 49 HD1 HIS 49 2.986 14.400 2.684 365 HD2 HIS 49 HD2 HIS 49 1.467 11.338 5.092 366 HE1 HIS 49 HE1 HIS 49 2.110 15.521 4.784 367 HE2 HIS 49 HE2 HIS 49 1.247 13.650 6.233 368 H ASN 50 H ASN 50 3.692 11.765 -1.230 369 HA ASN 50 HA ASN 50 4.875 10.350 -2.554 370 1HB ASN 50 1HB ASN 50 6.776 11.404 -0.597 371 2HB ASN 50 2HB ASN 50 7.274 9.854 -1.268 372 1HD2 ASN 50 1HD2 ASN 50 8.982 10.743 -2.399 373 2HD2 ASN 50 2HD2 ASN 50 8.756 11.724 -3.803 374 H ILE 51 H ILE 51 3.063 8.913 -1.416 375 HA ILE 51 HA ILE 51 4.416 6.573 -0.236 376 HB ILE 51 HB ILE 51 1.462 7.121 -0.045 377 1HG1 ILE 51 1HG1 ILE 51 3.108 7.572 2.358 378 2HG1 ILE 51 2HG1 ILE 51 3.323 8.770 1.088 379 1HG2 ILE 51 1HG2 ILE 51 2.604 4.814 0.339 380 2HG2 ILE 51 2HG2 ILE 51 1.380 5.387 1.472 381 3HG2 ILE 51 3HG2 ILE 51 3.090 5.522 1.880 382 1HD1 ILE 51 1HD1 ILE 51 1.550 9.180 2.897 383 2HD1 ILE 51 2HD1 ILE 51 0.587 8.002 2.005 384 3HD1 ILE 51 3HD1 ILE 51 1.126 9.482 1.212 385 HA PRO 52 HA PRO 52 3.532 4.969 -4.413 386 1HB PRO 52 1HB PRO 52 4.675 2.572 -3.055 387 2HB PRO 52 2HB PRO 52 5.064 3.260 -4.635 388 1HG PRO 52 1HG PRO 52 6.707 3.589 -2.564 389 2HG PRO 52 2HG PRO 52 6.437 4.899 -3.729 390 1HD PRO 52 1HD PRO 52 5.382 4.573 -0.959 391 2HD PRO 52 2HD PRO 52 5.856 6.050 -1.821 392 H VAL 53 H VAL 53 1.397 4.594 -4.692 393 HA VAL 53 HA VAL 53 0.248 2.152 -3.608 394 HB VAL 53 HB VAL 53 -1.253 4.746 -3.237 395 1HG1 VAL 53 1HG1 VAL 53 -2.869 3.135 -3.381 396 2HG1 VAL 53 2HG1 VAL 53 -2.529 3.097 -1.652 397 3HG1 VAL 53 3HG1 VAL 53 -1.830 1.878 -2.712 398 1HG2 VAL 53 1HG2 VAL 53 -0.755 3.581 -0.729 399 2HG2 VAL 53 2HG2 VAL 53 -0.152 5.117 -1.345 400 3HG2 VAL 53 3HG2 VAL 53 0.792 3.649 -1.560 401 H GLU 54 H GLU 54 -1.859 1.635 -4.625 402 HA GLU 54 HA GLU 54 -2.200 2.952 -7.240 403 1HB GLU 54 1HB GLU 54 -2.850 0.051 -6.822 404 2HB GLU 54 2HB GLU 54 -2.529 0.906 -8.322 405 1HG GLU 54 1HG GLU 54 -0.173 1.071 -7.741 406 2HG GLU 54 2HG GLU 54 -0.486 0.245 -6.213 407 H LEU 55 H LEU 55 -4.096 4.008 -7.245 408 HA LEU 55 HA LEU 55 -6.243 3.185 -5.483 409 1HB LEU 55 1HB LEU 55 -5.495 5.588 -5.926 410 2HB LEU 55 2HB LEU 55 -6.298 5.437 -7.476 411 HG LEU 55 HG LEU 55 -8.114 4.617 -5.424 412 1HD1 LEU 55 1HD1 LEU 55 -8.313 6.613 -4.122 413 2HD1 LEU 55 2HD1 LEU 55 -7.013 7.390 -5.025 414 3HD1 LEU 55 3HD1 LEU 55 -6.660 6.017 -3.974 415 1HD2 LEU 55 1HD2 LEU 55 -8.609 5.506 -7.710 416 2HD2 LEU 55 2HD2 LEU 55 -8.155 7.105 -7.121 417 3HD2 LEU 55 3HD2 LEU 55 -9.532 6.261 -6.410 418 H ILE 56 H ILE 56 -7.547 1.588 -6.147 419 HA ILE 56 HA ILE 56 -8.352 1.540 -8.981 420 HB ILE 56 HB ILE 56 -7.041 -0.433 -8.217 421 1HG1 ILE 56 1HG1 ILE 56 -9.806 -1.396 -8.810 422 2HG1 ILE 56 2HG1 ILE 56 -8.974 -0.385 -9.985 423 1HG2 ILE 56 1HG2 ILE 56 -7.455 -1.186 -6.165 424 2HG2 ILE 56 2HG2 ILE 56 -8.830 -2.019 -6.889 425 3HG2 ILE 56 3HG2 ILE 56 -9.054 -0.449 -6.125 426 1HD1 ILE 56 1HD1 ILE 56 -7.101 -2.030 -9.964 427 2HD1 ILE 56 2HD1 ILE 56 -8.628 -2.675 -10.567 428 3HD1 ILE 56 3HD1 ILE 56 -8.092 -3.061 -8.931 429 H GLN 57 H GLN 57 -10.566 1.103 -9.482 430 HA GLN 57 HA GLN 57 -12.386 1.679 -7.248 431 1HB GLN 57 1HB GLN 57 -12.128 2.805 -9.857 432 2HB GLN 57 2HB GLN 57 -13.677 1.978 -9.772 433 1HG GLN 57 1HG GLN 57 -14.557 3.527 -8.441 434 2HG GLN 57 2HG GLN 57 -13.125 3.589 -7.414 435 1HE2 GLN 57 1HE2 GLN 57 -11.283 4.822 -8.252 436 2HE2 GLN 57 2HE2 GLN 57 -11.596 6.240 -9.188 437 H CYS 58 H CYS 58 -14.331 0.477 -7.076 438 HA CYS 58 HA CYS 58 -14.830 -1.737 -8.848 439 1HB CYS 58 1HB CYS 58 -13.794 -2.152 -6.048 440 2HB CYS 58 2HB CYS 58 -14.752 -3.368 -6.875 441 HG CYS 58 HG CYS 58 -11.840 -2.631 -7.539 442 H ARG 59 H ARG 59 -16.767 -3.034 -8.001 443 HA ARG 59 HA ARG 59 -18.748 -1.158 -7.058 444 1HB ARG 59 1HB ARG 59 -18.843 -3.039 -8.977 445 2HB ARG 59 2HB ARG 59 -19.443 -3.989 -7.626 446 1HG ARG 59 1HG ARG 59 -21.020 -1.892 -7.310 447 2HG ARG 59 2HG ARG 59 -20.677 -1.681 -9.026 448 1HD ARG 59 1HD ARG 59 -21.229 -4.413 -8.674 449 2HD ARG 59 2HD ARG 59 -22.448 -3.545 -7.740 450 HE ARG 59 HE ARG 59 -22.182 -2.378 -10.297 451 1HH1 ARG 59 1HH1 ARG 59 -23.445 -5.235 -8.738 452 2HH1 ARG 59 2HH1 ARG 59 -24.667 -5.500 -9.936 453 1HH2 ARG 59 1HH2 ARG 59 -23.792 -2.728 -11.875 454 2HH2 ARG 59 2HH2 ARG 59 -24.863 -4.080 -11.715 455 H VAL 60 H VAL 60 -20.537 -2.844 -5.801 456 HA VAL 60 HA VAL 60 -19.437 -2.974 -3.170 457 HB VAL 60 HB VAL 60 -21.671 -3.914 -2.544 458 1HG1 VAL 60 1HG1 VAL 60 -22.023 -1.747 -2.201 459 2HG1 VAL 60 2HG1 VAL 60 -22.754 -1.677 -3.804 460 3HG1 VAL 60 3HG1 VAL 60 -21.043 -1.305 -3.599 461 1HG2 VAL 60 1HG2 VAL 60 -21.820 -4.296 -5.387 462 2HG2 VAL 60 2HG2 VAL 60 -23.163 -3.297 -4.834 463 3HG2 VAL 60 3HG2 VAL 60 -22.895 -4.888 -4.123 464 H ASN 61 H ASN 61 -19.563 -5.217 -5.749 465 HA ASN 61 HA ASN 61 -18.697 -7.338 -3.917 466 1HB ASN 61 1HB ASN 61 -21.079 -7.357 -5.622 467 2HB ASN 61 2HB ASN 61 -20.036 -8.753 -5.865 468 1HD2 ASN 61 1HD2 ASN 61 -20.320 -10.403 -4.563 469 2HD2 ASN 61 2HD2 ASN 61 -21.102 -10.361 -3.023 470 H GLU 62 H GLU 62 -16.723 -6.187 -4.952 471 HA GLU 62 HA GLU 62 -15.901 -7.846 -7.226 472 1HB GLU 62 1HB GLU 62 -15.402 -4.879 -7.019 473 2HB GLU 62 2HB GLU 62 -14.804 -5.932 -8.290 474 1HG GLU 62 1HG GLU 62 -17.718 -5.961 -7.877 475 2HG GLU 62 2HG GLU 62 -17.044 -4.456 -8.486 476 H ILE 63 H ILE 63 -14.954 -5.807 -4.501 477 HA ILE 63 HA ILE 63 -12.198 -6.145 -4.565 478 HB ILE 63 HB ILE 63 -13.901 -6.077 -2.068 479 1HG1 ILE 63 1HG1 ILE 63 -12.825 -3.555 -2.438 480 2HG1 ILE 63 2HG1 ILE 63 -13.263 -4.034 -4.074 481 1HG2 ILE 63 1HG2 ILE 63 -11.187 -4.919 -2.166 482 2HG2 ILE 63 2HG2 ILE 63 -11.315 -6.676 -2.138 483 3HG2 ILE 63 3HG2 ILE 63 -12.038 -5.719 -0.847 484 1HD1 ILE 63 1HD1 ILE 63 -15.406 -3.644 -3.680 485 2HD1 ILE 63 2HD1 ILE 63 -14.922 -2.936 -2.138 486 3HD1 ILE 63 3HD1 ILE 63 -15.384 -4.636 -2.222 487 H GLU 64 H GLU 64 -14.710 -8.273 -3.360 488 HA GLU 64 HA GLU 64 -13.018 -10.136 -2.077 489 1HB GLU 64 1HB GLU 64 -15.764 -10.523 -3.278 490 2HB GLU 64 2HB GLU 64 -14.961 -11.665 -2.208 491 1HG GLU 64 1HG GLU 64 -14.832 -9.386 -0.743 492 2HG GLU 64 2HG GLU 64 -16.355 -9.163 -1.600 493 H THR 65 H THR 65 -14.286 -9.922 -5.369 494 HA THR 65 HA THR 65 -13.109 -12.414 -6.189 495 HB THR 65 HB THR 65 -13.847 -11.740 -8.453 496 HG1 THR 65 HG1 THR 65 -13.837 -9.644 -8.695 497 1HG2 THR 65 1HG2 THR 65 -15.503 -12.832 -7.096 498 2HG2 THR 65 2HG2 THR 65 -16.262 -11.542 -8.030 499 3HG2 THR 65 3HG2 THR 65 -15.918 -11.307 -6.317 500 H TYR 66 H TYR 66 -12.345 -8.974 -6.603 501 HA TYR 66 HA TYR 66 -9.937 -9.589 -8.089 502 1HB TYR 66 1HB TYR 66 -11.018 -6.922 -7.165 503 2HB TYR 66 2HB TYR 66 -9.694 -7.169 -8.298 504 HD1 TYR 66 HD1 TYR 66 -12.425 -5.666 -8.623 505 HD2 TYR 66 HD2 TYR 66 -11.028 -9.505 -9.797 506 HE1 TYR 66 HE1 TYR 66 -14.034 -5.673 -10.481 507 HE2 TYR 66 HE2 TYR 66 -12.631 -9.526 -11.658 508 HH TYR 66 HH TYR 66 -15.090 -7.071 -12.001 509 H MET 67 H MET 67 -10.472 -10.099 -5.071 510 HA MET 67 HA MET 67 -8.680 -8.492 -3.601 511 1HB MET 67 1HB MET 67 -10.563 -10.365 -3.001 512 2HB MET 67 2HB MET 67 -9.084 -11.259 -2.683 513 1HG MET 67 1HG MET 67 -9.634 -8.544 -1.535 514 2HG MET 67 2HG MET 67 -10.091 -10.047 -0.735 515 1HE MET 67 1HE MET 67 -7.041 -11.687 0.428 516 2HE MET 67 2HE MET 67 -8.761 -11.727 0.040 517 3HE MET 67 3HE MET 67 -8.184 -10.741 1.383 518 H ASP 68 H ASP 68 -7.238 -9.110 -5.850 519 HA ASP 68 HA ASP 68 -5.588 -11.370 -5.653 520 1HB ASP 68 1HB ASP 68 -5.909 -9.164 -7.412 521 2HB ASP 68 2HB ASP 68 -4.204 -9.243 -6.978 522 H GLY 69 H GLY 69 -5.026 -7.989 -4.645 523 1HA GLY 69 1HA GLY 69 -3.396 -8.826 -2.452 524 2HA GLY 69 2HA GLY 69 -2.418 -8.201 -3.771 525 H VAL 70 H VAL 70 -5.479 -7.251 -2.186 526 HA VAL 70 HA VAL 70 -4.726 -4.463 -2.406 527 HB VAL 70 HB VAL 70 -6.941 -4.098 -1.184 528 1HG1 VAL 70 1HG1 VAL 70 -6.675 -5.277 -3.923 529 2HG1 VAL 70 2HG1 VAL 70 -6.883 -3.589 -3.457 530 3HG1 VAL 70 3HG1 VAL 70 -8.226 -4.720 -3.302 531 1HG2 VAL 70 1HG2 VAL 70 -6.807 -6.791 -0.737 532 2HG2 VAL 70 2HG2 VAL 70 -7.908 -6.698 -2.111 533 3HG2 VAL 70 3HG2 VAL 70 -8.272 -5.815 -0.628 534 H HIS 71 H HIS 71 -3.914 -3.227 -0.871 535 HA HIS 71 HA HIS 71 -3.273 -4.414 1.693 536 1HB HIS 71 1HB HIS 71 -1.760 -2.897 0.181 537 2HB HIS 71 2HB HIS 71 -2.633 -1.580 0.960 538 HD1 HIS 71 HD1 HIS 71 -1.002 -4.786 2.249 539 HD2 HIS 71 HD2 HIS 71 -1.160 -0.684 3.034 540 HE1 HIS 71 HE1 HIS 71 0.465 -4.401 4.280 541 HE2 HIS 71 HE2 HIS 71 0.280 -1.937 4.779 542 H LEU 72 H LEU 72 -5.521 -2.099 0.344 543 HA LEU 72 HA LEU 72 -6.879 -1.928 2.902 544 1HB LEU 72 1HB LEU 72 -5.887 0.538 1.468 545 2HB LEU 72 2HB LEU 72 -7.020 0.547 2.803 546 HG LEU 72 HG LEU 72 -4.379 -0.748 3.250 547 1HD1 LEU 72 1HD1 LEU 72 -3.406 1.114 2.363 548 2HD1 LEU 72 2HD1 LEU 72 -3.702 1.681 4.006 549 3HD1 LEU 72 3HD1 LEU 72 -4.799 2.142 2.705 550 1HD2 LEU 72 1HD2 LEU 72 -6.359 0.825 4.870 551 2HD2 LEU 72 2HD2 LEU 72 -4.745 0.440 5.465 552 3HD2 LEU 72 3HD2 LEU 72 -5.873 -0.857 5.068 553 H ILE 73 H ILE 73 -9.065 -1.217 2.710 554 HA ILE 73 HA ILE 73 -10.052 -0.790 -0.016 555 HB ILE 73 HB ILE 73 -12.062 -2.313 1.006 556 1HG1 ILE 73 1HG1 ILE 73 -10.374 -2.907 2.881 557 2HG1 ILE 73 2HG1 ILE 73 -11.281 -4.200 2.114 558 1HG2 ILE 73 1HG2 ILE 73 -11.093 -2.343 -1.246 559 2HG2 ILE 73 2HG2 ILE 73 -11.412 -3.947 -0.604 560 3HG2 ILE 73 3HG2 ILE 73 -9.764 -3.329 -0.641 561 1HD1 ILE 73 1HD1 ILE 73 -8.664 -3.582 0.916 562 2HD1 ILE 73 2HD1 ILE 73 -9.442 -5.135 1.209 563 3HD1 ILE 73 3HD1 ILE 73 -8.640 -4.288 2.531 564 H CYS 74 H CYS 74 -11.947 0.355 -0.217 565 HA CYS 74 HA CYS 74 -13.074 1.456 2.269 566 1HB CYS 74 1HB CYS 74 -12.193 2.892 -0.216 567 2HB CYS 74 2HB CYS 74 -13.451 3.571 0.811 568 HG CYS 74 HG CYS 74 -10.467 3.370 1.527 569 H THR 75 H THR 75 -15.036 0.503 2.382 570 HA THR 75 HA THR 75 -16.796 0.759 0.036 571 HB THR 75 HB THR 75 -17.871 -1.393 0.732 572 HG1 THR 75 HG1 THR 75 -17.311 -2.090 2.616 573 1HG2 THR 75 1HG2 THR 75 -16.421 -1.652 -1.089 574 2HG2 THR 75 2HG2 THR 75 -15.964 -2.910 0.059 575 3HG2 THR 75 3HG2 THR 75 -14.987 -1.448 -0.082 576 H THR 76 H THR 76 -18.880 1.402 0.457 577 HA THR 76 HA THR 76 -19.345 2.653 2.996 578 HB THR 76 HB THR 76 -21.732 2.866 1.742 579 HG1 THR 76 HG1 THR 76 -21.564 2.159 -0.210 580 1HG2 THR 76 1HG2 THR 76 -19.979 4.658 2.389 581 2HG2 THR 76 2HG2 THR 76 -21.157 5.002 1.122 582 3HG2 THR 76 3HG2 THR 76 -19.507 4.550 0.693 583 H ALA 77 H ALA 77 -19.149 0.582 4.188 584 HA ALA 77 HA ALA 77 -19.999 -1.223 5.295 585 1HB ALA 77 1HB ALA 77 -22.549 -0.820 5.843 586 2HB ALA 77 2HB ALA 77 -22.188 0.784 5.205 587 3HB ALA 77 3HB ALA 77 -21.282 0.158 6.581 588 H ARG 78 H ARG 78 -19.830 -2.934 3.900 589 HA ARG 78 HA ARG 78 -22.244 -3.563 2.336 590 1HB ARG 78 1HB ARG 78 -20.320 -3.052 0.894 591 2HB ARG 78 2HB ARG 78 -19.385 -4.305 1.698 592 1HG ARG 78 1HG ARG 78 -20.179 -5.141 -0.401 593 2HG ARG 78 2HG ARG 78 -21.019 -5.981 0.903 594 1HD ARG 78 1HD ARG 78 -22.283 -3.537 -0.214 595 2HD ARG 78 2HD ARG 78 -22.296 -4.995 -1.204 596 HE ARG 78 HE ARG 78 -23.184 -5.452 1.480 597 1HH1 ARG 78 1HH1 ARG 78 -24.164 -4.363 -1.688 598 2HH1 ARG 78 2HH1 ARG 78 -25.825 -4.794 -1.460 599 1HH2 ARG 78 1HH2 ARG 78 -25.368 -6.025 1.780 600 2HH2 ARG 78 2HH2 ARG 78 -26.508 -5.738 0.509 601 H VAL 79 H VAL 79 -19.522 -4.937 4.150 602 HA VAL 79 HA VAL 79 -20.874 -7.507 4.328 603 HB VAL 79 HB VAL 79 -18.830 -8.265 5.509 604 1HG1 VAL 79 1HG1 VAL 79 -17.629 -8.537 3.576 605 2HG1 VAL 79 2HG1 VAL 79 -17.868 -6.866 3.063 606 3HG1 VAL 79 3HG1 VAL 79 -19.185 -8.030 2.915 607 1HG2 VAL 79 1HG2 VAL 79 -17.590 -6.730 6.548 608 2HG2 VAL 79 2HG2 VAL 79 -18.353 -5.411 5.661 609 3HG2 VAL 79 3HG2 VAL 79 -16.981 -6.266 4.959 610 H ASP 80 H ASP 80 -20.222 -8.463 6.774 611 HA ASP 80 HA ASP 80 -21.806 -6.716 8.540 612 1HB ASP 80 1HB ASP 80 -21.721 -9.626 8.145 613 2HB ASP 80 2HB ASP 80 -21.716 -9.136 9.837 614 H ARG 81 H ARG 81 -18.755 -8.252 8.154 615 HA ARG 81 HA ARG 81 -17.698 -6.806 10.422 616 1HB ARG 81 1HB ARG 81 -16.624 -9.207 11.083 617 2HB ARG 81 2HB ARG 81 -18.047 -8.518 11.849 618 1HG ARG 81 1HG ARG 81 -19.396 -10.101 11.033 619 2HG ARG 81 2HG ARG 81 -18.650 -10.052 9.435 620 1HD ARG 81 1HD ARG 81 -17.494 -11.896 9.868 621 2HD ARG 81 2HD ARG 81 -16.816 -11.178 11.326 622 HE ARG 81 HE ARG 81 -18.751 -12.013 12.533 623 1HH1 ARG 81 1HH1 ARG 81 -18.181 -13.383 9.363 624 2HH1 ARG 81 2HH1 ARG 81 -19.072 -14.827 9.699 625 1HH2 ARG 81 1HH2 ARG 81 -19.924 -13.911 12.958 626 2HH2 ARG 81 2HH2 ARG 81 -20.060 -15.128 11.733 627 H SER 82 H SER 82 -16.197 -9.765 9.200 628 HA SER 82 HA SER 82 -14.617 -8.409 7.241 629 1HB SER 82 1HB SER 82 -13.426 -9.173 9.910 630 2HB SER 82 2HB SER 82 -12.441 -9.009 8.457 631 HG SER 82 HG SER 82 -12.853 -6.876 8.400 632 H PHE 83 H PHE 83 -14.883 -9.929 5.740 633 HA PHE 83 HA PHE 83 -15.056 -12.719 6.321 634 1HB PHE 83 1HB PHE 83 -15.006 -13.003 3.840 635 2HB PHE 83 2HB PHE 83 -16.244 -11.892 4.412 636 HD1 PHE 83 HD1 PHE 83 -13.286 -12.292 2.382 637 HD2 PHE 83 HD2 PHE 83 -15.924 -9.447 4.132 638 HE1 PHE 83 HE1 PHE 83 -12.446 -10.568 0.844 639 HE2 PHE 83 HE2 PHE 83 -15.086 -7.716 2.601 640 HZ PHE 83 HZ PHE 83 -13.347 -8.276 0.950 641 H GLY 84 H GLY 84 -12.647 -11.806 7.421 642 1HA GLY 84 1HA GLY 84 -10.779 -13.583 7.151 643 2HA GLY 84 2HA GLY 84 -10.558 -12.768 5.607 644 H ASP 85 H ASP 85 -9.239 -10.996 5.549 645 HA ASP 85 HA ASP 85 -8.729 -9.582 8.058 646 1HB ASP 85 1HB ASP 85 -6.854 -11.286 6.659 647 2HB ASP 85 2HB ASP 85 -6.269 -9.627 6.699 648 H ILE 86 H ILE 86 -10.180 -9.140 5.463 649 HA ILE 86 HA ILE 86 -8.765 -7.249 3.928 650 HB ILE 86 HB ILE 86 -11.655 -7.984 4.189 651 1HG1 ILE 86 1HG1 ILE 86 -9.805 -9.351 3.009 652 2HG1 ILE 86 2HG1 ILE 86 -11.328 -9.103 2.175 653 1HG2 ILE 86 1HG2 ILE 86 -10.825 -6.128 2.015 654 2HG2 ILE 86 2HG2 ILE 86 -11.209 -5.456 3.593 655 3HG2 ILE 86 3HG2 ILE 86 -12.413 -6.398 2.720 656 1HD1 ILE 86 1HD1 ILE 86 -10.082 -7.044 1.140 657 2HD1 ILE 86 2HD1 ILE 86 -9.853 -8.668 0.509 658 3HD1 ILE 86 3HD1 ILE 86 -8.647 -7.975 1.584 659 HA PRO 87 HA PRO 87 -9.213 -4.026 7.112 660 1HB PRO 87 1HB PRO 87 -7.289 -2.422 6.087 661 2HB PRO 87 2HB PRO 87 -6.907 -3.824 7.095 662 1HG PRO 87 1HG PRO 87 -6.895 -3.589 4.102 663 2HG PRO 87 2HG PRO 87 -5.669 -4.307 5.170 664 1HD PRO 87 1HD PRO 87 -7.462 -5.841 3.871 665 2HD PRO 87 2HD PRO 87 -6.907 -6.228 5.508 666 H LEU 88 H LEU 88 -11.341 -3.593 6.133 667 HA LEU 88 HA LEU 88 -11.227 -1.467 4.112 668 1HB LEU 88 1HB LEU 88 -13.759 -2.017 3.922 669 2HB LEU 88 2HB LEU 88 -12.578 -3.026 3.119 670 HG LEU 88 HG LEU 88 -12.736 -4.530 5.211 671 1HD1 LEU 88 1HD1 LEU 88 -15.317 -2.991 5.474 672 2HD1 LEU 88 2HD1 LEU 88 -13.963 -2.922 6.602 673 3HD1 LEU 88 3HD1 LEU 88 -14.861 -4.425 6.392 674 1HD2 LEU 88 1HD2 LEU 88 -14.040 -4.488 2.762 675 2HD2 LEU 88 2HD2 LEU 88 -15.320 -4.795 3.936 676 3HD2 LEU 88 3HD2 LEU 88 -13.914 -5.857 3.867 677 H VAL 89 H VAL 89 -12.768 0.295 4.305 678 HA VAL 89 HA VAL 89 -13.752 0.760 7.022 679 HB VAL 89 HB VAL 89 -12.218 2.895 5.544 680 1HG1 VAL 89 1HG1 VAL 89 -13.426 2.625 8.270 681 2HG1 VAL 89 2HG1 VAL 89 -13.604 3.926 7.095 682 3HG1 VAL 89 3HG1 VAL 89 -12.092 3.742 7.983 683 1HG2 VAL 89 1HG2 VAL 89 -10.803 0.885 6.157 684 2HG2 VAL 89 2HG2 VAL 89 -11.146 1.274 7.843 685 3HG2 VAL 89 3HG2 VAL 89 -10.287 2.431 6.828 686 H HIS 90 H HIS 90 -15.359 2.423 7.166 687 HA HIS 90 HA HIS 90 -17.017 2.529 4.797 688 1HB HIS 90 1HB HIS 90 -17.592 3.804 7.471 689 2HB HIS 90 2HB HIS 90 -18.747 3.335 6.228 690 HD1 HIS 90 HD1 HIS 90 -17.860 2.335 9.422 691 HD2 HIS 90 HD2 HIS 90 -18.261 0.250 5.820 692 HE1 HIS 90 HE1 HIS 90 -18.211 -0.098 10.047 693 HE2 HIS 90 HE2 HIS 90 -18.553 -1.305 7.863 694 H GLY 91 H GLY 91 -17.829 4.461 3.858 695 1HA GLY 91 1HA GLY 91 -16.213 6.865 4.433 696 2HA GLY 91 2HA GLY 91 -16.498 6.323 2.786 697 H MET 92 H MET 92 -18.933 6.188 5.305 698 HA MET 92 HA MET 92 -20.956 7.347 3.834 699 1HB MET 92 1HB MET 92 -20.841 6.215 6.268 700 2HB MET 92 2HB MET 92 -20.988 7.900 6.746 701 1HG MET 92 1HG MET 92 -23.103 8.099 5.935 702 2HG MET 92 2HG MET 92 -22.858 6.879 4.686 703 1HE MET 92 1HE MET 92 -23.320 3.826 5.615 704 2HE MET 92 2HE MET 92 -22.376 3.831 7.105 705 3HE MET 92 3HE MET 92 -21.772 4.668 5.676 706 HA PRO 93 HA PRO 93 -19.928 11.635 5.757 707 1HB PRO 93 1HB PRO 93 -17.522 12.001 6.928 708 2HB PRO 93 2HB PRO 93 -18.922 11.385 7.812 709 1HG PRO 93 1HG PRO 93 -16.608 9.888 6.651 710 2HG PRO 93 2HG PRO 93 -17.411 9.670 8.217 711 1HD PRO 93 1HD PRO 93 -17.897 8.093 6.048 712 2HD PRO 93 2HD PRO 93 -19.101 8.406 7.313 713 H PHE 94 H PHE 94 -17.366 9.778 4.238 714 HA PHE 94 HA PHE 94 -15.954 11.929 3.081 715 1HB PHE 94 1HB PHE 94 -15.456 9.303 3.231 716 2HB PHE 94 2HB PHE 94 -16.115 9.353 1.599 717 HD1 PHE 94 HD1 PHE 94 -15.132 11.679 0.366 718 HD2 PHE 94 HD2 PHE 94 -13.171 9.200 3.212 719 HE1 PHE 94 HE1 PHE 94 -12.956 12.430 -0.490 720 HE2 PHE 94 HE2 PHE 94 -10.986 9.946 2.360 721 HZ PHE 94 HZ PHE 94 -10.877 11.564 0.506 722 H VAL 95 H VAL 95 -18.782 10.108 2.047 723 HA VAL 95 HA VAL 95 -18.858 11.235 -0.573 724 HB VAL 95 HB VAL 95 -21.102 9.940 0.979 725 1HG1 VAL 95 1HG1 VAL 95 -21.160 9.612 -1.891 726 2HG1 VAL 95 2HG1 VAL 95 -21.197 11.315 -1.439 727 3HG1 VAL 95 3HG1 VAL 95 -22.410 10.209 -0.800 728 1HG2 VAL 95 1HG2 VAL 95 -20.027 8.014 0.729 729 2HG2 VAL 95 2HG2 VAL 95 -18.698 8.835 -0.090 730 3HG2 VAL 95 3HG2 VAL 95 -20.069 8.231 -1.021 731 H SER 96 H SER 96 -19.880 12.331 2.537 732 HA SER 96 HA SER 96 -21.989 14.030 1.905 733 1HB SER 96 1HB SER 96 -20.847 13.416 4.204 734 2HB SER 96 2HB SER 96 -19.949 14.906 3.910 735 HG SER 96 HG SER 96 -22.746 14.901 3.649 736 H GLY 97 H GLY 97 -18.521 14.504 1.534 737 1HA GLY 97 1HA GLY 97 -17.387 16.021 0.215 738 2HA GLY 97 2HA GLY 97 -18.938 16.606 -0.364 739 H VAL 98 H VAL 98 -19.150 16.734 2.913 740 HA VAL 98 HA VAL 98 -18.395 19.569 2.929 741 HB VAL 98 HB VAL 98 -20.073 18.203 5.021 742 1HG1 VAL 98 1HG1 VAL 98 -20.302 20.233 5.907 743 2HG1 VAL 98 2HG1 VAL 98 -20.698 20.950 4.344 744 3HG1 VAL 98 3HG1 VAL 98 -19.012 20.757 4.824 745 1HG2 VAL 98 1HG2 VAL 98 -22.034 19.186 3.714 746 2HG2 VAL 98 2HG2 VAL 98 -21.297 17.715 3.082 747 3HG2 VAL 98 3HG2 VAL 98 -20.923 19.274 2.347 748 H GLY 99 H GLY 99 -18.090 16.577 4.810 749 1HA GLY 99 1HA GLY 99 -16.124 17.896 6.550 750 2HA GLY 99 2HA GLY 99 -16.923 16.367 6.879 751 H ILE 100 H ILE 100 -15.532 17.082 3.763 752 HA ILE 100 HA ILE 100 -13.951 14.736 3.762 753 HB ILE 100 HB ILE 100 -13.527 17.108 1.959 754 1HG1 ILE 100 1HG1 ILE 100 -15.875 16.745 1.859 755 2HG1 ILE 100 2HG1 ILE 100 -15.191 15.959 0.441 756 1HG2 ILE 100 1HG2 ILE 100 -13.318 14.213 1.225 757 2HG2 ILE 100 2HG2 ILE 100 -11.979 15.059 2.000 758 3HG2 ILE 100 3HG2 ILE 100 -12.590 15.615 0.441 759 1HD1 ILE 100 1HD1 ILE 100 -16.078 14.038 1.027 760 2HD1 ILE 100 2HD1 ILE 100 -16.887 14.852 2.362 761 3HD1 ILE 100 3HD1 ILE 100 -15.313 14.100 2.610 762 H GLU 101 H GLU 101 -13.133 18.164 4.117 763 HA GLU 101 HA GLU 101 -10.374 17.963 4.230 764 1HB GLU 101 1HB GLU 101 -11.944 19.852 5.973 765 2HB GLU 101 2HB GLU 101 -10.368 20.109 5.238 766 1HG GLU 101 1HG GLU 101 -12.257 19.594 3.172 767 2HG GLU 101 2HG GLU 101 -12.914 20.826 4.247 768 H ALA 102 H ALA 102 -12.719 17.731 6.889 769 HA ALA 102 HA ALA 102 -10.745 17.232 8.885 770 1HB ALA 102 1HB ALA 102 -12.990 18.193 9.346 771 2HB ALA 102 2HB ALA 102 -12.582 16.816 10.369 772 3HB ALA 102 3HB ALA 102 -13.691 16.609 9.013 773 H LEU 103 H LEU 103 -12.968 15.168 7.047 774 HA LEU 103 HA LEU 103 -12.366 12.737 8.296 775 1HB LEU 103 1HB LEU 103 -14.270 12.993 6.811 776 2HB LEU 103 2HB LEU 103 -13.205 13.291 5.451 777 HG LEU 103 HG LEU 103 -12.326 10.975 5.682 778 1HD1 LEU 103 1HD1 LEU 103 -14.638 10.440 7.513 779 2HD1 LEU 103 2HD1 LEU 103 -13.045 10.862 8.141 780 3HD1 LEU 103 3HD1 LEU 103 -13.248 9.416 7.152 781 1HD2 LEU 103 1HD2 LEU 103 -14.291 9.879 4.743 782 2HD2 LEU 103 2HD2 LEU 103 -14.097 11.503 4.083 783 3HD2 LEU 103 3HD2 LEU 103 -15.313 11.193 5.323 784 H GLN 104 H GLN 104 -11.028 14.118 5.301 785 HA GLN 104 HA GLN 104 -9.200 12.186 4.629 786 1HB GLN 104 1HB GLN 104 -9.738 14.302 3.367 787 2HB GLN 104 2HB GLN 104 -8.657 15.152 4.461 788 1HG GLN 104 1HG GLN 104 -6.817 14.396 3.439 789 2HG GLN 104 2HG GLN 104 -7.493 12.787 3.183 790 1HE2 GLN 104 1HE2 GLN 104 -7.325 12.374 1.092 791 2HE2 GLN 104 2HE2 GLN 104 -7.813 13.425 -0.189 792 H ASN 105 H ASN 105 -8.713 14.900 6.876 793 HA ASN 105 HA ASN 105 -6.059 14.543 7.511 794 1HB ASN 105 1HB ASN 105 -7.643 16.360 8.337 795 2HB ASN 105 2HB ASN 105 -8.132 15.221 9.590 796 1HD2 ASN 105 1HD2 ASN 105 -7.307 16.211 11.344 797 2HD2 ASN 105 2HD2 ASN 105 -5.625 16.517 11.591 798 H LYS 106 H LYS 106 -8.838 12.725 8.660 799 HA LYS 106 HA LYS 106 -7.353 11.294 10.645 800 1HB LYS 106 1HB LYS 106 -10.039 11.642 10.117 801 2HB LYS 106 2HB LYS 106 -9.765 9.969 9.647 802 1HG LYS 106 1HG LYS 106 -10.148 9.539 11.809 803 2HG LYS 106 2HG LYS 106 -8.473 10.049 12.025 804 1HD LYS 106 1HD LYS 106 -9.402 12.405 12.316 805 2HD LYS 106 2HD LYS 106 -10.984 11.640 12.471 806 1HE LYS 106 1HE LYS 106 -8.568 11.188 14.216 807 2HE LYS 106 2HE LYS 106 -10.062 12.009 14.666 808 1HZ LYS 106 1HZ LYS 106 -9.506 9.163 14.434 809 2HZ LYS 106 2HZ LYS 106 -11.030 9.668 13.901 810 3HZ LYS 106 3HZ LYS 106 -10.544 9.983 15.489 811 H ILE 107 H ILE 107 -8.374 10.686 7.324 812 HA ILE 107 HA ILE 107 -7.632 8.009 7.114 813 HB ILE 107 HB ILE 107 -7.357 10.061 4.918 814 1HG1 ILE 107 1HG1 ILE 107 -9.577 10.256 5.880 815 2HG1 ILE 107 2HG1 ILE 107 -9.690 9.433 4.328 816 1HG2 ILE 107 1HG2 ILE 107 -7.267 8.342 3.431 817 2HG2 ILE 107 2HG2 ILE 107 -8.231 7.269 4.445 818 3HG2 ILE 107 3HG2 ILE 107 -6.530 7.538 4.817 819 1HD1 ILE 107 1HD1 ILE 107 -9.359 7.439 6.284 820 2HD1 ILE 107 2HD1 ILE 107 -10.791 7.796 5.319 821 3HD1 ILE 107 3HD1 ILE 107 -10.572 8.566 6.890 822 H LEU 108 H LEU 108 -5.692 10.924 6.415 823 HA LEU 108 HA LEU 108 -3.342 9.508 5.748 824 1HB LEU 108 1HB LEU 108 -2.186 11.701 6.248 825 2HB LEU 108 2HB LEU 108 -3.428 11.725 5.016 826 HG LEU 108 HG LEU 108 -4.794 12.382 7.342 827 1HD1 LEU 108 1HD1 LEU 108 -2.398 12.663 8.270 828 2HD1 LEU 108 2HD1 LEU 108 -3.579 13.944 8.547 829 3HD1 LEU 108 3HD1 LEU 108 -2.364 14.124 7.282 830 1HD2 LEU 108 1HD2 LEU 108 -3.823 13.800 4.926 831 2HD2 LEU 108 2HD2 LEU 108 -4.446 14.777 6.253 832 3HD2 LEU 108 3HD2 LEU 108 -5.469 13.547 5.509 833 H THR 109 H THR 109 -4.527 10.813 8.823 834 HA THR 109 HA THR 109 -2.201 10.422 10.315 835 HB THR 109 HB THR 109 -5.057 10.240 11.278 836 HG1 THR 109 HG1 THR 109 -5.026 12.358 11.354 837 1HG2 THR 109 1HG2 THR 109 -2.637 11.003 12.881 838 2HG2 THR 109 2HG2 THR 109 -3.317 9.375 12.867 839 3HG2 THR 109 3HG2 THR 109 -4.283 10.730 13.452 840 H ILE 110 H ILE 110 -4.858 8.191 9.602 841 HA ILE 110 HA ILE 110 -3.951 6.108 11.282 842 HB ILE 110 HB ILE 110 -5.557 5.724 8.760 843 1HG1 ILE 110 1HG1 ILE 110 -6.558 7.523 10.117 844 2HG1 ILE 110 2HG1 ILE 110 -7.568 6.087 10.103 845 1HG2 ILE 110 1HG2 ILE 110 -4.616 3.754 10.081 846 2HG2 ILE 110 2HG2 ILE 110 -6.346 3.746 9.739 847 3HG2 ILE 110 3HG2 ILE 110 -5.765 4.205 11.340 848 1HD1 ILE 110 1HD1 ILE 110 -6.005 5.711 12.322 849 2HD1 ILE 110 2HD1 ILE 110 -7.652 6.342 12.308 850 3HD1 ILE 110 3HD1 ILE 110 -6.283 7.452 12.320 851 H LEU 111 H LEU 111 -3.530 6.664 7.785 852 HA LEU 111 HA LEU 111 -1.947 4.341 7.392 853 1HB LEU 111 1HB LEU 111 -1.363 5.403 5.203 854 2HB LEU 111 2HB LEU 111 -3.077 5.200 5.506 855 HG LEU 111 HG LEU 111 -2.815 7.716 6.374 856 1HD1 LEU 111 1HD1 LEU 111 -0.833 7.611 4.121 857 2HD1 LEU 111 2HD1 LEU 111 -0.346 7.610 5.816 858 3HD1 LEU 111 3HD1 LEU 111 -1.245 8.977 5.156 859 1HD2 LEU 111 1HD2 LEU 111 -3.380 8.376 3.961 860 2HD2 LEU 111 2HD2 LEU 111 -4.439 7.221 4.768 861 3HD2 LEU 111 3HD2 LEU 111 -3.244 6.655 3.601 862 H GLN 112 H GLN 112 -1.185 7.461 8.645 863 HA GLN 112 HA GLN 112 1.659 7.136 8.069 864 1HB GLN 112 1HB GLN 112 1.974 9.349 8.936 865 2HB GLN 112 2HB GLN 112 0.587 9.383 7.856 866 1HG GLN 112 1HG GLN 112 -0.753 10.095 9.462 867 2HG GLN 112 2HG GLN 112 -0.201 8.854 10.583 868 1HE2 GLN 112 1HE2 GLN 112 0.945 9.481 12.280 869 2HE2 GLN 112 2HE2 GLN 112 1.689 11.027 12.482 870 H GLY 113 H GLY 113 -0.609 6.597 10.603 871 1HA GLY 113 1HA GLY 113 -0.171 5.243 12.476 872 2HA GLY 113 2HA GLY 113 1.546 5.557 12.276 Start of MODEL 16 1 1H MET 1 1H MET 1 32.275 11.156 -27.534 2 2H MET 1 2H MET 1 31.123 12.426 -27.586 3 3H MET 1 3H MET 1 30.955 11.069 -28.623 4 HA MET 1 HA MET 1 29.656 10.183 -27.149 5 1HB MET 1 1HB MET 1 32.054 10.227 -25.308 6 2HB MET 1 2HB MET 1 30.722 9.079 -25.290 7 1HG MET 1 1HG MET 1 31.511 8.566 -27.722 8 2HG MET 1 2HG MET 1 33.022 9.285 -27.171 9 1HE MET 1 1HE MET 1 34.785 6.588 -25.439 10 2HE MET 1 2HE MET 1 34.659 8.322 -25.736 11 3HE MET 1 3HE MET 1 34.734 7.198 -27.093 12 H GLY 2 H GLY 2 28.327 10.471 -25.298 13 1HA GLY 2 1HA GLY 2 28.756 13.013 -23.860 14 2HA GLY 2 2HA GLY 2 27.191 12.621 -24.556 15 H SER 3 H SER 3 28.314 13.024 -21.727 16 HA SER 3 HA SER 3 27.466 10.472 -20.551 17 1HB SER 3 1HB SER 3 28.329 11.939 -18.430 18 2HB SER 3 2HB SER 3 29.373 10.889 -19.388 19 HG SER 3 HG SER 3 29.166 13.675 -19.375 20 H SER 4 H SER 4 25.647 10.292 -19.370 21 HA SER 4 HA SER 4 24.025 12.724 -19.033 22 1HB SER 4 1HB SER 4 22.785 11.266 -20.392 23 2HB SER 4 2HB SER 4 23.291 9.841 -19.484 24 HG SER 4 HG SER 4 21.961 10.478 -17.799 25 H HIS 5 H HIS 5 24.175 9.529 -17.461 26 HA HIS 5 HA HIS 5 24.139 8.906 -15.276 27 1HB HIS 5 1HB HIS 5 25.557 11.557 -15.030 28 2HB HIS 5 2HB HIS 5 25.320 10.474 -13.664 29 HD1 HIS 5 HD1 HIS 5 28.109 11.335 -14.950 30 HD2 HIS 5 HD2 HIS 5 26.086 7.726 -15.540 31 HE1 HIS 5 HE1 HIS 5 29.868 9.647 -15.647 32 HE2 HIS 5 HE2 HIS 5 28.607 7.508 -16.077 33 H HIS 6 H HIS 6 21.810 9.031 -15.334 34 HA HIS 6 HA HIS 6 20.756 10.598 -13.209 35 1HB HIS 6 1HB HIS 6 20.311 11.497 -16.015 36 2HB HIS 6 2HB HIS 6 18.954 11.594 -14.897 37 HD1 HIS 6 HD1 HIS 6 20.801 13.952 -16.249 38 HD2 HIS 6 HD2 HIS 6 20.703 12.655 -12.275 39 HE1 HIS 6 HE1 HIS 6 21.668 15.885 -14.854 40 HE2 HIS 6 HE2 HIS 6 21.522 15.102 -12.464 41 H HIS 7 H HIS 7 19.450 9.191 -12.259 42 HA HIS 7 HA HIS 7 18.005 7.248 -13.918 43 1HB HIS 7 1HB HIS 7 17.687 6.015 -11.760 44 2HB HIS 7 2HB HIS 7 19.370 6.198 -12.242 45 HD1 HIS 7 HD1 HIS 7 20.493 6.175 -10.004 46 HD2 HIS 7 HD2 HIS 7 17.337 8.908 -10.221 47 HE1 HIS 7 HE1 HIS 7 20.584 7.530 -7.861 48 HE2 HIS 7 HE2 HIS 7 18.624 9.108 -7.986 49 H HIS 8 H HIS 8 17.042 9.892 -13.820 50 HA HIS 8 HA HIS 8 14.596 9.577 -12.209 51 1HB HIS 8 1HB HIS 8 16.304 11.930 -12.800 52 2HB HIS 8 2HB HIS 8 14.565 12.205 -12.772 53 HD1 HIS 8 HD1 HIS 8 15.361 9.567 -10.446 54 HD2 HIS 8 HD2 HIS 8 15.462 13.747 -10.387 55 HE1 HIS 8 HE1 HIS 8 15.435 10.236 -8.001 56 HE2 HIS 8 HE2 HIS 8 15.590 12.752 -8.002 57 H HIS 9 H HIS 9 12.636 9.814 -13.169 58 HA HIS 9 HA HIS 9 12.165 10.958 -15.693 59 1HB HIS 9 1HB HIS 9 11.754 8.963 -17.045 60 2HB HIS 9 2HB HIS 9 13.433 9.026 -16.522 61 HD1 HIS 9 HD1 HIS 9 13.307 7.758 -13.774 62 HD2 HIS 9 HD2 HIS 9 11.189 6.317 -17.079 63 HE1 HIS 9 HE1 HIS 9 12.836 5.311 -13.299 64 HE2 HIS 9 HE2 HIS 9 11.633 4.453 -15.341 65 H HIS 10 H HIS 10 11.201 8.841 -13.109 66 HA HIS 10 HA HIS 10 9.203 8.420 -12.125 67 1HB HIS 10 1HB HIS 10 8.968 11.115 -13.227 68 2HB HIS 10 2HB HIS 10 7.410 10.309 -13.068 69 HD1 HIS 10 HD1 HIS 10 8.512 12.774 -11.336 70 HD2 HIS 10 HD2 HIS 10 8.306 8.764 -10.174 71 HE1 HIS 10 HE1 HIS 10 8.451 12.777 -8.800 72 HE2 HIS 10 HE2 HIS 10 8.416 10.347 -8.131 73 H HIS 11 H HIS 11 6.735 8.172 -12.676 74 HA HIS 11 HA HIS 11 6.610 6.718 -15.232 75 1HB HIS 11 1HB HIS 11 4.630 5.565 -14.086 76 2HB HIS 11 2HB HIS 11 6.237 5.193 -13.466 77 HD1 HIS 11 HD1 HIS 11 4.189 8.274 -12.643 78 HD2 HIS 11 HD2 HIS 11 5.636 4.806 -10.820 79 HE1 HIS 11 HE1 HIS 11 3.692 8.517 -10.169 80 HE2 HIS 11 HE2 HIS 11 4.419 6.339 -9.133 81 H HIS 12 H HIS 12 4.072 6.454 -15.791 82 HA HIS 12 HA HIS 12 2.339 8.603 -15.331 83 1HB HIS 12 1HB HIS 12 4.424 9.187 -17.211 84 2HB HIS 12 2HB HIS 12 2.884 9.144 -18.062 85 HD1 HIS 12 HD1 HIS 12 1.193 11.000 -17.591 86 HD2 HIS 12 HD2 HIS 12 4.673 11.249 -15.289 87 HE1 HIS 12 HE1 HIS 12 1.150 13.284 -16.489 88 HE2 HIS 12 HE2 HIS 12 3.278 13.420 -15.147 89 H GLU 13 H GLU 13 0.492 7.539 -15.534 90 HA GLU 13 HA GLU 13 -1.194 6.266 -16.372 91 1HB GLU 13 1HB GLU 13 0.283 7.078 -18.829 92 2HB GLU 13 2HB GLU 13 -0.924 5.809 -18.977 93 1HG GLU 13 1HG GLU 13 -1.419 8.554 -17.846 94 2HG GLU 13 2HG GLU 13 -1.816 8.035 -19.485 95 H ASN 14 H ASN 14 0.717 4.867 -15.068 96 HA ASN 14 HA ASN 14 1.489 2.764 -14.715 97 1HB ASN 14 1HB ASN 14 -0.903 2.462 -16.171 98 2HB ASN 14 2HB ASN 14 0.249 1.340 -16.891 99 1HD2 ASN 14 1HD2 ASN 14 1.425 -0.068 -15.358 100 2HD2 ASN 14 2HD2 ASN 14 0.565 -0.661 -13.982 101 H LEU 15 H LEU 15 3.158 1.384 -15.378 102 HA LEU 15 HA LEU 15 4.167 1.743 -18.099 103 1HB LEU 15 1HB LEU 15 5.329 2.897 -15.762 104 2HB LEU 15 2HB LEU 15 6.425 1.680 -16.373 105 HG LEU 15 HG LEU 15 5.638 3.131 -18.628 106 1HD1 LEU 15 1HD1 LEU 15 5.606 4.784 -16.215 107 2HD1 LEU 15 2HD1 LEU 15 4.964 5.108 -17.825 108 3HD1 LEU 15 3HD1 LEU 15 6.672 5.384 -17.486 109 1HD2 LEU 15 1HD2 LEU 15 8.104 2.952 -16.939 110 2HD2 LEU 15 2HD2 LEU 15 8.048 4.029 -18.335 111 3HD2 LEU 15 3HD2 LEU 15 7.802 2.295 -18.548 112 H TYR 16 H TYR 16 6.213 0.272 -15.695 113 HA TYR 16 HA TYR 16 5.223 -2.391 -15.998 114 1HB TYR 16 1HB TYR 16 7.631 -1.502 -17.583 115 2HB TYR 16 2HB TYR 16 7.417 -3.179 -17.097 116 HD1 TYR 16 HD1 TYR 16 5.481 -4.478 -17.979 117 HD2 TYR 16 HD2 TYR 16 6.404 -0.576 -19.404 118 HE1 TYR 16 HE1 TYR 16 4.081 -4.876 -19.960 119 HE2 TYR 16 HE2 TYR 16 5.003 -0.963 -21.387 120 HH TYR 16 HH TYR 16 4.212 -3.116 -22.694 121 H PHE 17 H PHE 17 5.342 -2.095 -13.695 122 HA PHE 17 HA PHE 17 6.268 -2.505 -11.663 123 1HB PHE 17 1HB PHE 17 8.520 -3.484 -13.405 124 2HB PHE 17 2HB PHE 17 8.652 -3.468 -11.650 125 HD1 PHE 17 HD1 PHE 17 7.850 -5.437 -14.376 126 HD2 PHE 17 HD2 PHE 17 6.503 -4.535 -10.442 127 HE1 PHE 17 HE1 PHE 17 6.692 -7.605 -14.281 128 HE2 PHE 17 HE2 PHE 17 5.344 -6.704 -10.337 129 HZ PHE 17 HZ PHE 17 5.437 -8.242 -12.259 130 H GLN 18 H GLN 18 6.073 -0.132 -11.624 131 HA GLN 18 HA GLN 18 8.666 1.252 -11.557 132 1HB GLN 18 1HB GLN 18 7.295 3.320 -11.576 133 2HB GLN 18 2HB GLN 18 7.019 2.304 -12.986 134 1HG GLN 18 1HG GLN 18 5.176 1.523 -10.984 135 2HG GLN 18 2HG GLN 18 5.133 3.276 -11.104 136 1HE2 GLN 18 1HE2 GLN 18 2.979 2.990 -11.894 137 2HE2 GLN 18 2HE2 GLN 18 2.718 2.594 -13.553 138 H GLY 19 H GLY 19 6.380 -0.183 -9.552 139 1HA GLY 19 1HA GLY 19 7.592 0.221 -7.160 140 2HA GLY 19 2HA GLY 19 6.581 1.648 -7.340 141 H SER 20 H SER 20 6.666 -1.233 -5.895 142 HA SER 20 HA SER 20 3.737 -1.473 -5.921 143 1HB SER 20 1HB SER 20 5.190 -3.309 -7.195 144 2HB SER 20 2HB SER 20 5.356 -3.953 -5.562 145 HG SER 20 HG SER 20 3.406 -4.682 -5.734 146 H LYS 21 H LYS 21 3.020 -1.014 -3.951 147 HA LYS 21 HA LYS 21 4.440 -2.130 -1.642 148 1HB LYS 21 1HB LYS 21 4.963 0.361 -2.141 149 2HB LYS 21 2HB LYS 21 3.352 0.667 -1.514 150 1HG LYS 21 1HG LYS 21 4.056 0.496 0.582 151 2HG LYS 21 2HG LYS 21 4.828 -1.058 0.260 152 1HD LYS 21 1HD LYS 21 6.405 0.692 1.054 153 2HD LYS 21 2HD LYS 21 6.821 0.033 -0.528 154 1HE LYS 21 1HE LYS 21 7.108 2.392 -0.648 155 2HE LYS 21 2HE LYS 21 5.647 2.000 -1.551 156 1HZ LYS 21 1HZ LYS 21 4.781 3.643 -0.321 157 2HZ LYS 21 2HZ LYS 21 5.957 3.527 0.889 158 3HZ LYS 21 3HZ LYS 21 4.647 2.459 0.879 159 H ARG 22 H ARG 22 1.705 0.141 -1.758 160 HA ARG 22 HA ARG 22 0.027 -2.003 -0.640 161 1HB ARG 22 1HB ARG 22 -0.420 0.934 -0.147 162 2HB ARG 22 2HB ARG 22 -1.099 -0.430 0.726 163 1HG ARG 22 1HG ARG 22 0.749 -0.711 2.007 164 2HG ARG 22 2HG ARG 22 1.848 -0.154 0.745 165 1HD ARG 22 1HD ARG 22 1.955 1.805 1.783 166 2HD ARG 22 2HD ARG 22 0.255 2.055 1.398 167 HE ARG 22 HE ARG 22 -0.315 1.204 3.555 168 1HH1 ARG 22 1HH1 ARG 22 3.111 1.713 3.077 169 2HH1 ARG 22 2HH1 ARG 22 3.463 1.757 4.769 170 1HH2 ARG 22 1HH2 ARG 22 0.158 1.261 5.780 171 2HH2 ARG 22 2HH2 ARG 22 1.793 1.499 6.302 172 H LYS 23 H LYS 23 -2.111 -2.177 -1.353 173 HA LYS 23 HA LYS 23 -2.846 -0.489 -3.646 174 1HB LYS 23 1HB LYS 23 -2.831 -3.488 -3.457 175 2HB LYS 23 2HB LYS 23 -3.913 -2.662 -4.569 176 1HG LYS 23 1HG LYS 23 -2.273 -2.222 -6.018 177 2HG LYS 23 2HG LYS 23 -1.155 -1.732 -4.743 178 1HD LYS 23 1HD LYS 23 -1.438 -4.497 -4.442 179 2HD LYS 23 2HD LYS 23 -1.332 -4.234 -6.183 180 1HE LYS 23 1HE LYS 23 0.666 -3.585 -4.047 181 2HE LYS 23 2HE LYS 23 0.888 -4.492 -5.541 182 1HZ LYS 23 1HZ LYS 23 1.904 -2.453 -5.933 183 2HZ LYS 23 2HZ LYS 23 0.673 -1.568 -5.186 184 3HZ LYS 23 3HZ LYS 23 0.400 -2.294 -6.690 185 H ILE 24 H ILE 24 -4.693 0.532 -3.234 186 HA ILE 24 HA ILE 24 -6.583 -0.664 -1.333 187 HB ILE 24 HB ILE 24 -6.692 2.181 -2.296 188 1HG1 ILE 24 1HG1 ILE 24 -5.482 1.711 0.345 189 2HG1 ILE 24 2HG1 ILE 24 -4.488 1.183 -1.007 190 1HG2 ILE 24 1HG2 ILE 24 -7.882 2.545 -0.199 191 2HG2 ILE 24 2HG2 ILE 24 -7.670 0.848 0.224 192 3HG2 ILE 24 3HG2 ILE 24 -8.664 1.292 -1.162 193 1HD1 ILE 24 1HD1 ILE 24 -4.548 3.698 0.020 194 2HD1 ILE 24 2HD1 ILE 24 -5.644 3.840 -1.355 195 3HD1 ILE 24 3HD1 ILE 24 -3.992 3.273 -1.599 196 H ILE 25 H ILE 25 -8.906 -0.550 -1.776 197 HA ILE 25 HA ILE 25 -9.518 -0.372 -4.647 198 HB ILE 25 HB ILE 25 -11.184 -2.143 -2.949 199 1HG1 ILE 25 1HG1 ILE 25 -8.932 -2.760 -2.242 200 2HG1 ILE 25 2HG1 ILE 25 -9.649 -4.041 -3.215 201 1HG2 ILE 25 1HG2 ILE 25 -10.475 -3.390 -5.342 202 2HG2 ILE 25 2HG2 ILE 25 -10.677 -1.682 -5.737 203 3HG2 ILE 25 3HG2 ILE 25 -11.989 -2.570 -4.963 204 1HD1 ILE 25 1HD1 ILE 25 -7.185 -3.324 -3.609 205 2HD1 ILE 25 2HD1 ILE 25 -7.912 -2.000 -4.504 206 3HD1 ILE 25 3HD1 ILE 25 -8.230 -3.665 -4.985 207 H VAL 26 H VAL 26 -11.485 0.530 -5.220 208 HA VAL 26 HA VAL 26 -13.064 1.684 -3.007 209 HB VAL 26 HB VAL 26 -12.553 3.109 -5.616 210 1HG1 VAL 26 1HG1 VAL 26 -14.171 4.475 -4.952 211 2HG1 VAL 26 2HG1 VAL 26 -13.272 4.831 -3.476 212 3HG1 VAL 26 3HG1 VAL 26 -14.420 3.493 -3.510 213 1HG2 VAL 26 1HG2 VAL 26 -11.367 4.112 -3.093 214 2HG2 VAL 26 2HG2 VAL 26 -10.778 4.230 -4.750 215 3HG2 VAL 26 3HG2 VAL 26 -10.588 2.724 -3.853 216 H ALA 27 H ALA 27 -15.098 0.977 -3.050 217 HA ALA 27 HA ALA 27 -16.241 0.223 -5.656 218 1HB ALA 27 1HB ALA 27 -17.202 -1.632 -4.765 219 2HB ALA 27 2HB ALA 27 -17.396 -0.901 -3.172 220 3HB ALA 27 3HB ALA 27 -15.817 -1.502 -3.681 221 H CYS 28 H CYS 28 -17.872 1.403 -6.354 222 HA CYS 28 HA CYS 28 -19.776 2.525 -4.443 223 1HB CYS 28 1HB CYS 28 -17.749 4.109 -5.403 224 2HB CYS 28 2HB CYS 28 -19.051 4.449 -6.538 225 HG CYS 28 HG CYS 28 -19.037 6.036 -4.364 226 H GLY 29 H GLY 29 -19.144 3.081 -7.910 227 1HA GLY 29 1HA GLY 29 -20.409 2.570 -9.765 228 2HA GLY 29 2HA GLY 29 -21.280 1.405 -8.779 229 H GLY 30 H GLY 30 -20.970 4.936 -9.181 230 1HA GLY 30 1HA GLY 30 -23.892 5.116 -9.241 231 2HA GLY 30 2HA GLY 30 -23.048 6.028 -8.000 232 H ALA 31 H ALA 31 -22.916 8.101 -8.513 233 HA ALA 31 HA ALA 31 -22.901 8.910 -11.312 234 1HB ALA 31 1HB ALA 31 -23.655 10.150 -8.767 235 2HB ALA 31 2HB ALA 31 -24.305 10.396 -10.389 236 3HB ALA 31 3HB ALA 31 -22.835 11.235 -9.892 237 H VAL 32 H VAL 32 -21.430 10.711 -11.963 238 HA VAL 32 HA VAL 32 -18.722 9.976 -11.421 239 HB VAL 32 HB VAL 32 -18.176 11.957 -12.889 240 1HG1 VAL 32 1HG1 VAL 32 -19.959 9.724 -13.808 241 2HG1 VAL 32 2HG1 VAL 32 -18.206 9.867 -13.944 242 3HG1 VAL 32 3HG1 VAL 32 -19.254 10.877 -14.940 243 1HG2 VAL 32 1HG2 VAL 32 -19.794 13.285 -13.826 244 2HG2 VAL 32 2HG2 VAL 32 -20.510 12.986 -12.242 245 3HG2 VAL 32 3HG2 VAL 32 -21.055 12.065 -13.644 246 H ALA 33 H ALA 33 -20.882 11.972 -9.803 247 HA ALA 33 HA ALA 33 -18.862 13.848 -8.859 248 1HB ALA 33 1HB ALA 33 -21.820 13.631 -8.331 249 2HB ALA 33 2HB ALA 33 -20.992 14.815 -9.342 250 3HB ALA 33 3HB ALA 33 -20.773 14.842 -7.592 251 H THR 34 H THR 34 -18.822 10.919 -8.214 252 HA THR 34 HA THR 34 -18.509 11.238 -5.329 253 HB THR 34 HB THR 34 -20.059 8.980 -6.614 254 HG1 THR 34 HG1 THR 34 -21.777 9.832 -5.403 255 1HG2 THR 34 1HG2 THR 34 -19.257 7.827 -4.861 256 2HG2 THR 34 2HG2 THR 34 -20.549 8.676 -4.013 257 3HG2 THR 34 3HG2 THR 34 -18.892 9.274 -3.924 258 H SER 35 H SER 35 -18.317 8.656 -7.790 259 HA SER 35 HA SER 35 -16.152 7.306 -6.686 260 1HB SER 35 1HB SER 35 -16.829 7.532 -9.630 261 2HB SER 35 2HB SER 35 -15.870 6.261 -8.873 262 HG SER 35 HG SER 35 -18.575 6.534 -9.036 263 H THR 36 H THR 36 -16.140 9.773 -9.256 264 HA THR 36 HA THR 36 -13.336 9.873 -9.540 265 HB THR 36 HB THR 36 -14.968 12.311 -10.055 266 HG1 THR 36 HG1 THR 36 -15.173 10.282 -11.943 267 1HG2 THR 36 1HG2 THR 36 -13.785 12.232 -12.226 268 2HG2 THR 36 2HG2 THR 36 -12.914 10.808 -11.656 269 3HG2 THR 36 3HG2 THR 36 -12.709 12.356 -10.835 270 H MET 37 H MET 37 -15.600 11.776 -7.588 271 HA MET 37 HA MET 37 -13.890 13.713 -6.617 272 1HB MET 37 1HB MET 37 -16.442 13.284 -6.208 273 2HB MET 37 2HB MET 37 -15.877 12.428 -4.780 274 1HG MET 37 1HG MET 37 -16.490 14.735 -4.282 275 2HG MET 37 2HG MET 37 -14.783 14.426 -3.973 276 1HE MET 37 1HE MET 37 -12.810 15.392 -6.253 277 2HE MET 37 2HE MET 37 -13.103 15.643 -4.533 278 3HE MET 37 3HE MET 37 -13.003 17.027 -5.621 279 H ALA 38 H ALA 38 -14.601 10.558 -5.110 280 HA ALA 38 HA ALA 38 -12.698 10.814 -3.048 281 1HB ALA 38 1HB ALA 38 -13.408 8.781 -2.377 282 2HB ALA 38 2HB ALA 38 -13.276 8.085 -3.993 283 3HB ALA 38 3HB ALA 38 -14.684 9.058 -3.563 284 H ALA 39 H ALA 39 -12.556 8.980 -6.104 285 HA ALA 39 HA ALA 39 -10.026 7.959 -5.972 286 1HB ALA 39 1HB ALA 39 -10.472 8.993 -8.623 287 2HB ALA 39 2HB ALA 39 -11.950 8.290 -7.967 288 3HB ALA 39 3HB ALA 39 -10.478 7.325 -8.052 289 H GLU 40 H GLU 40 -10.836 11.120 -7.429 290 HA GLU 40 HA GLU 40 -8.204 11.940 -7.883 291 1HB GLU 40 1HB GLU 40 -10.074 13.068 -8.934 292 2HB GLU 40 2HB GLU 40 -10.687 13.587 -7.370 293 1HG GLU 40 1HG GLU 40 -8.219 14.660 -7.288 294 2HG GLU 40 2HG GLU 40 -8.519 14.694 -9.024 295 H GLU 41 H GLU 41 -10.266 12.265 -5.046 296 HA GLU 41 HA GLU 41 -8.579 14.008 -3.597 297 1HB GLU 41 1HB GLU 41 -11.030 12.562 -3.134 298 2HB GLU 41 2HB GLU 41 -9.977 12.428 -1.734 299 1HG GLU 41 1HG GLU 41 -9.936 14.743 -1.400 300 2HG GLU 41 2HG GLU 41 -10.560 15.074 -3.015 301 H ILE 42 H ILE 42 -8.999 10.467 -3.383 302 HA ILE 42 HA ILE 42 -6.973 10.057 -1.474 303 HB ILE 42 HB ILE 42 -7.747 8.043 -3.569 304 1HG1 ILE 42 1HG1 ILE 42 -9.839 8.831 -2.718 305 2HG1 ILE 42 2HG1 ILE 42 -9.501 7.300 -1.925 306 1HG2 ILE 42 1HG2 ILE 42 -7.453 6.579 -1.428 307 2HG2 ILE 42 2HG2 ILE 42 -6.501 7.952 -0.866 308 3HG2 ILE 42 3HG2 ILE 42 -6.043 7.109 -2.345 309 1HD1 ILE 42 1HD1 ILE 42 -8.751 9.874 -0.615 310 2HD1 ILE 42 2HD1 ILE 42 -9.088 8.301 0.108 311 3HD1 ILE 42 3HD1 ILE 42 -10.404 9.269 -0.550 312 H LYS 43 H LYS 43 -6.907 10.281 -4.973 313 HA LYS 43 HA LYS 43 -4.318 9.244 -5.384 314 1HB LYS 43 1HB LYS 43 -6.290 9.929 -7.046 315 2HB LYS 43 2HB LYS 43 -5.329 11.396 -7.173 316 1HG LYS 43 1HG LYS 43 -3.371 9.680 -7.557 317 2HG LYS 43 2HG LYS 43 -4.700 8.630 -8.053 318 1HD LYS 43 1HD LYS 43 -5.032 11.229 -9.222 319 2HD LYS 43 2HD LYS 43 -3.410 10.627 -9.565 320 1HE LYS 43 1HE LYS 43 -6.054 9.369 -10.240 321 2HE LYS 43 2HE LYS 43 -4.765 9.862 -11.336 322 1HZ LYS 43 1HZ LYS 43 -3.569 8.055 -9.684 323 2HZ LYS 43 2HZ LYS 43 -4.121 7.748 -11.252 324 3HZ LYS 43 3HZ LYS 43 -5.108 7.395 -9.926 325 H GLU 44 H GLU 44 -5.393 12.650 -5.345 326 HA GLU 44 HA GLU 44 -2.900 13.842 -5.486 327 1HB GLU 44 1HB GLU 44 -3.970 15.798 -4.360 328 2HB GLU 44 2HB GLU 44 -4.887 15.168 -5.722 329 1HG GLU 44 1HG GLU 44 -6.522 14.248 -4.350 330 2HG GLU 44 2HG GLU 44 -5.492 14.302 -2.925 331 H LEU 45 H LEU 45 -4.588 12.526 -2.701 332 HA LEU 45 HA LEU 45 -2.868 13.574 -0.716 333 1HB LEU 45 1HB LEU 45 -5.060 11.657 -0.869 334 2HB LEU 45 2HB LEU 45 -3.849 11.201 0.316 335 HG LEU 45 HG LEU 45 -5.578 12.483 1.400 336 1HD1 LEU 45 1HD1 LEU 45 -2.986 12.888 1.757 337 2HD1 LEU 45 2HD1 LEU 45 -4.203 13.820 2.629 338 3HD1 LEU 45 3HD1 LEU 45 -3.416 14.508 1.208 339 1HD2 LEU 45 1HD2 LEU 45 -6.692 13.980 0.185 340 2HD2 LEU 45 2HD2 LEU 45 -5.405 14.067 -1.015 341 3HD2 LEU 45 3HD2 LEU 45 -5.332 15.075 0.430 342 H CYS 46 H CYS 46 -2.981 10.399 -2.311 343 HA CYS 46 HA CYS 46 -0.850 9.200 -1.008 344 1HB CYS 46 1HB CYS 46 -1.863 8.866 -3.831 345 2HB CYS 46 2HB CYS 46 -0.617 7.838 -3.132 346 HG CYS 46 HG CYS 46 -2.319 6.665 -1.750 347 H GLN 47 H GLN 47 -0.831 11.281 -3.873 348 HA GLN 47 HA GLN 47 1.991 11.070 -4.284 349 1HB GLN 47 1HB GLN 47 0.154 11.704 -5.986 350 2HB GLN 47 2HB GLN 47 0.285 13.321 -5.310 351 1HG GLN 47 1HG GLN 47 2.066 13.744 -6.544 352 2HG GLN 47 2HG GLN 47 2.897 12.329 -5.902 353 1HE2 GLN 47 1HE2 GLN 47 2.337 13.697 -8.662 354 2HE2 GLN 47 2HE2 GLN 47 2.037 12.339 -9.689 355 H SER 48 H SER 48 -0.126 13.556 -2.885 356 HA SER 48 HA SER 48 1.748 15.518 -2.347 357 1HB SER 48 1HB SER 48 -0.795 14.704 -0.966 358 2HB SER 48 2HB SER 48 0.188 16.023 -0.331 359 HG SER 48 HG SER 48 -0.816 15.871 -2.982 360 H HIS 49 H HIS 49 0.857 12.713 -0.385 361 HA HIS 49 HA HIS 49 2.821 13.371 1.643 362 1HB HIS 49 1HB HIS 49 0.794 11.182 1.305 363 2HB HIS 49 2HB HIS 49 2.007 11.114 2.579 364 HD1 HIS 49 HD1 HIS 49 -1.319 12.331 1.853 365 HD2 HIS 49 HD2 HIS 49 1.819 13.479 4.366 366 HE1 HIS 49 HE1 HIS 49 -2.340 13.844 3.613 367 HE2 HIS 49 HE2 HIS 49 -0.422 14.554 5.082 368 H ASN 50 H ASN 50 2.856 11.768 -1.314 369 HA ASN 50 HA ASN 50 4.455 10.577 -2.399 370 1HB ASN 50 1HB ASN 50 6.137 10.914 0.093 371 2HB ASN 50 2HB ASN 50 6.710 10.478 -1.513 372 1HD2 ASN 50 1HD2 ASN 50 6.214 12.099 -3.241 373 2HD2 ASN 50 2HD2 ASN 50 6.385 13.768 -2.826 374 H ILE 51 H ILE 51 2.446 9.118 -1.245 375 HA ILE 51 HA ILE 51 3.812 6.794 -0.055 376 HB ILE 51 HB ILE 51 0.840 7.313 -0.063 377 1HG1 ILE 51 1HG1 ILE 51 2.494 7.662 2.400 378 2HG1 ILE 51 2HG1 ILE 51 2.454 8.976 1.227 379 1HG2 ILE 51 1HG2 ILE 51 1.250 5.028 0.276 380 2HG2 ILE 51 2HG2 ILE 51 0.995 5.690 1.890 381 3HG2 ILE 51 3HG2 ILE 51 2.630 5.344 1.327 382 1HD1 ILE 51 1HD1 ILE 51 0.515 9.648 2.039 383 2HD1 ILE 51 2HD1 ILE 51 0.575 8.359 3.235 384 3HD1 ILE 51 3HD1 ILE 51 -0.206 8.086 1.678 385 HA PRO 52 HA PRO 52 3.118 5.419 -4.420 386 1HB PRO 52 1HB PRO 52 4.744 3.215 -3.246 387 2HB PRO 52 2HB PRO 52 4.908 4.026 -4.806 388 1HG PRO 52 1HG PRO 52 6.577 4.566 -2.795 389 2HG PRO 52 2HG PRO 52 6.024 5.838 -3.899 390 1HD PRO 52 1HD PRO 52 5.218 5.287 -1.089 391 2HD PRO 52 2HD PRO 52 5.328 6.831 -1.953 392 H VAL 53 H VAL 53 1.191 4.535 -4.789 393 HA VAL 53 HA VAL 53 0.548 1.914 -3.795 394 HB VAL 53 HB VAL 53 -1.661 2.603 -2.839 395 1HG1 VAL 53 1HG1 VAL 53 0.653 3.794 -1.330 396 2HG1 VAL 53 2HG1 VAL 53 0.388 2.058 -1.485 397 3HG1 VAL 53 3HG1 VAL 53 -0.811 3.064 -0.671 398 1HG2 VAL 53 1HG2 VAL 53 -0.921 5.121 -3.841 399 2HG2 VAL 53 2HG2 VAL 53 -0.909 5.267 -2.082 400 3HG2 VAL 53 3HG2 VAL 53 -2.363 4.709 -2.911 401 H GLU 54 H GLU 54 -1.665 1.218 -4.634 402 HA GLU 54 HA GLU 54 -2.223 2.565 -7.198 403 1HB GLU 54 1HB GLU 54 -2.711 -0.363 -6.901 404 2HB GLU 54 2HB GLU 54 -2.330 0.566 -8.344 405 1HG GLU 54 1HG GLU 54 -0.045 0.866 -6.937 406 2HG GLU 54 2HG GLU 54 -0.561 -0.731 -6.403 407 H LEU 55 H LEU 55 -4.168 3.467 -7.139 408 HA LEU 55 HA LEU 55 -6.221 2.390 -5.387 409 1HB LEU 55 1HB LEU 55 -5.564 4.866 -5.640 410 2HB LEU 55 2HB LEU 55 -6.464 4.812 -7.144 411 HG LEU 55 HG LEU 55 -7.726 4.002 -4.542 412 1HD1 LEU 55 1HD1 LEU 55 -6.796 6.270 -4.298 413 2HD1 LEU 55 2HD1 LEU 55 -8.558 6.250 -4.283 414 3HD1 LEU 55 3HD1 LEU 55 -7.696 6.769 -5.731 415 1HD2 LEU 55 1HD2 LEU 55 -8.555 4.279 -7.309 416 2HD2 LEU 55 2HD2 LEU 55 -9.569 5.215 -6.211 417 3HD2 LEU 55 3HD2 LEU 55 -9.364 3.481 -5.960 418 H ILE 56 H ILE 56 -7.446 0.821 -6.179 419 HA ILE 56 HA ILE 56 -8.218 0.896 -9.016 420 HB ILE 56 HB ILE 56 -6.992 -1.114 -8.305 421 1HG1 ILE 56 1HG1 ILE 56 -9.701 -2.197 -8.788 422 2HG1 ILE 56 2HG1 ILE 56 -9.126 -1.004 -9.949 423 1HG2 ILE 56 1HG2 ILE 56 -8.755 -2.667 -6.927 424 2HG2 ILE 56 2HG2 ILE 56 -8.956 -1.086 -6.175 425 3HG2 ILE 56 3HG2 ILE 56 -7.361 -1.829 -6.247 426 1HD1 ILE 56 1HD1 ILE 56 -7.722 -2.452 -10.890 427 2HD1 ILE 56 2HD1 ILE 56 -8.631 -3.693 -10.028 428 3HD1 ILE 56 3HD1 ILE 56 -7.146 -3.044 -9.333 429 H GLN 57 H GLN 57 -10.408 0.455 -9.598 430 HA GLN 57 HA GLN 57 -12.319 0.962 -7.420 431 1HB GLN 57 1HB GLN 57 -13.765 1.881 -9.330 432 2HB GLN 57 2HB GLN 57 -12.400 2.860 -8.808 433 1HG GLN 57 1HG GLN 57 -11.494 2.811 -10.828 434 2HG GLN 57 2HG GLN 57 -11.616 1.054 -10.910 435 1HE2 GLN 57 1HE2 GLN 57 -13.649 0.148 -11.613 436 2HE2 GLN 57 2HE2 GLN 57 -14.635 1.030 -12.724 437 H CYS 58 H CYS 58 -14.305 -0.200 -7.465 438 HA CYS 58 HA CYS 58 -14.806 -2.148 -9.521 439 1HB CYS 58 1HB CYS 58 -13.514 -2.899 -6.964 440 2HB CYS 58 2HB CYS 58 -14.866 -3.909 -7.467 441 HG CYS 58 HG CYS 58 -13.125 -5.073 -8.756 442 H ARG 59 H ARG 59 -16.812 -3.500 -8.919 443 HA ARG 59 HA ARG 59 -18.782 -1.693 -7.847 444 1HB ARG 59 1HB ARG 59 -18.989 -4.485 -8.984 445 2HB ARG 59 2HB ARG 59 -20.370 -3.545 -8.446 446 1HG ARG 59 1HG ARG 59 -20.511 -2.749 -10.504 447 2HG ARG 59 2HG ARG 59 -19.028 -1.848 -10.179 448 1HD ARG 59 1HD ARG 59 -17.705 -3.732 -11.004 449 2HD ARG 59 2HD ARG 59 -19.183 -4.635 -11.322 450 HE ARG 59 HE ARG 59 -18.216 -2.299 -12.804 451 1HH1 ARG 59 1HH1 ARG 59 -20.552 -4.875 -12.445 452 2HH1 ARG 59 2HH1 ARG 59 -21.182 -4.690 -14.045 453 1HH2 ARG 59 1HH2 ARG 59 -19.054 -2.061 -14.908 454 2HH2 ARG 59 2HH2 ARG 59 -20.336 -3.097 -15.440 455 H VAL 60 H VAL 60 -20.603 -3.429 -6.682 456 HA VAL 60 HA VAL 60 -19.515 -3.658 -4.043 457 HB VAL 60 HB VAL 60 -22.190 -4.726 -4.919 458 1HG1 VAL 60 1HG1 VAL 60 -21.670 -5.361 -2.703 459 2HG1 VAL 60 2HG1 VAL 60 -22.768 -3.987 -2.570 460 3HG1 VAL 60 3HG1 VAL 60 -21.038 -3.760 -2.314 461 1HG2 VAL 60 1HG2 VAL 60 -22.348 -2.087 -3.792 462 2HG2 VAL 60 2HG2 VAL 60 -22.973 -2.684 -5.329 463 3HG2 VAL 60 3HG2 VAL 60 -21.323 -2.071 -5.227 464 H ASN 61 H ASN 61 -19.521 -5.735 -6.701 465 HA ASN 61 HA ASN 61 -18.807 -7.980 -4.962 466 1HB ASN 61 1HB ASN 61 -20.685 -8.205 -7.324 467 2HB ASN 61 2HB ASN 61 -20.082 -9.550 -6.361 468 1HD2 ASN 61 1HD2 ASN 61 -20.508 -9.302 -3.959 469 2HD2 ASN 61 2HD2 ASN 61 -22.082 -8.749 -3.516 470 H GLU 62 H GLU 62 -16.742 -6.884 -5.771 471 HA GLU 62 HA GLU 62 -15.728 -8.490 -7.962 472 1HB GLU 62 1HB GLU 62 -16.648 -6.063 -8.666 473 2HB GLU 62 2HB GLU 62 -15.019 -5.622 -8.181 474 1HG GLU 62 1HG GLU 62 -14.284 -6.249 -10.163 475 2HG GLU 62 2HG GLU 62 -14.764 -7.905 -9.794 476 H ILE 63 H ILE 63 -15.123 -6.103 -5.439 477 HA ILE 63 HA ILE 63 -12.340 -6.152 -5.386 478 HB ILE 63 HB ILE 63 -13.928 -6.039 -2.841 479 1HG1 ILE 63 1HG1 ILE 63 -13.799 -3.423 -3.665 480 2HG1 ILE 63 2HG1 ILE 63 -14.162 -4.264 -5.169 481 1HG2 ILE 63 1HG2 ILE 63 -11.874 -4.039 -3.326 482 2HG2 ILE 63 2HG2 ILE 63 -11.262 -5.692 -3.416 483 3HG2 ILE 63 3HG2 ILE 63 -12.091 -5.137 -1.963 484 1HD1 ILE 63 1HD1 ILE 63 -15.771 -4.129 -2.653 485 2HD1 ILE 63 2HD1 ILE 63 -16.024 -5.414 -3.835 486 3HD1 ILE 63 3HD1 ILE 63 -16.241 -3.730 -4.303 487 H GLU 64 H GLU 64 -14.670 -8.300 -3.840 488 HA GLU 64 HA GLU 64 -12.918 -9.800 -2.273 489 1HB GLU 64 1HB GLU 64 -15.352 -9.938 -2.060 490 2HB GLU 64 2HB GLU 64 -15.460 -10.695 -3.643 491 1HG GLU 64 1HG GLU 64 -13.958 -12.518 -2.675 492 2HG GLU 64 2HG GLU 64 -14.346 -11.823 -1.102 493 H THR 65 H THR 65 -13.866 -10.194 -5.657 494 HA THR 65 HA THR 65 -12.366 -12.612 -6.011 495 HB THR 65 HB THR 65 -13.326 -10.780 -8.204 496 HG1 THR 65 HG1 THR 65 -15.073 -11.156 -6.831 497 1HG2 THR 65 1HG2 THR 65 -11.950 -13.084 -8.430 498 2HG2 THR 65 2HG2 THR 65 -13.109 -12.497 -9.622 499 3HG2 THR 65 3HG2 THR 65 -13.604 -13.690 -8.422 500 H TYR 66 H TYR 66 -11.826 -9.191 -6.612 501 HA TYR 66 HA TYR 66 -9.248 -9.700 -7.850 502 1HB TYR 66 1HB TYR 66 -10.787 -7.175 -7.254 503 2HB TYR 66 2HB TYR 66 -9.143 -7.155 -7.883 504 HD1 TYR 66 HD1 TYR 66 -8.921 -6.903 -10.163 505 HD2 TYR 66 HD2 TYR 66 -12.398 -8.828 -8.654 506 HE1 TYR 66 HE1 TYR 66 -9.796 -7.110 -12.452 507 HE2 TYR 66 HE2 TYR 66 -13.284 -9.038 -10.931 508 HH TYR 66 HH TYR 66 -12.909 -7.718 -13.183 509 H MET 67 H MET 67 -10.075 -10.090 -4.847 510 HA MET 67 HA MET 67 -8.299 -8.347 -3.436 511 1HB MET 67 1HB MET 67 -10.406 -10.045 -2.753 512 2HB MET 67 2HB MET 67 -8.992 -10.758 -1.988 513 1HG MET 67 1HG MET 67 -9.852 -7.891 -1.688 514 2HG MET 67 2HG MET 67 -10.198 -9.179 -0.539 515 1HE MET 67 1HE MET 67 -9.449 -7.457 0.988 516 2HE MET 67 2HE MET 67 -7.779 -7.070 1.400 517 3HE MET 67 3HE MET 67 -8.456 -8.638 1.841 518 H ASP 68 H ASP 68 -6.793 -9.447 -5.424 519 HA ASP 68 HA ASP 68 -5.388 -11.779 -4.545 520 1HB ASP 68 1HB ASP 68 -5.031 -9.808 -6.784 521 2HB ASP 68 2HB ASP 68 -3.784 -11.002 -6.436 522 H GLY 69 H GLY 69 -4.732 -8.298 -4.583 523 1HA GLY 69 1HA GLY 69 -2.809 -8.669 -2.426 524 2HA GLY 69 2HA GLY 69 -2.175 -7.997 -3.920 525 H VAL 70 H VAL 70 -4.944 -7.493 -1.724 526 HA VAL 70 HA VAL 70 -4.689 -4.606 -2.189 527 HB VAL 70 HB VAL 70 -6.952 -6.066 -0.833 528 1HG1 VAL 70 1HG1 VAL 70 -8.194 -4.005 -1.284 529 2HG1 VAL 70 2HG1 VAL 70 -6.731 -3.269 -1.929 530 3HG1 VAL 70 3HG1 VAL 70 -6.812 -3.730 -0.229 531 1HG2 VAL 70 1HG2 VAL 70 -7.573 -6.796 -2.833 532 2HG2 VAL 70 2HG2 VAL 70 -6.278 -5.907 -3.629 533 3HG2 VAL 70 3HG2 VAL 70 -7.821 -5.121 -3.310 534 H HIS 71 H HIS 71 -4.001 -3.278 -0.629 535 HA HIS 71 HA HIS 71 -3.396 -4.433 1.985 536 1HB HIS 71 1HB HIS 71 -2.420 -2.021 0.494 537 2HB HIS 71 2HB HIS 71 -2.220 -2.119 2.241 538 HD1 HIS 71 HD1 HIS 71 -1.226 -3.931 -0.938 539 HD2 HIS 71 HD2 HIS 71 -0.139 -3.687 3.091 540 HE1 HIS 71 HE1 HIS 71 0.924 -5.254 -0.707 541 HE2 HIS 71 HE2 HIS 71 1.494 -5.176 1.747 542 H LEU 72 H LEU 72 -5.614 -2.303 0.451 543 HA LEU 72 HA LEU 72 -7.012 -1.900 2.950 544 1HB LEU 72 1HB LEU 72 -5.478 0.242 1.615 545 2HB LEU 72 2HB LEU 72 -7.103 0.671 2.111 546 HG LEU 72 HG LEU 72 -5.387 -0.663 4.133 547 1HD1 LEU 72 1HD1 LEU 72 -4.986 2.177 3.209 548 2HD1 LEU 72 2HD1 LEU 72 -3.795 0.877 3.209 549 3HD1 LEU 72 3HD1 LEU 72 -4.388 1.531 4.736 550 1HD2 LEU 72 1HD2 LEU 72 -7.581 -0.108 4.813 551 2HD2 LEU 72 2HD2 LEU 72 -7.472 1.504 4.105 552 3HD2 LEU 72 3HD2 LEU 72 -6.526 1.104 5.539 553 H ILE 73 H ILE 73 -9.206 -1.472 2.663 554 HA ILE 73 HA ILE 73 -10.107 -1.222 -0.133 555 HB ILE 73 HB ILE 73 -12.092 -2.569 1.432 556 1HG1 ILE 73 1HG1 ILE 73 -10.095 -3.329 2.743 557 2HG1 ILE 73 2HG1 ILE 73 -10.997 -4.619 1.975 558 1HG2 ILE 73 1HG2 ILE 73 -10.897 -4.231 -0.567 559 2HG2 ILE 73 2HG2 ILE 73 -11.054 -2.581 -1.167 560 3HG2 ILE 73 3HG2 ILE 73 -12.471 -3.435 -0.562 561 1HD1 ILE 73 1HD1 ILE 73 -9.168 -4.141 0.077 562 2HD1 ILE 73 2HD1 ILE 73 -8.959 -5.319 1.369 563 3HD1 ILE 73 3HD1 ILE 73 -8.249 -3.714 1.518 564 H CYS 74 H CYS 74 -11.792 0.146 -0.524 565 HA CYS 74 HA CYS 74 -13.025 1.444 1.811 566 1HB CYS 74 1HB CYS 74 -11.208 2.716 0.264 567 2HB CYS 74 2HB CYS 74 -12.684 3.102 -0.615 568 HG CYS 74 HG CYS 74 -12.671 3.754 2.398 569 H THR 75 H THR 75 -15.060 0.715 1.788 570 HA THR 75 HA THR 75 -16.601 1.060 -0.690 571 HB THR 75 HB THR 75 -17.867 -1.033 -0.088 572 HG1 THR 75 HG1 THR 75 -15.636 -1.528 1.585 573 1HG2 THR 75 1HG2 THR 75 -15.110 -1.995 -0.437 574 2HG2 THR 75 2HG2 THR 75 -15.690 -0.835 -1.632 575 3HG2 THR 75 3HG2 THR 75 -16.568 -2.340 -1.367 576 H THR 76 H THR 76 -18.753 1.637 -0.430 577 HA THR 76 HA THR 76 -19.607 2.243 2.321 578 HB THR 76 HB THR 76 -18.919 4.318 1.257 579 HG1 THR 76 HG1 THR 76 -21.351 3.872 2.194 580 1HG2 THR 76 1HG2 THR 76 -19.841 3.227 -1.103 581 2HG2 THR 76 2HG2 THR 76 -19.283 4.881 -0.851 582 3HG2 THR 76 3HG2 THR 76 -21.002 4.504 -0.736 583 H ALA 77 H ALA 77 -20.346 -0.109 1.240 584 HA ALA 77 HA ALA 77 -23.085 0.315 0.250 585 1HB ALA 77 1HB ALA 77 -22.991 -1.735 -0.856 586 2HB ALA 77 2HB ALA 77 -21.621 -2.295 0.102 587 3HB ALA 77 3HB ALA 77 -21.392 -1.037 -1.113 588 H ARG 78 H ARG 78 -21.522 -0.257 3.069 589 HA ARG 78 HA ARG 78 -22.287 -0.842 5.132 590 1HB ARG 78 1HB ARG 78 -24.758 -0.898 3.563 591 2HB ARG 78 2HB ARG 78 -24.771 -1.996 4.934 592 1HG ARG 78 1HG ARG 78 -23.753 0.260 6.060 593 2HG ARG 78 2HG ARG 78 -24.848 0.931 4.852 594 1HD ARG 78 1HD ARG 78 -26.576 0.496 6.175 595 2HD ARG 78 2HD ARG 78 -26.177 -1.222 6.139 596 HE ARG 78 HE ARG 78 -25.845 0.522 8.325 597 1HH1 ARG 78 1HH1 ARG 78 -24.196 -2.072 6.672 598 2HH1 ARG 78 2HH1 ARG 78 -23.342 -2.596 8.078 599 1HH2 ARG 78 1HH2 ARG 78 -24.725 -0.186 10.186 600 2HH2 ARG 78 2HH2 ARG 78 -23.645 -1.535 10.069 601 H VAL 79 H VAL 79 -20.522 -2.434 4.363 602 HA VAL 79 HA VAL 79 -21.420 -5.162 4.017 603 HB VAL 79 HB VAL 79 -18.979 -5.706 4.103 604 1HG1 VAL 79 1HG1 VAL 79 -19.873 -3.591 2.153 605 2HG1 VAL 79 2HG1 VAL 79 -20.016 -5.339 1.970 606 3HG1 VAL 79 3HG1 VAL 79 -18.425 -4.579 1.961 607 1HG2 VAL 79 1HG2 VAL 79 -18.793 -3.197 5.316 608 2HG2 VAL 79 2HG2 VAL 79 -18.036 -3.008 3.735 609 3HG2 VAL 79 3HG2 VAL 79 -17.464 -4.256 4.842 610 H ASP 80 H ASP 80 -19.815 -6.727 5.465 611 HA ASP 80 HA ASP 80 -20.706 -6.205 8.205 612 1HB ASP 80 1HB ASP 80 -19.720 -8.748 6.899 613 2HB ASP 80 2HB ASP 80 -20.249 -8.614 8.573 614 H ARG 81 H ARG 81 -17.849 -6.391 6.290 615 HA ARG 81 HA ARG 81 -15.613 -6.393 6.788 616 1HB ARG 81 1HB ARG 81 -14.964 -4.643 8.383 617 2HB ARG 81 2HB ARG 81 -16.225 -4.093 7.288 618 1HG ARG 81 1HG ARG 81 -17.841 -4.092 8.943 619 2HG ARG 81 2HG ARG 81 -16.911 -5.170 9.985 620 1HD ARG 81 1HD ARG 81 -15.396 -2.798 9.467 621 2HD ARG 81 2HD ARG 81 -17.002 -2.356 10.044 622 HE ARG 81 HE ARG 81 -14.942 -3.268 11.642 623 1HH1 ARG 81 1HH1 ARG 81 -18.299 -4.063 11.070 624 2HH1 ARG 81 2HH1 ARG 81 -18.529 -4.750 12.640 625 1HH2 ARG 81 1HH2 ARG 81 -15.262 -4.154 13.715 626 2HH2 ARG 81 2HH2 ARG 81 -16.814 -4.796 14.140 627 H SER 82 H SER 82 -16.847 -8.648 7.867 628 HA SER 82 HA SER 82 -15.211 -9.054 10.278 629 1HB SER 82 1HB SER 82 -18.059 -9.956 9.821 630 2HB SER 82 2HB SER 82 -17.028 -10.619 11.090 631 HG SER 82 HG SER 82 -16.926 -8.608 12.036 632 H PHE 83 H PHE 83 -15.475 -9.844 7.170 633 HA PHE 83 HA PHE 83 -15.040 -12.712 7.492 634 1HB PHE 83 1HB PHE 83 -15.122 -12.786 5.014 635 2HB PHE 83 2HB PHE 83 -16.578 -12.102 5.726 636 HD1 PHE 83 HD1 PHE 83 -13.900 -11.609 3.416 637 HD2 PHE 83 HD2 PHE 83 -16.822 -9.571 5.746 638 HE1 PHE 83 HE1 PHE 83 -13.666 -9.630 1.974 639 HE2 PHE 83 HE2 PHE 83 -16.591 -7.589 4.310 640 HZ PHE 83 HZ PHE 83 -15.013 -7.616 2.420 641 H GLY 84 H GLY 84 -13.049 -13.381 7.864 642 1HA GLY 84 1HA GLY 84 -10.779 -13.671 7.623 643 2HA GLY 84 2HA GLY 84 -10.872 -12.699 6.160 644 H ASP 85 H ASP 85 -9.678 -10.921 6.221 645 HA ASP 85 HA ASP 85 -9.631 -9.294 8.633 646 1HB ASP 85 1HB ASP 85 -7.212 -9.160 8.727 647 2HB ASP 85 2HB ASP 85 -7.698 -10.847 8.844 648 H ILE 86 H ILE 86 -10.568 -9.230 5.759 649 HA ILE 86 HA ILE 86 -9.116 -7.540 4.146 650 HB ILE 86 HB ILE 86 -11.188 -8.649 3.442 651 1HG1 ILE 86 1HG1 ILE 86 -11.734 -5.729 3.119 652 2HG1 ILE 86 2HG1 ILE 86 -10.248 -6.400 2.456 653 1HG2 ILE 86 1HG2 ILE 86 -12.249 -7.545 5.753 654 2HG2 ILE 86 2HG2 ILE 86 -13.132 -8.420 4.503 655 3HG2 ILE 86 3HG2 ILE 86 -13.037 -6.661 4.447 656 1HD1 ILE 86 1HD1 ILE 86 -11.419 -7.779 0.965 657 2HD1 ILE 86 2HD1 ILE 86 -12.241 -6.220 0.903 658 3HD1 ILE 86 3HD1 ILE 86 -12.942 -7.550 1.823 659 HA PRO 87 HA PRO 87 -9.194 -3.957 6.969 660 1HB PRO 87 1HB PRO 87 -7.234 -2.588 5.683 661 2HB PRO 87 2HB PRO 87 -6.899 -3.884 6.838 662 1HG PRO 87 1HG PRO 87 -6.967 -3.991 3.842 663 2HG PRO 87 2HG PRO 87 -5.776 -4.687 4.957 664 1HD PRO 87 1HD PRO 87 -7.729 -6.181 3.848 665 2HD PRO 87 2HD PRO 87 -7.137 -6.474 5.493 666 H LEU 88 H LEU 88 -11.375 -3.786 5.724 667 HA LEU 88 HA LEU 88 -11.246 -1.737 3.642 668 1HB LEU 88 1HB LEU 88 -13.790 -2.250 3.565 669 2HB LEU 88 2HB LEU 88 -12.651 -3.387 2.871 670 HG LEU 88 HG LEU 88 -12.824 -4.820 4.803 671 1HD1 LEU 88 1HD1 LEU 88 -14.569 -4.277 6.519 672 2HD1 LEU 88 2HD1 LEU 88 -14.559 -2.631 5.896 673 3HD1 LEU 88 3HD1 LEU 88 -13.094 -3.322 6.598 674 1HD2 LEU 88 1HD2 LEU 88 -14.423 -5.258 3.091 675 2HD2 LEU 88 2HD2 LEU 88 -15.466 -3.951 3.655 676 3HD2 LEU 88 3HD2 LEU 88 -15.252 -5.397 4.642 677 H VAL 89 H VAL 89 -12.712 0.103 3.734 678 HA VAL 89 HA VAL 89 -13.666 0.816 6.408 679 HB VAL 89 HB VAL 89 -12.710 3.155 6.030 680 1HG1 VAL 89 1HG1 VAL 89 -10.842 2.657 7.305 681 2HG1 VAL 89 2HG1 VAL 89 -10.546 1.136 6.461 682 3HG1 VAL 89 3HG1 VAL 89 -11.887 1.267 7.598 683 1HG2 VAL 89 1HG2 VAL 89 -11.636 3.535 4.121 684 2HG2 VAL 89 2HG2 VAL 89 -11.702 1.827 3.688 685 3HG2 VAL 89 3HG2 VAL 89 -10.369 2.437 4.666 686 H HIS 90 H HIS 90 -15.195 2.539 6.442 687 HA HIS 90 HA HIS 90 -16.724 2.702 3.963 688 1HB HIS 90 1HB HIS 90 -17.354 3.066 6.859 689 2HB HIS 90 2HB HIS 90 -18.382 3.845 5.659 690 HD1 HIS 90 HD1 HIS 90 -20.409 2.494 5.417 691 HD2 HIS 90 HD2 HIS 90 -16.971 0.138 5.711 692 HE1 HIS 90 HE1 HIS 90 -21.161 0.105 5.115 693 HE2 HIS 90 HE2 HIS 90 -19.062 -1.279 5.161 694 H GLY 91 H GLY 91 -17.561 4.685 3.166 695 1HA GLY 91 1HA GLY 91 -15.976 7.040 3.991 696 2HA GLY 91 2HA GLY 91 -16.370 6.692 2.314 697 H MET 92 H MET 92 -18.554 6.355 5.064 698 HA MET 92 HA MET 92 -20.681 7.656 3.815 699 1HB MET 92 1HB MET 92 -21.026 6.156 5.698 700 2HB MET 92 2HB MET 92 -20.164 7.252 6.766 701 1HG MET 92 1HG MET 92 -22.349 8.582 5.422 702 2HG MET 92 2HG MET 92 -22.896 7.162 6.311 703 1HE MET 92 1HE MET 92 -22.023 7.555 9.771 704 2HE MET 92 2HE MET 92 -20.390 7.855 9.173 705 3HE MET 92 3HE MET 92 -21.401 6.635 8.399 706 HA PRO 93 HA PRO 93 -19.482 11.628 6.273 707 1HB PRO 93 1HB PRO 93 -16.997 11.800 7.317 708 2HB PRO 93 2HB PRO 93 -18.350 11.082 8.200 709 1HG PRO 93 1HG PRO 93 -16.149 9.736 6.691 710 2HG PRO 93 2HG PRO 93 -16.853 9.308 8.259 711 1HD PRO 93 1HD PRO 93 -17.499 8.062 5.929 712 2HD PRO 93 2HD PRO 93 -18.614 8.203 7.299 713 H PHE 94 H PHE 94 -16.986 10.008 4.405 714 HA PHE 94 HA PHE 94 -15.694 12.335 3.460 715 1HB PHE 94 1HB PHE 94 -15.156 9.677 3.336 716 2HB PHE 94 2HB PHE 94 -15.710 9.965 1.694 717 HD1 PHE 94 HD1 PHE 94 -14.252 12.947 2.860 718 HD2 PHE 94 HD2 PHE 94 -13.255 9.052 1.463 719 HE1 PHE 94 HE1 PHE 94 -12.012 13.735 2.254 720 HE2 PHE 94 HE2 PHE 94 -11.016 9.852 0.864 721 HZ PHE 94 HZ PHE 94 -10.389 12.194 1.251 722 H VAL 95 H VAL 95 -18.449 10.484 2.322 723 HA VAL 95 HA VAL 95 -18.647 11.869 -0.184 724 HB VAL 95 HB VAL 95 -20.825 10.282 1.173 725 1HG1 VAL 95 1HG1 VAL 95 -20.590 11.646 -1.350 726 2HG1 VAL 95 2HG1 VAL 95 -21.991 10.853 -0.632 727 3HG1 VAL 95 3HG1 VAL 95 -20.852 9.921 -1.602 728 1HG2 VAL 95 1HG2 VAL 95 -19.875 8.319 0.599 729 2HG2 VAL 95 2HG2 VAL 95 -18.379 9.250 0.665 730 3HG2 VAL 95 3HG2 VAL 95 -19.176 8.969 -0.883 731 H SER 96 H SER 96 -19.694 12.466 3.041 732 HA SER 96 HA SER 96 -21.948 14.072 2.532 733 1HB SER 96 1HB SER 96 -21.909 14.592 4.791 734 2HB SER 96 2HB SER 96 -20.984 13.091 4.778 735 HG SER 96 HG SER 96 -19.081 14.499 4.611 736 H GLY 97 H GLY 97 -18.505 14.809 2.747 737 1HA GLY 97 1HA GLY 97 -17.413 16.541 1.626 738 2HA GLY 97 2HA GLY 97 -18.967 17.273 1.272 739 H VAL 98 H VAL 98 -19.430 16.751 4.344 740 HA VAL 98 HA VAL 98 -18.415 19.375 5.125 741 HB VAL 98 HB VAL 98 -20.835 18.829 5.412 742 1HG1 VAL 98 1HG1 VAL 98 -21.368 17.452 7.484 743 2HG1 VAL 98 2HG1 VAL 98 -19.723 16.830 7.361 744 3HG1 VAL 98 3HG1 VAL 98 -20.866 16.567 6.043 745 1HG2 VAL 98 1HG2 VAL 98 -19.544 20.539 6.762 746 2HG2 VAL 98 2HG2 VAL 98 -19.520 19.349 8.064 747 3HG2 VAL 98 3HG2 VAL 98 -21.058 19.969 7.463 748 H GLY 99 H GLY 99 -17.518 16.163 5.435 749 1HA GLY 99 1HA GLY 99 -15.926 16.801 7.838 750 2HA GLY 99 2HA GLY 99 -16.697 15.234 7.636 751 H ILE 100 H ILE 100 -15.444 16.726 4.806 752 HA ILE 100 HA ILE 100 -13.729 14.601 4.175 753 HB ILE 100 HB ILE 100 -13.869 17.430 3.134 754 1HG1 ILE 100 1HG1 ILE 100 -14.663 14.835 1.807 755 2HG1 ILE 100 2HG1 ILE 100 -15.783 15.843 2.720 756 1HG2 ILE 100 1HG2 ILE 100 -12.049 15.196 2.339 757 2HG2 ILE 100 2HG2 ILE 100 -11.673 16.892 2.617 758 3HG2 ILE 100 3HG2 ILE 100 -12.553 16.411 1.167 759 1HD1 ILE 100 1HD1 ILE 100 -15.870 17.443 1.108 760 2HD1 ILE 100 2HD1 ILE 100 -15.551 16.030 0.101 761 3HD1 ILE 100 3HD1 ILE 100 -14.234 17.119 0.538 762 H GLU 101 H GLU 101 -12.995 17.877 5.341 763 HA GLU 101 HA GLU 101 -10.224 17.637 5.454 764 1HB GLU 101 1HB GLU 101 -12.099 19.297 7.142 765 2HB GLU 101 2HB GLU 101 -10.353 19.502 7.114 766 1HG GLU 101 1HG GLU 101 -11.271 19.542 4.434 767 2HG GLU 101 2HG GLU 101 -12.308 20.609 5.380 768 H ALA 102 H ALA 102 -12.586 17.191 8.094 769 HA ALA 102 HA ALA 102 -10.751 16.434 10.061 770 1HB ALA 102 1HB ALA 102 -12.712 16.830 11.086 771 2HB ALA 102 2HB ALA 102 -12.984 15.107 10.826 772 3HB ALA 102 3HB ALA 102 -13.663 16.286 9.704 773 H LEU 103 H LEU 103 -12.559 14.467 7.733 774 HA LEU 103 HA LEU 103 -11.563 11.981 8.728 775 1HB LEU 103 1HB LEU 103 -13.670 12.017 7.576 776 2HB LEU 103 2HB LEU 103 -12.941 12.741 6.157 777 HG LEU 103 HG LEU 103 -11.809 10.710 5.595 778 1HD1 LEU 103 1HD1 LEU 103 -11.609 8.830 6.940 779 2HD1 LEU 103 2HD1 LEU 103 -12.949 9.308 7.982 780 3HD1 LEU 103 3HD1 LEU 103 -11.405 10.152 8.087 781 1HD2 LEU 103 1HD2 LEU 103 -13.872 10.469 4.676 782 2HD2 LEU 103 2HD2 LEU 103 -14.698 10.599 6.226 783 3HD2 LEU 103 3HD2 LEU 103 -13.905 9.089 5.775 784 H GLN 104 H GLN 104 -10.623 14.224 6.203 785 HA GLN 104 HA GLN 104 -8.740 12.582 4.897 786 1HB GLN 104 1HB GLN 104 -9.709 14.731 4.021 787 2HB GLN 104 2HB GLN 104 -8.660 15.593 5.137 788 1HG GLN 104 1HG GLN 104 -6.918 15.411 3.777 789 2HG GLN 104 2HG GLN 104 -7.192 13.686 3.535 790 1HE2 GLN 104 1HE2 GLN 104 -7.981 16.899 2.407 791 2HE2 GLN 104 2HE2 GLN 104 -8.555 16.420 0.849 792 H ASN 105 H ASN 105 -8.244 15.165 7.316 793 HA ASN 105 HA ASN 105 -5.501 14.737 7.635 794 1HB ASN 105 1HB ASN 105 -7.440 15.795 9.694 795 2HB ASN 105 2HB ASN 105 -5.694 16.028 9.690 796 1HD2 ASN 105 1HD2 ASN 105 -8.061 17.878 9.506 797 2HD2 ASN 105 2HD2 ASN 105 -7.720 18.871 8.135 798 H LYS 106 H LYS 106 -8.263 13.135 9.082 799 HA LYS 106 HA LYS 106 -6.761 11.796 11.104 800 1HB LYS 106 1HB LYS 106 -9.536 11.841 10.165 801 2HB LYS 106 2HB LYS 106 -9.012 10.255 10.715 802 1HG LYS 106 1HG LYS 106 -8.413 11.141 12.869 803 2HG LYS 106 2HG LYS 106 -8.755 12.785 12.327 804 1HD LYS 106 1HD LYS 106 -11.081 11.311 11.800 805 2HD LYS 106 2HD LYS 106 -10.546 10.801 13.402 806 1HE LYS 106 1HE LYS 106 -11.594 12.630 14.148 807 2HE LYS 106 2HE LYS 106 -10.215 13.520 13.505 808 1HZ LYS 106 1HZ LYS 106 -12.928 13.520 12.634 809 2HZ LYS 106 2HZ LYS 106 -11.880 13.150 11.359 810 3HZ LYS 106 3HZ LYS 106 -11.672 14.581 12.234 811 H ILE 107 H ILE 107 -7.883 10.924 7.851 812 HA ILE 107 HA ILE 107 -7.028 8.235 7.972 813 HB ILE 107 HB ILE 107 -8.620 9.287 6.264 814 1HG1 ILE 107 1HG1 ILE 107 -8.035 7.617 4.562 815 2HG1 ILE 107 2HG1 ILE 107 -6.442 7.428 5.288 816 1HG2 ILE 107 1HG2 ILE 107 -7.751 10.193 4.265 817 2HG2 ILE 107 2HG2 ILE 107 -6.096 9.767 4.705 818 3HG2 ILE 107 3HG2 ILE 107 -6.941 11.037 5.580 819 1HD1 ILE 107 1HD1 ILE 107 -8.439 5.776 5.801 820 2HD1 ILE 107 2HD1 ILE 107 -8.798 6.993 7.027 821 3HD1 ILE 107 3HD1 ILE 107 -7.228 6.189 7.016 822 H LEU 108 H LEU 108 -5.382 11.207 6.983 823 HA LEU 108 HA LEU 108 -3.082 9.843 5.979 824 1HB LEU 108 1HB LEU 108 -2.117 11.951 5.630 825 2HB LEU 108 2HB LEU 108 -3.829 12.172 5.334 826 HG LEU 108 HG LEU 108 -3.850 12.962 7.842 827 1HD1 LEU 108 1HD1 LEU 108 -1.103 12.499 7.458 828 2HD1 LEU 108 2HD1 LEU 108 -1.892 13.255 8.842 829 3HD1 LEU 108 3HD1 LEU 108 -1.318 14.248 7.503 830 1HD2 LEU 108 1HD2 LEU 108 -2.637 14.799 5.803 831 2HD2 LEU 108 2HD2 LEU 108 -3.780 15.182 7.090 832 3HD2 LEU 108 3HD2 LEU 108 -4.308 14.246 5.691 833 H THR 109 H THR 109 -3.858 11.450 9.042 834 HA THR 109 HA THR 109 -1.337 11.234 10.233 835 HB THR 109 HB THR 109 -4.041 11.132 11.585 836 HG1 THR 109 HG1 THR 109 -3.367 13.005 10.143 837 1HG2 THR 109 1HG2 THR 109 -2.016 12.535 13.038 838 2HG2 THR 109 2HG2 THR 109 -1.500 10.879 12.722 839 3HG2 THR 109 3HG2 THR 109 -3.029 11.183 13.546 840 H ILE 110 H ILE 110 -4.073 8.972 10.229 841 HA ILE 110 HA ILE 110 -2.842 7.069 11.935 842 HB ILE 110 HB ILE 110 -5.029 6.595 9.907 843 1HG1 ILE 110 1HG1 ILE 110 -5.686 8.356 11.439 844 2HG1 ILE 110 2HG1 ILE 110 -6.557 6.885 11.849 845 1HG2 ILE 110 1HG2 ILE 110 -5.561 4.833 11.809 846 2HG2 ILE 110 2HG2 ILE 110 -3.822 4.954 12.069 847 3HG2 ILE 110 3HG2 ILE 110 -4.446 4.467 10.493 848 1HD1 ILE 110 1HD1 ILE 110 -4.556 6.575 13.523 849 2HD1 ILE 110 2HD1 ILE 110 -5.937 7.597 13.918 850 3HD1 ILE 110 3HD1 ILE 110 -4.438 8.325 13.342 851 H LEU 111 H LEU 111 -3.052 7.379 8.406 852 HA LEU 111 HA LEU 111 -1.832 4.927 7.775 853 1HB LEU 111 1HB LEU 111 -2.258 7.497 6.321 854 2HB LEU 111 2HB LEU 111 -1.156 6.321 5.634 855 HG LEU 111 HG LEU 111 -4.086 5.897 6.227 856 1HD1 LEU 111 1HD1 LEU 111 -3.726 7.251 4.261 857 2HD1 LEU 111 2HD1 LEU 111 -4.244 5.635 3.779 858 3HD1 LEU 111 3HD1 LEU 111 -2.547 6.094 3.641 859 1HD2 LEU 111 1HD2 LEU 111 -2.010 3.986 6.124 860 2HD2 LEU 111 2HD2 LEU 111 -2.920 3.842 4.622 861 3HD2 LEU 111 3HD2 LEU 111 -3.749 3.705 6.172 862 H GLN 112 H GLN 112 -0.467 8.159 8.284 863 HA GLN 112 HA GLN 112 2.224 7.256 7.779 864 1HB GLN 112 1HB GLN 112 1.366 9.867 9.031 865 2HB GLN 112 2HB GLN 112 2.901 9.511 8.250 866 1HG GLN 112 1HG GLN 112 1.103 8.963 6.266 867 2HG GLN 112 2HG GLN 112 0.349 10.321 7.098 868 1HE2 GLN 112 1HE2 GLN 112 3.571 9.326 5.982 869 2HE2 GLN 112 2HE2 GLN 112 4.007 10.868 5.338 870 H GLY 113 H GLY 113 0.118 7.348 10.482 871 1HA GLY 113 1HA GLY 113 2.282 6.369 12.180 872 2HA GLY 113 2HA GLY 113 1.438 7.810 12.728 Start of MODEL 17 1 1H MET 1 1H MET 1 22.173 -31.709 16.909 2 2H MET 1 2H MET 1 23.177 -31.887 15.529 3 3H MET 1 3H MET 1 21.817 -30.842 15.475 4 HA MET 1 HA MET 1 23.383 -30.085 17.629 5 1HB MET 1 1HB MET 1 25.102 -31.392 16.236 6 2HB MET 1 2HB MET 1 24.948 -30.101 15.053 7 1HG MET 1 1HG MET 1 25.783 -28.489 16.580 8 2HG MET 1 2HG MET 1 25.686 -29.623 17.925 9 1HE MET 1 1HE MET 1 28.574 -30.380 18.685 10 2HE MET 1 2HE MET 1 28.438 -31.891 17.784 11 3HE MET 1 3HE MET 1 27.014 -31.192 18.554 12 H GLY 2 H GLY 2 22.660 -29.562 14.189 13 1HA GLY 2 1HA GLY 2 21.299 -27.772 13.420 14 2HA GLY 2 2HA GLY 2 21.696 -26.880 14.880 15 H SER 3 H SER 3 22.530 -25.034 14.091 16 HA SER 3 HA SER 3 24.971 -25.275 12.475 17 1HB SER 3 1HB SER 3 22.686 -23.349 12.008 18 2HB SER 3 2HB SER 3 24.273 -23.185 11.258 19 HG SER 3 HG SER 3 22.705 -24.309 9.955 20 H SER 4 H SER 4 23.006 -23.164 14.553 21 HA SER 4 HA SER 4 25.066 -22.516 16.305 22 1HB SER 4 1HB SER 4 24.969 -20.847 13.869 23 2HB SER 4 2HB SER 4 25.068 -19.958 15.388 24 HG SER 4 HG SER 4 26.786 -22.135 14.886 25 H HIS 5 H HIS 5 24.498 -20.121 17.313 26 HA HIS 5 HA HIS 5 21.751 -19.396 17.342 27 1HB HIS 5 1HB HIS 5 22.072 -21.708 18.666 28 2HB HIS 5 2HB HIS 5 22.483 -20.596 19.964 29 HD1 HIS 5 HD1 HIS 5 19.863 -22.528 19.509 30 HD2 HIS 5 HD2 HIS 5 20.093 -18.361 19.346 31 HE1 HIS 5 HE1 HIS 5 17.525 -21.669 19.984 32 HE2 HIS 5 HE2 HIS 5 17.684 -19.160 19.812 33 H HIS 6 H HIS 6 21.318 -17.640 18.794 34 HA HIS 6 HA HIS 6 21.808 -15.712 19.885 35 1HB HIS 6 1HB HIS 6 22.782 -17.503 21.518 36 2HB HIS 6 2HB HIS 6 24.342 -16.917 20.948 37 HD1 HIS 6 HD1 HIS 6 21.663 -16.208 23.331 38 HD2 HIS 6 HD2 HIS 6 24.738 -14.070 21.474 39 HE1 HIS 6 HE1 HIS 6 21.944 -14.072 24.668 40 HE2 HIS 6 HE2 HIS 6 23.850 -12.841 23.570 41 H HIS 7 H HIS 7 22.474 -15.747 17.290 42 HA HIS 7 HA HIS 7 25.007 -14.250 17.226 43 1HB HIS 7 1HB HIS 7 24.591 -16.637 15.955 44 2HB HIS 7 2HB HIS 7 24.159 -15.487 14.694 45 HD1 HIS 7 HD1 HIS 7 27.015 -15.759 17.224 46 HD2 HIS 7 HD2 HIS 7 26.318 -14.940 13.184 47 HE1 HIS 7 HE1 HIS 7 29.289 -15.312 16.192 48 HE2 HIS 7 HE2 HIS 7 28.825 -14.721 13.787 49 H HIS 8 H HIS 8 21.860 -14.734 15.653 50 HA HIS 8 HA HIS 8 21.232 -12.000 15.585 51 1HB HIS 8 1HB HIS 8 23.116 -12.426 13.731 52 2HB HIS 8 2HB HIS 8 21.700 -12.869 12.783 53 HD1 HIS 8 HD1 HIS 8 21.527 -10.138 15.349 54 HD2 HIS 8 HD2 HIS 8 21.840 -10.574 11.204 55 HE1 HIS 8 HE1 HIS 8 21.118 -7.836 14.367 56 HE2 HIS 8 HE2 HIS 8 21.405 -8.114 11.878 57 H HIS 9 H HIS 9 19.093 -11.792 15.340 58 HA HIS 9 HA HIS 9 17.604 -14.128 14.357 59 1HB HIS 9 1HB HIS 9 16.418 -11.850 15.931 60 2HB HIS 9 2HB HIS 9 15.792 -13.481 15.730 61 HD1 HIS 9 HD1 HIS 9 15.817 -12.725 18.515 62 HD2 HIS 9 HD2 HIS 9 19.286 -14.142 16.670 63 HE1 HIS 9 HE1 HIS 9 17.318 -13.559 20.381 64 HE2 HIS 9 HE2 HIS 9 19.456 -14.260 19.245 65 H HIS 10 H HIS 10 16.516 -14.003 12.505 66 HA HIS 10 HA HIS 10 15.579 -13.192 10.599 67 1HB HIS 10 1HB HIS 10 15.009 -10.668 12.151 68 2HB HIS 10 2HB HIS 10 14.128 -11.302 10.764 69 HD1 HIS 10 HD1 HIS 10 14.559 -14.237 12.544 70 HD2 HIS 10 HD2 HIS 10 12.266 -10.813 13.251 71 HE1 HIS 10 HE1 HIS 10 12.717 -14.938 14.141 72 HE2 HIS 10 HE2 HIS 10 11.311 -12.875 14.486 73 H HIS 11 H HIS 11 16.952 -12.797 8.997 74 HA HIS 11 HA HIS 11 19.085 -10.913 9.193 75 1HB HIS 11 1HB HIS 11 17.989 -12.485 6.856 76 2HB HIS 11 2HB HIS 11 19.417 -11.461 6.758 77 HD1 HIS 11 HD1 HIS 11 18.183 -14.428 8.819 78 HD2 HIS 11 HD2 HIS 11 21.712 -12.793 7.284 79 HE1 HIS 11 HE1 HIS 11 20.027 -16.075 9.382 80 HE2 HIS 11 HE2 HIS 11 22.150 -15.017 8.531 81 H HIS 12 H HIS 12 16.694 -11.025 6.576 82 HA HIS 12 HA HIS 12 15.596 -8.466 7.037 83 1HB HIS 12 1HB HIS 12 16.667 -7.306 5.078 84 2HB HIS 12 2HB HIS 12 17.744 -7.582 6.445 85 HD1 HIS 12 HD1 HIS 12 16.985 -10.454 4.203 86 HD2 HIS 12 HD2 HIS 12 19.961 -7.559 4.682 87 HE1 HIS 12 HE1 HIS 12 18.951 -11.227 2.802 88 HE2 HIS 12 HE2 HIS 12 20.758 -9.512 3.186 89 H GLU 13 H GLU 13 15.015 -11.272 6.097 90 HA GLU 13 HA GLU 13 13.559 -12.312 4.702 91 1HB GLU 13 1HB GLU 13 12.713 -9.484 4.661 92 2HB GLU 13 2HB GLU 13 12.132 -10.462 3.321 93 1HG GLU 13 1HG GLU 13 11.850 -11.626 6.016 94 2HG GLU 13 2HG GLU 13 10.839 -10.229 5.646 95 H ASN 14 H ASN 14 12.687 -12.046 2.221 96 HA ASN 14 HA ASN 14 15.148 -12.054 0.653 97 1HB ASN 14 1HB ASN 14 13.753 -13.167 -1.077 98 2HB ASN 14 2HB ASN 14 13.751 -14.026 0.461 99 1HD2 ASN 14 1HD2 ASN 14 11.870 -12.690 -1.968 100 2HD2 ASN 14 2HD2 ASN 14 10.335 -12.774 -1.181 101 H LEU 15 H LEU 15 12.056 -10.408 0.854 102 HA LEU 15 HA LEU 15 12.469 -8.914 -1.575 103 1HB LEU 15 1HB LEU 15 10.330 -9.305 0.355 104 2HB LEU 15 2HB LEU 15 10.488 -7.622 -0.109 105 HG LEU 15 HG LEU 15 10.408 -9.684 -2.262 106 1HD1 LEU 15 1HD1 LEU 15 8.550 -10.063 -0.503 107 2HD1 LEU 15 2HD1 LEU 15 8.111 -9.964 -2.208 108 3HD1 LEU 15 3HD1 LEU 15 7.863 -8.575 -1.151 109 1HD2 LEU 15 1HD2 LEU 15 9.245 -7.868 -3.443 110 2HD2 LEU 15 2HD2 LEU 15 10.830 -7.369 -2.849 111 3HD2 LEU 15 3HD2 LEU 15 9.370 -6.865 -1.997 112 H TYR 16 H TYR 16 13.850 -7.284 -1.701 113 HA TYR 16 HA TYR 16 14.203 -5.556 0.658 114 1HB TYR 16 1HB TYR 16 16.174 -7.068 -0.084 115 2HB TYR 16 2HB TYR 16 16.341 -5.936 -1.421 116 HD1 TYR 16 HD1 TYR 16 15.409 -5.129 2.084 117 HD2 TYR 16 HD2 TYR 16 18.405 -4.929 -0.930 118 HE1 TYR 16 HE1 TYR 16 16.740 -3.639 3.515 119 HE2 TYR 16 HE2 TYR 16 19.747 -3.440 0.495 120 HH TYR 16 HH TYR 16 19.184 -3.016 3.756 121 H PHE 17 H PHE 17 12.401 -4.348 -0.293 122 HA PHE 17 HA PHE 17 11.556 -2.553 -1.399 123 1HB PHE 17 1HB PHE 17 14.260 -1.950 -0.857 124 2HB PHE 17 2HB PHE 17 13.958 -1.414 -2.507 125 HD1 PHE 17 HD1 PHE 17 14.017 -0.330 0.734 126 HD2 PHE 17 HD2 PHE 17 11.487 -0.243 -2.688 127 HE1 PHE 17 HE1 PHE 17 12.921 1.697 1.600 128 HE2 PHE 17 HE2 PHE 17 10.388 1.784 -1.829 129 HZ PHE 17 HZ PHE 17 11.104 2.756 0.317 130 H GLN 18 H GLN 18 10.462 -3.520 -3.049 131 HA GLN 18 HA GLN 18 11.913 -3.851 -5.593 132 1HB GLN 18 1HB GLN 18 10.302 -5.681 -4.188 133 2HB GLN 18 2HB GLN 18 9.344 -5.162 -5.567 134 1HG GLN 18 1HG GLN 18 12.110 -5.789 -6.243 135 2HG GLN 18 2HG GLN 18 11.216 -7.154 -5.575 136 1HE2 GLN 18 1HE2 GLN 18 8.690 -6.655 -6.533 137 2HE2 GLN 18 2HE2 GLN 18 8.690 -6.781 -8.255 138 H GLY 19 H GLY 19 8.526 -3.404 -4.568 139 1HA GLY 19 1HA GLY 19 8.162 -0.852 -5.626 140 2HA GLY 19 2HA GLY 19 7.786 -1.997 -6.905 141 H SER 20 H SER 20 5.978 -0.151 -5.652 142 HA SER 20 HA SER 20 3.778 -0.144 -5.052 143 1HB SER 20 1HB SER 20 3.825 -3.139 -4.743 144 2HB SER 20 2HB SER 20 2.474 -2.097 -5.190 145 HG SER 20 HG SER 20 3.177 -3.050 -7.051 146 H LYS 21 H LYS 21 2.325 -0.876 -3.166 147 HA LYS 21 HA LYS 21 3.668 -1.797 -0.807 148 1HB LYS 21 1HB LYS 21 3.690 0.996 -1.363 149 2HB LYS 21 2HB LYS 21 2.602 0.730 -0.009 150 1HG LYS 21 1HG LYS 21 4.278 -0.114 1.343 151 2HG LYS 21 2HG LYS 21 5.325 -0.500 -0.025 152 1HD LYS 21 1HD LYS 21 5.405 2.022 -0.440 153 2HD LYS 21 2HD LYS 21 4.725 2.187 1.180 154 1HE LYS 21 1HE LYS 21 6.610 1.013 2.131 155 2HE LYS 21 2HE LYS 21 7.264 0.700 0.525 156 1HZ LYS 21 1HZ LYS 21 8.377 2.590 0.733 157 2HZ LYS 21 2HZ LYS 21 7.573 2.993 2.164 158 3HZ LYS 21 3HZ LYS 21 6.910 3.429 0.671 159 H ARG 22 H ARG 22 1.011 0.543 -1.016 160 HA ARG 22 HA ARG 22 -0.792 -1.562 -0.041 161 1HB ARG 22 1HB ARG 22 -1.023 1.424 0.379 162 2HB ARG 22 2HB ARG 22 -2.008 0.176 1.128 163 1HG ARG 22 1HG ARG 22 -0.566 -0.008 2.800 164 2HG ARG 22 2HG ARG 22 0.742 -0.360 1.677 165 1HD ARG 22 1HD ARG 22 0.520 2.319 1.360 166 2HD ARG 22 2HD ARG 22 0.036 2.150 3.047 167 HE ARG 22 HE ARG 22 2.413 0.689 2.509 168 1HH1 ARG 22 1HH1 ARG 22 1.231 3.927 3.073 169 2HH1 ARG 22 2HH1 ARG 22 2.741 4.500 3.700 170 1HH2 ARG 22 1HH2 ARG 22 4.393 1.442 3.339 171 2HH2 ARG 22 2HH2 ARG 22 4.535 3.090 3.851 172 H LYS 23 H LYS 23 -2.867 -1.716 -0.901 173 HA LYS 23 HA LYS 23 -3.450 -0.044 -3.244 174 1HB LYS 23 1HB LYS 23 -2.852 -2.851 -3.227 175 2HB LYS 23 2HB LYS 23 -4.517 -2.618 -3.745 176 1HG LYS 23 1HG LYS 23 -3.780 -1.078 -5.475 177 2HG LYS 23 2HG LYS 23 -2.110 -1.263 -4.943 178 1HD LYS 23 1HD LYS 23 -1.993 -2.875 -6.499 179 2HD LYS 23 2HD LYS 23 -2.881 -3.859 -5.333 180 1HE LYS 23 1HE LYS 23 -4.757 -3.829 -6.558 181 2HE LYS 23 2HE LYS 23 -4.576 -2.125 -6.972 182 1HZ LYS 23 1HZ LYS 23 -3.381 -2.612 -8.835 183 2HZ LYS 23 2HZ LYS 23 -4.375 -3.980 -8.780 184 3HZ LYS 23 3HZ LYS 23 -2.779 -4.072 -8.226 185 H ILE 24 H ILE 24 -5.241 1.056 -2.776 186 HA ILE 24 HA ILE 24 -7.257 -0.122 -1.023 187 HB ILE 24 HB ILE 24 -7.262 2.664 -2.147 188 1HG1 ILE 24 1HG1 ILE 24 -5.876 1.631 0.319 189 2HG1 ILE 24 2HG1 ILE 24 -5.123 2.390 -1.076 190 1HG2 ILE 24 1HG2 ILE 24 -8.300 2.647 0.432 191 2HG2 ILE 24 2HG2 ILE 24 -8.936 1.186 -0.319 192 3HG2 ILE 24 3HG2 ILE 24 -9.206 2.754 -1.077 193 1HD1 ILE 24 1HD1 ILE 24 -6.211 3.594 1.290 194 2HD1 ILE 24 2HD1 ILE 24 -6.995 4.238 -0.153 195 3HD1 ILE 24 3HD1 ILE 24 -5.240 4.314 0.005 196 H ILE 25 H ILE 25 -9.528 -0.111 -1.573 197 HA ILE 25 HA ILE 25 -10.057 0.089 -4.455 198 HB ILE 25 HB ILE 25 -11.392 -1.872 -2.587 199 1HG1 ILE 25 1HG1 ILE 25 -9.081 -2.182 -4.472 200 2HG1 ILE 25 2HG1 ILE 25 -9.206 -2.702 -2.810 201 1HG2 ILE 25 1HG2 ILE 25 -12.758 -1.103 -4.468 202 2HG2 ILE 25 2HG2 ILE 25 -12.327 -2.804 -4.636 203 3HG2 ILE 25 3HG2 ILE 25 -11.485 -1.586 -5.590 204 1HD1 ILE 25 1HD1 ILE 25 -9.254 -4.511 -4.549 205 2HD1 ILE 25 2HD1 ILE 25 -10.842 -3.904 -5.015 206 3HD1 ILE 25 3HD1 ILE 25 -10.578 -4.526 -3.386 207 H VAL 26 H VAL 26 -12.031 0.974 -5.048 208 HA VAL 26 HA VAL 26 -13.685 2.036 -2.844 209 HB VAL 26 HB VAL 26 -14.235 3.933 -4.524 210 1HG1 VAL 26 1HG1 VAL 26 -12.361 3.665 -2.435 211 2HG1 VAL 26 2HG1 VAL 26 -13.146 5.135 -3.014 212 3HG1 VAL 26 3HG1 VAL 26 -11.596 4.638 -3.691 213 1HG2 VAL 26 1HG2 VAL 26 -12.434 4.540 -6.027 214 2HG2 VAL 26 2HG2 VAL 26 -13.034 2.928 -6.416 215 3HG2 VAL 26 3HG2 VAL 26 -11.517 3.115 -5.537 216 H ALA 27 H ALA 27 -15.626 1.111 -2.904 217 HA ALA 27 HA ALA 27 -16.759 0.449 -5.538 218 1HB ALA 27 1HB ALA 27 -17.791 -1.052 -3.238 219 2HB ALA 27 2HB ALA 27 -16.101 -1.361 -3.636 220 3HB ALA 27 3HB ALA 27 -17.353 -1.602 -4.853 221 H CYS 28 H CYS 28 -18.536 1.463 -6.076 222 HA CYS 28 HA CYS 28 -20.396 2.325 -3.972 223 1HB CYS 28 1HB CYS 28 -18.919 4.236 -4.605 224 2HB CYS 28 2HB CYS 28 -19.519 4.104 -6.255 225 HG CYS 28 HG CYS 28 -21.430 4.835 -3.910 226 H GLY 29 H GLY 29 -22.563 2.709 -4.707 227 1HA GLY 29 1HA GLY 29 -23.498 0.778 -6.513 228 2HA GLY 29 2HA GLY 29 -24.441 2.124 -5.890 229 H GLY 30 H GLY 30 -23.521 4.326 -6.928 230 1HA GLY 30 1HA GLY 30 -23.909 3.938 -9.801 231 2HA GLY 30 2HA GLY 30 -24.059 5.456 -8.930 232 H ALA 31 H ALA 31 -22.771 5.936 -11.034 233 HA ALA 31 HA ALA 31 -19.965 6.111 -10.237 234 1HB ALA 31 1HB ALA 31 -20.365 4.114 -11.782 235 2HB ALA 31 2HB ALA 31 -19.087 5.245 -12.225 236 3HB ALA 31 3HB ALA 31 -20.646 5.309 -13.047 237 H VAL 32 H VAL 32 -20.632 8.314 -9.824 238 HA VAL 32 HA VAL 32 -20.046 10.043 -11.999 239 HB VAL 32 HB VAL 32 -22.437 9.485 -12.493 240 1HG1 VAL 32 1HG1 VAL 32 -22.878 10.873 -9.858 241 2HG1 VAL 32 2HG1 VAL 32 -23.391 9.254 -10.334 242 3HG1 VAL 32 3HG1 VAL 32 -24.142 10.670 -11.070 243 1HG2 VAL 32 1HG2 VAL 32 -23.049 11.719 -13.060 244 2HG2 VAL 32 2HG2 VAL 32 -21.296 11.595 -13.197 245 3HG2 VAL 32 3HG2 VAL 32 -22.015 12.384 -11.794 246 H ALA 33 H ALA 33 -19.590 12.144 -11.329 247 HA ALA 33 HA ALA 33 -18.633 13.570 -9.792 248 1HB ALA 33 1HB ALA 33 -20.707 14.019 -8.020 249 2HB ALA 33 2HB ALA 33 -21.516 13.451 -9.480 250 3HB ALA 33 3HB ALA 33 -20.442 14.849 -9.552 251 H THR 34 H THR 34 -18.112 10.834 -9.172 252 HA THR 34 HA THR 34 -17.608 11.111 -6.310 253 HB THR 34 HB THR 34 -18.708 8.545 -7.462 254 HG1 THR 34 HG1 THR 34 -20.658 9.183 -6.938 255 1HG2 THR 34 1HG2 THR 34 -17.541 9.209 -4.940 256 2HG2 THR 34 2HG2 THR 34 -18.132 7.654 -5.528 257 3HG2 THR 34 3HG2 THR 34 -19.234 8.771 -4.722 258 H SER 35 H SER 35 -17.051 9.251 -9.273 259 HA SER 35 HA SER 35 -14.730 7.913 -8.384 260 1HB SER 35 1HB SER 35 -16.195 7.406 -10.442 261 2HB SER 35 2HB SER 35 -15.253 8.651 -11.259 262 HG SER 35 HG SER 35 -14.148 6.380 -9.963 263 H THR 36 H THR 36 -15.076 10.752 -10.517 264 HA THR 36 HA THR 36 -12.345 11.337 -10.700 265 HB THR 36 HB THR 36 -13.928 13.750 -10.787 266 HG1 THR 36 HG1 THR 36 -15.367 13.042 -12.426 267 1HG2 THR 36 1HG2 THR 36 -12.698 12.108 -12.985 268 2HG2 THR 36 2HG2 THR 36 -11.925 13.433 -12.114 269 3HG2 THR 36 3HG2 THR 36 -13.322 13.748 -13.144 270 H MET 37 H MET 37 -14.822 12.634 -8.493 271 HA MET 37 HA MET 37 -13.190 14.436 -7.126 272 1HB MET 37 1HB MET 37 -15.368 12.868 -5.763 273 2HB MET 37 2HB MET 37 -14.861 14.525 -5.464 274 1HG MET 37 1HG MET 37 -15.665 14.487 -8.128 275 2HG MET 37 2HG MET 37 -16.854 13.506 -7.273 276 1HE MET 37 1HE MET 37 -17.940 16.101 -8.689 277 2HE MET 37 2HE MET 37 -18.963 16.676 -7.373 278 3HE MET 37 3HE MET 37 -18.833 14.948 -7.699 279 H ALA 38 H ALA 38 -14.034 11.093 -6.199 280 HA ALA 38 HA ALA 38 -12.288 10.994 -3.989 281 1HB ALA 38 1HB ALA 38 -13.265 8.653 -5.616 282 2HB ALA 38 2HB ALA 38 -14.214 9.464 -4.368 283 3HB ALA 38 3HB ALA 38 -12.716 8.637 -3.940 284 H ALA 39 H ALA 39 -11.936 9.462 -7.201 285 HA ALA 39 HA ALA 39 -9.408 8.443 -6.952 286 1HB ALA 39 1HB ALA 39 -11.057 8.365 -8.943 287 2HB ALA 39 2HB ALA 39 -9.326 8.281 -9.262 288 3HB ALA 39 3HB ALA 39 -10.194 9.798 -9.502 289 H GLU 40 H GLU 40 -10.209 11.715 -8.132 290 HA GLU 40 HA GLU 40 -7.527 12.562 -8.370 291 1HB GLU 40 1HB GLU 40 -9.798 13.587 -9.267 292 2HB GLU 40 2HB GLU 40 -9.686 14.539 -7.793 293 1HG GLU 40 1HG GLU 40 -7.419 15.261 -8.500 294 2HG GLU 40 2HG GLU 40 -7.673 14.412 -10.025 295 H GLU 41 H GLU 41 -9.867 12.776 -5.723 296 HA GLU 41 HA GLU 41 -8.354 14.475 -4.058 297 1HB GLU 41 1HB GLU 41 -10.726 12.789 -3.793 298 2HB GLU 41 2HB GLU 41 -9.771 12.848 -2.322 299 1HG GLU 41 1HG GLU 41 -9.960 15.491 -3.285 300 2HG GLU 41 2HG GLU 41 -11.574 14.786 -3.371 301 H ILE 42 H ILE 42 -8.707 10.927 -3.984 302 HA ILE 42 HA ILE 42 -6.805 10.486 -1.968 303 HB ILE 42 HB ILE 42 -7.439 8.541 -4.185 304 1HG1 ILE 42 1HG1 ILE 42 -9.514 9.498 -3.144 305 2HG1 ILE 42 2HG1 ILE 42 -9.330 7.767 -2.913 306 1HG2 ILE 42 1HG2 ILE 42 -5.780 8.404 -1.907 307 2HG2 ILE 42 2HG2 ILE 42 -6.197 7.111 -3.031 308 3HG2 ILE 42 3HG2 ILE 42 -7.178 7.377 -1.591 309 1HD1 ILE 42 1HD1 ILE 42 -9.682 9.804 -0.972 310 2HD1 ILE 42 2HD1 ILE 42 -8.113 9.043 -0.711 311 3HD1 ILE 42 3HD1 ILE 42 -9.577 8.060 -0.742 312 H LYS 43 H LYS 43 -6.487 10.951 -5.418 313 HA LYS 43 HA LYS 43 -3.823 9.981 -5.632 314 1HB LYS 43 1HB LYS 43 -5.760 11.332 -7.371 315 2HB LYS 43 2HB LYS 43 -4.093 11.780 -7.701 316 1HG LYS 43 1HG LYS 43 -5.224 8.988 -7.687 317 2HG LYS 43 2HG LYS 43 -4.765 9.934 -9.104 318 1HD LYS 43 1HD LYS 43 -2.788 9.287 -6.936 319 2HD LYS 43 2HD LYS 43 -3.113 8.166 -8.256 320 1HE LYS 43 1HE LYS 43 -2.571 10.016 -9.847 321 2HE LYS 43 2HE LYS 43 -2.068 10.984 -8.462 322 1HZ LYS 43 1HZ LYS 43 -0.181 9.805 -8.212 323 2HZ LYS 43 2HZ LYS 43 -0.409 9.446 -9.850 324 3HZ LYS 43 3HZ LYS 43 -0.887 8.336 -8.666 325 H GLU 44 H GLU 44 -5.144 13.294 -5.534 326 HA GLU 44 HA GLU 44 -2.774 14.709 -5.576 327 1HB GLU 44 1HB GLU 44 -4.593 16.104 -5.706 328 2HB GLU 44 2HB GLU 44 -5.498 15.217 -4.489 329 1HG GLU 44 1HG GLU 44 -3.977 16.195 -2.762 330 2HG GLU 44 2HG GLU 44 -3.282 17.199 -4.033 331 H LEU 45 H LEU 45 -4.321 13.059 -2.897 332 HA LEU 45 HA LEU 45 -2.706 14.114 -0.836 333 1HB LEU 45 1HB LEU 45 -4.561 11.823 -1.154 334 2HB LEU 45 2HB LEU 45 -3.424 11.741 0.180 335 HG LEU 45 HG LEU 45 -5.686 12.699 0.734 336 1HD1 LEU 45 1HD1 LEU 45 -3.139 14.199 1.224 337 2HD1 LEU 45 2HD1 LEU 45 -3.998 13.092 2.292 338 3HD1 LEU 45 3HD1 LEU 45 -4.664 14.690 1.963 339 1HD2 LEU 45 1HD2 LEU 45 -5.569 14.082 -1.502 340 2HD2 LEU 45 2HD2 LEU 45 -4.780 15.267 -0.465 341 3HD2 LEU 45 3HD2 LEU 45 -6.410 14.712 -0.087 342 H CYS 46 H CYS 46 -2.508 11.106 -2.689 343 HA CYS 46 HA CYS 46 -0.291 9.974 -1.472 344 1HB CYS 46 1HB CYS 46 -1.671 9.674 -4.032 345 2HB CYS 46 2HB CYS 46 0.044 9.285 -4.124 346 HG CYS 46 HG CYS 46 -0.536 7.619 -2.018 347 H GLN 47 H GLN 47 -0.409 12.382 -4.058 348 HA GLN 47 HA GLN 47 2.423 12.440 -4.436 349 1HB GLN 47 1HB GLN 47 2.030 14.292 -5.913 350 2HB GLN 47 2HB GLN 47 0.771 13.096 -6.185 351 1HG GLN 47 1HG GLN 47 -0.856 14.399 -5.133 352 2HG GLN 47 2HG GLN 47 0.342 15.432 -4.356 353 1HE2 GLN 47 1HE2 GLN 47 -0.243 14.361 -7.689 354 2HE2 GLN 47 2HE2 GLN 47 -0.253 15.944 -8.379 355 H SER 48 H SER 48 0.168 14.116 -2.372 356 HA SER 48 HA SER 48 1.682 16.359 -1.692 357 1HB SER 48 1HB SER 48 0.195 16.665 0.087 358 2HB SER 48 2HB SER 48 -0.756 15.712 -1.051 359 HG SER 48 HG SER 48 -1.015 14.601 0.768 360 H HIS 49 H HIS 49 1.629 13.126 -0.229 361 HA HIS 49 HA HIS 49 4.019 13.854 1.323 362 1HB HIS 49 1HB HIS 49 1.718 12.076 1.832 363 2HB HIS 49 2HB HIS 49 3.281 11.443 2.339 364 HD1 HIS 49 HD1 HIS 49 0.644 12.811 3.944 365 HD2 HIS 49 HD2 HIS 49 4.610 14.094 3.629 366 HE1 HIS 49 HE1 HIS 49 1.052 14.336 5.930 367 HE2 HIS 49 HE2 HIS 49 3.421 15.154 5.668 368 H ASN 50 H ASN 50 3.483 12.651 -1.579 369 HA ASN 50 HA ASN 50 4.517 11.199 -2.996 370 1HB ASN 50 1HB ASN 50 6.648 12.039 -1.079 371 2HB ASN 50 2HB ASN 50 7.016 10.763 -2.236 372 1HD2 ASN 50 1HD2 ASN 50 7.206 13.972 -1.729 373 2HD2 ASN 50 2HD2 ASN 50 7.239 14.536 -3.361 374 H ILE 51 H ILE 51 2.844 9.784 -1.564 375 HA ILE 51 HA ILE 51 4.342 7.476 -0.513 376 HB ILE 51 HB ILE 51 1.400 7.949 -0.100 377 1HG1 ILE 51 1HG1 ILE 51 3.687 8.902 1.639 378 2HG1 ILE 51 2HG1 ILE 51 2.557 9.922 0.757 379 1HG2 ILE 51 1HG2 ILE 51 3.484 6.273 1.281 380 2HG2 ILE 51 2HG2 ILE 51 2.074 5.721 0.377 381 3HG2 ILE 51 3HG2 ILE 51 1.863 6.541 1.924 382 1HD1 ILE 51 1HD1 ILE 51 2.331 9.179 3.372 383 2HD1 ILE 51 2HD1 ILE 51 1.252 8.044 2.560 384 3HD1 ILE 51 3HD1 ILE 51 1.019 9.781 2.360 385 HA PRO 52 HA PRO 52 3.083 5.876 -4.627 386 1HB PRO 52 1HB PRO 52 4.691 3.626 -3.515 387 2HB PRO 52 2HB PRO 52 4.751 4.369 -5.118 388 1HG PRO 52 1HG PRO 52 6.640 4.884 -3.314 389 2HG PRO 52 2HG PRO 52 6.033 6.159 -4.387 390 1HD PRO 52 1HD PRO 52 5.459 5.678 -1.498 391 2HD PRO 52 2HD PRO 52 5.625 7.210 -2.379 392 H VAL 53 H VAL 53 1.047 5.186 -4.677 393 HA VAL 53 HA VAL 53 0.339 2.677 -3.384 394 HB VAL 53 HB VAL 53 -1.306 5.172 -2.921 395 1HG1 VAL 53 1HG1 VAL 53 -2.593 3.712 -1.382 396 2HG1 VAL 53 2HG1 VAL 53 -1.680 2.338 -1.995 397 3HG1 VAL 53 3HG1 VAL 53 -2.726 3.251 -3.080 398 1HG2 VAL 53 1HG2 VAL 53 0.190 3.584 -0.849 399 2HG2 VAL 53 2HG2 VAL 53 -0.635 5.129 -0.646 400 3HG2 VAL 53 3HG2 VAL 53 0.837 5.038 -1.606 401 H GLU 54 H GLU 54 -1.704 1.800 -4.221 402 HA GLU 54 HA GLU 54 -2.495 3.018 -6.784 403 1HB GLU 54 1HB GLU 54 -2.609 0.055 -6.471 404 2HB GLU 54 2HB GLU 54 -2.420 1.015 -7.924 405 1HG GLU 54 1HG GLU 54 -0.128 1.502 -6.396 406 2HG GLU 54 2HG GLU 54 -0.425 -0.232 -6.283 407 H LEU 55 H LEU 55 -4.540 3.630 -6.726 408 HA LEU 55 HA LEU 55 -6.390 2.272 -4.904 409 1HB LEU 55 1HB LEU 55 -6.201 4.674 -4.620 410 2HB LEU 55 2HB LEU 55 -6.574 4.934 -6.313 411 HG LEU 55 HG LEU 55 -8.804 3.666 -5.675 412 1HD1 LEU 55 1HD1 LEU 55 -7.559 4.285 -3.101 413 2HD1 LEU 55 2HD1 LEU 55 -8.846 3.146 -3.500 414 3HD1 LEU 55 3HD1 LEU 55 -9.220 4.852 -3.259 415 1HD2 LEU 55 1HD2 LEU 55 -9.781 5.674 -5.931 416 2HD2 LEU 55 2HD2 LEU 55 -8.136 6.227 -6.245 417 3HD2 LEU 55 3HD2 LEU 55 -8.837 6.414 -4.638 418 H ILE 56 H ILE 56 -7.799 0.889 -5.674 419 HA ILE 56 HA ILE 56 -8.428 0.900 -8.547 420 HB ILE 56 HB ILE 56 -9.411 -1.491 -7.584 421 1HG1 ILE 56 1HG1 ILE 56 -6.794 -0.889 -6.199 422 2HG1 ILE 56 2HG1 ILE 56 -8.341 -1.135 -5.417 423 1HG2 ILE 56 1HG2 ILE 56 -6.681 -1.792 -8.457 424 2HG2 ILE 56 2HG2 ILE 56 -7.527 -0.594 -9.436 425 3HG2 ILE 56 3HG2 ILE 56 -8.178 -2.225 -9.280 426 1HD1 ILE 56 1HD1 ILE 56 -8.067 -3.430 -6.872 427 2HD1 ILE 56 2HD1 ILE 56 -7.663 -3.244 -5.165 428 3HD1 ILE 56 3HD1 ILE 56 -6.410 -3.077 -6.389 429 H GLN 57 H GLN 57 -10.611 0.586 -9.237 430 HA GLN 57 HA GLN 57 -12.621 1.126 -7.157 431 1HB GLN 57 1HB GLN 57 -12.936 2.188 -9.944 432 2HB GLN 57 2HB GLN 57 -13.683 2.745 -8.454 433 1HG GLN 57 1HG GLN 57 -11.918 4.053 -7.891 434 2HG GLN 57 2HG GLN 57 -10.739 2.990 -8.650 435 1HE2 GLN 57 1HE2 GLN 57 -9.737 3.946 -10.247 436 2HE2 GLN 57 2HE2 GLN 57 -10.427 5.062 -11.371 437 H CYS 58 H CYS 58 -14.309 -0.256 -7.143 438 HA CYS 58 HA CYS 58 -15.124 -1.627 -9.565 439 1HB CYS 58 1HB CYS 58 -13.855 -3.021 -7.226 440 2HB CYS 58 2HB CYS 58 -15.023 -3.841 -8.248 441 HG CYS 58 HG CYS 58 -12.700 -4.381 -9.199 442 H ARG 59 H ARG 59 -17.072 -3.096 -9.087 443 HA ARG 59 HA ARG 59 -19.003 -1.597 -7.657 444 1HB ARG 59 1HB ARG 59 -19.005 -4.218 -9.123 445 2HB ARG 59 2HB ARG 59 -20.406 -3.729 -8.184 446 1HG ARG 59 1HG ARG 59 -20.857 -3.052 -10.376 447 2HG ARG 59 2HG ARG 59 -20.381 -1.582 -9.524 448 1HD ARG 59 1HD ARG 59 -18.456 -1.362 -10.696 449 2HD ARG 59 2HD ARG 59 -18.214 -3.101 -10.834 450 HE ARG 59 HE ARG 59 -19.889 -3.080 -12.620 451 1HH1 ARG 59 1HH1 ARG 59 -18.403 -0.030 -11.761 452 2HH1 ARG 59 2HH1 ARG 59 -18.732 0.697 -13.295 453 1HH2 ARG 59 1HH2 ARG 59 -20.312 -2.113 -14.633 454 2HH2 ARG 59 2HH2 ARG 59 -19.812 -0.480 -14.922 455 H VAL 60 H VAL 60 -20.591 -3.569 -6.494 456 HA VAL 60 HA VAL 60 -19.222 -3.904 -3.967 457 HB VAL 60 HB VAL 60 -21.372 -4.589 -3.064 458 1HG1 VAL 60 1HG1 VAL 60 -21.279 -2.309 -2.955 459 2HG1 VAL 60 2HG1 VAL 60 -22.707 -2.500 -3.972 460 3HG1 VAL 60 3HG1 VAL 60 -21.149 -2.120 -4.704 461 1HG2 VAL 60 1HG2 VAL 60 -23.272 -5.041 -4.308 462 2HG2 VAL 60 2HG2 VAL 60 -22.004 -5.748 -5.308 463 3HG2 VAL 60 3HG2 VAL 60 -22.677 -4.173 -5.723 464 H ASN 61 H ASN 61 -19.520 -5.804 -6.713 465 HA ASN 61 HA ASN 61 -19.092 -8.248 -5.121 466 1HB ASN 61 1HB ASN 61 -21.189 -7.813 -6.865 467 2HB ASN 61 2HB ASN 61 -20.038 -8.712 -7.850 468 1HD2 ASN 61 1HD2 ASN 61 -21.794 -8.749 -4.800 469 2HD2 ASN 61 2HD2 ASN 61 -21.843 -10.468 -4.640 470 H GLU 62 H GLU 62 -17.030 -6.516 -5.875 471 HA GLU 62 HA GLU 62 -15.557 -8.251 -7.728 472 1HB GLU 62 1HB GLU 62 -15.258 -5.265 -7.706 473 2HB GLU 62 2HB GLU 62 -14.578 -6.400 -8.860 474 1HG GLU 62 1HG GLU 62 -17.450 -6.610 -8.773 475 2HG GLU 62 2HG GLU 62 -16.944 -4.956 -9.094 476 H ILE 63 H ILE 63 -15.487 -6.014 -5.014 477 HA ILE 63 HA ILE 63 -12.781 -5.803 -4.554 478 HB ILE 63 HB ILE 63 -14.939 -6.125 -2.467 479 1HG1 ILE 63 1HG1 ILE 63 -13.771 -3.656 -3.764 480 2HG1 ILE 63 2HG1 ILE 63 -15.397 -4.285 -4.009 481 1HG2 ILE 63 1HG2 ILE 63 -12.960 -4.470 -1.459 482 2HG2 ILE 63 2HG2 ILE 63 -12.070 -5.768 -2.254 483 3HG2 ILE 63 3HG2 ILE 63 -13.258 -6.147 -1.007 484 1HD1 ILE 63 1HD1 ILE 63 -14.637 -2.370 -2.185 485 2HD1 ILE 63 2HD1 ILE 63 -14.807 -3.831 -1.212 486 3HD1 ILE 63 3HD1 ILE 63 -16.158 -3.264 -2.193 487 H GLU 64 H GLU 64 -14.960 -8.448 -3.672 488 HA GLU 64 HA GLU 64 -13.032 -9.927 -2.212 489 1HB GLU 64 1HB GLU 64 -15.673 -10.643 -3.463 490 2HB GLU 64 2HB GLU 64 -14.676 -11.851 -2.664 491 1HG GLU 64 1HG GLU 64 -14.927 -10.864 -0.576 492 2HG GLU 64 2HG GLU 64 -15.433 -9.320 -1.262 493 H THR 65 H THR 65 -14.029 -9.938 -5.607 494 HA THR 65 HA THR 65 -12.458 -12.231 -6.288 495 HB THR 65 HB THR 65 -12.819 -11.416 -8.669 496 HG1 THR 65 HG1 THR 65 -14.193 -9.411 -7.257 497 1HG2 THR 65 1HG2 THR 65 -14.407 -12.933 -7.274 498 2HG2 THR 65 2HG2 THR 65 -14.923 -12.281 -8.829 499 3HG2 THR 65 3HG2 THR 65 -15.470 -11.527 -7.332 500 H TYR 66 H TYR 66 -11.980 -8.728 -6.554 501 HA TYR 66 HA TYR 66 -9.304 -9.147 -7.618 502 1HB TYR 66 1HB TYR 66 -10.763 -6.568 -7.000 503 2HB TYR 66 2HB TYR 66 -9.216 -6.699 -7.828 504 HD1 TYR 66 HD1 TYR 66 -9.132 -6.997 -10.162 505 HD2 TYR 66 HD2 TYR 66 -12.805 -7.619 -8.118 506 HE1 TYR 66 HE1 TYR 66 -10.302 -7.171 -12.319 507 HE2 TYR 66 HE2 TYR 66 -13.984 -7.797 -10.261 508 HH TYR 66 HH TYR 66 -12.481 -6.988 -13.257 509 H MET 67 H MET 67 -10.397 -9.572 -4.688 510 HA MET 67 HA MET 67 -8.704 -7.856 -3.115 511 1HB MET 67 1HB MET 67 -10.928 -9.374 -2.551 512 2HB MET 67 2HB MET 67 -9.641 -10.317 -1.824 513 1HG MET 67 1HG MET 67 -10.265 -7.427 -1.268 514 2HG MET 67 2HG MET 67 -10.591 -8.797 -0.208 515 1HE MET 67 1HE MET 67 -7.926 -10.001 1.319 516 2HE MET 67 2HE MET 67 -9.546 -9.318 1.466 517 3HE MET 67 3HE MET 67 -8.163 -8.457 2.139 518 H ASP 68 H ASP 68 -7.002 -8.937 -4.918 519 HA ASP 68 HA ASP 68 -5.769 -11.300 -3.772 520 1HB ASP 68 1HB ASP 68 -5.730 -9.949 -6.340 521 2HB ASP 68 2HB ASP 68 -4.101 -10.341 -5.796 522 H GLY 69 H GLY 69 -5.022 -7.869 -4.212 523 1HA GLY 69 1HA GLY 69 -3.038 -8.118 -2.068 524 2HA GLY 69 2HA GLY 69 -2.517 -7.432 -3.599 525 H VAL 70 H VAL 70 -5.539 -7.004 -1.779 526 HA VAL 70 HA VAL 70 -5.265 -4.125 -2.071 527 HB VAL 70 HB VAL 70 -7.527 -5.594 -0.723 528 1HG1 VAL 70 1HG1 VAL 70 -8.779 -3.597 -1.131 529 2HG1 VAL 70 2HG1 VAL 70 -7.465 -2.909 -2.084 530 3HG1 VAL 70 3HG1 VAL 70 -7.266 -3.141 -0.347 531 1HG2 VAL 70 1HG2 VAL 70 -7.011 -6.301 -3.141 532 2HG2 VAL 70 2HG2 VAL 70 -7.563 -4.686 -3.582 533 3HG2 VAL 70 3HG2 VAL 70 -8.658 -5.796 -2.757 534 H HIS 71 H HIS 71 -4.676 -2.761 -0.510 535 HA HIS 71 HA HIS 71 -3.975 -3.870 2.091 536 1HB HIS 71 1HB HIS 71 -2.345 -2.468 0.842 537 2HB HIS 71 2HB HIS 71 -3.451 -1.106 0.988 538 HD1 HIS 71 HD1 HIS 71 -1.123 -3.271 2.994 539 HD2 HIS 71 HD2 HIS 71 -3.448 0.163 3.458 540 HE1 HIS 71 HE1 HIS 71 -0.422 -2.235 5.200 541 HE2 HIS 71 HE2 HIS 71 -1.726 -0.085 5.365 542 H LEU 72 H LEU 72 -6.312 -1.720 0.643 543 HA LEU 72 HA LEU 72 -7.756 -1.601 3.159 544 1HB LEU 72 1HB LEU 72 -7.189 0.971 1.688 545 2HB LEU 72 2HB LEU 72 -7.998 0.777 3.228 546 HG LEU 72 HG LEU 72 -5.246 -0.227 3.224 547 1HD1 LEU 72 1HD1 LEU 72 -5.498 2.743 3.181 548 2HD1 LEU 72 2HD1 LEU 72 -5.291 1.854 1.680 549 3HD1 LEU 72 3HD1 LEU 72 -4.073 1.734 2.937 550 1HD2 LEU 72 1HD2 LEU 72 -7.142 1.123 4.990 551 2HD2 LEU 72 2HD2 LEU 72 -5.473 1.662 5.174 552 3HD2 LEU 72 3HD2 LEU 72 -5.874 -0.045 5.362 553 H ILE 73 H ILE 73 -9.964 -1.474 2.859 554 HA ILE 73 HA ILE 73 -10.878 -1.213 0.063 555 HB ILE 73 HB ILE 73 -11.750 -3.128 2.206 556 1HG1 ILE 73 1HG1 ILE 73 -11.626 -4.647 0.105 557 2HG1 ILE 73 2HG1 ILE 73 -10.681 -3.327 -0.575 558 1HG2 ILE 73 1HG2 ILE 73 -13.287 -2.900 -0.343 559 2HG2 ILE 73 2HG2 ILE 73 -13.708 -1.872 1.023 560 3HG2 ILE 73 3HG2 ILE 73 -13.765 -3.623 1.190 561 1HD1 ILE 73 1HD1 ILE 73 -9.321 -5.133 0.447 562 2HD1 ILE 73 2HD1 ILE 73 -10.028 -4.720 2.008 563 3HD1 ILE 73 3HD1 ILE 73 -9.037 -3.543 1.154 564 H CYS 74 H CYS 74 -12.608 0.084 -0.337 565 HA CYS 74 HA CYS 74 -13.950 1.288 1.990 566 1HB CYS 74 1HB CYS 74 -12.191 2.704 0.593 567 2HB CYS 74 2HB CYS 74 -13.573 2.916 -0.479 568 HG CYS 74 HG CYS 74 -13.252 4.754 1.554 569 H THR 75 H THR 75 -15.905 0.356 1.915 570 HA THR 75 HA THR 75 -17.450 0.682 -0.567 571 HB THR 75 HB THR 75 -18.002 -1.687 1.154 572 HG1 THR 75 HG1 THR 75 -15.759 -1.790 0.851 573 1HG2 THR 75 1HG2 THR 75 -17.929 -2.414 -1.522 574 2HG2 THR 75 2HG2 THR 75 -18.661 -0.809 -1.506 575 3HG2 THR 75 3HG2 THR 75 -19.361 -2.106 -0.538 576 H THR 76 H THR 76 -19.676 1.047 -0.305 577 HA THR 76 HA THR 76 -20.386 2.477 2.048 578 HB THR 76 HB THR 76 -22.738 1.895 0.596 579 HG1 THR 76 HG1 THR 76 -20.677 2.624 -1.191 580 1HG2 THR 76 1HG2 THR 76 -22.918 4.083 0.763 581 2HG2 THR 76 2HG2 THR 76 -21.567 4.305 -0.351 582 3HG2 THR 76 3HG2 THR 76 -21.268 4.160 1.382 583 H ALA 77 H ALA 77 -19.898 0.624 3.508 584 HA ALA 77 HA ALA 77 -20.485 -1.157 4.811 585 1HB ALA 77 1HB ALA 77 -21.995 0.742 5.516 586 2HB ALA 77 2HB ALA 77 -22.556 -0.877 5.934 587 3HB ALA 77 3HB ALA 77 -23.264 -0.025 4.561 588 H ARG 78 H ARG 78 -23.459 -2.094 4.619 589 HA ARG 78 HA ARG 78 -24.681 -3.649 3.515 590 1HB ARG 78 1HB ARG 78 -23.806 -2.353 1.436 591 2HB ARG 78 2HB ARG 78 -22.715 -3.719 1.248 592 1HG ARG 78 1HG ARG 78 -24.508 -4.256 -0.120 593 2HG ARG 78 2HG ARG 78 -24.833 -5.166 1.356 594 1HD ARG 78 1HD ARG 78 -26.710 -4.023 1.772 595 2HD ARG 78 2HD ARG 78 -25.950 -2.478 1.401 596 HE ARG 78 HE ARG 78 -26.847 -4.264 -0.756 597 1HH1 ARG 78 1HH1 ARG 78 -26.994 -1.174 0.879 598 2HH1 ARG 78 2HH1 ARG 78 -27.922 -0.423 -0.373 599 1HH2 ARG 78 1HH2 ARG 78 -28.070 -3.266 -2.394 600 2HH2 ARG 78 2HH2 ARG 78 -28.533 -1.605 -2.224 601 H VAL 79 H VAL 79 -21.210 -4.186 2.925 602 HA VAL 79 HA VAL 79 -21.352 -7.002 3.083 603 HB VAL 79 HB VAL 79 -18.900 -6.936 3.330 604 1HG1 VAL 79 1HG1 VAL 79 -19.426 -4.866 1.273 605 2HG1 VAL 79 2HG1 VAL 79 -20.312 -6.386 1.142 606 3HG1 VAL 79 3HG1 VAL 79 -18.548 -6.391 1.151 607 1HG2 VAL 79 1HG2 VAL 79 -18.538 -4.098 2.960 608 2HG2 VAL 79 2HG2 VAL 79 -17.804 -5.178 4.144 609 3HG2 VAL 79 3HG2 VAL 79 -19.367 -4.434 4.481 610 H ASP 80 H ASP 80 -19.796 -8.117 4.791 611 HA ASP 80 HA ASP 80 -20.882 -7.386 7.416 612 1HB ASP 80 1HB ASP 80 -20.651 -9.844 6.067 613 2HB ASP 80 2HB ASP 80 -19.489 -9.914 7.390 614 H ARG 81 H ARG 81 -17.952 -7.483 5.636 615 HA ARG 81 HA ARG 81 -15.763 -7.143 6.165 616 1HB ARG 81 1HB ARG 81 -16.709 -5.602 8.563 617 2HB ARG 81 2HB ARG 81 -15.331 -5.281 7.523 618 1HG ARG 81 1HG ARG 81 -16.537 -4.055 6.106 619 2HG ARG 81 2HG ARG 81 -17.881 -5.195 6.111 620 1HD ARG 81 1HD ARG 81 -17.303 -3.003 8.089 621 2HD ARG 81 2HD ARG 81 -18.689 -3.150 7.011 622 HE ARG 81 HE ARG 81 -18.616 -5.383 8.712 623 1HH1 ARG 81 1HH1 ARG 81 -19.195 -1.953 8.849 624 2HH1 ARG 81 2HH1 ARG 81 -20.296 -2.057 10.178 625 1HH2 ARG 81 1HH2 ARG 81 -20.050 -5.530 10.472 626 2HH2 ARG 81 2HH2 ARG 81 -20.774 -4.090 11.107 627 H SER 82 H SER 82 -16.923 -9.529 7.238 628 HA SER 82 HA SER 82 -15.079 -9.961 9.474 629 1HB SER 82 1HB SER 82 -17.507 -11.535 9.790 630 2HB SER 82 2HB SER 82 -16.669 -10.518 10.962 631 HG SER 82 HG SER 82 -17.704 -8.722 9.696 632 H PHE 83 H PHE 83 -15.110 -10.620 6.577 633 HA PHE 83 HA PHE 83 -15.315 -13.537 6.642 634 1HB PHE 83 1HB PHE 83 -14.578 -13.037 4.097 635 2HB PHE 83 2HB PHE 83 -16.252 -13.029 4.637 636 HD1 PHE 83 HD1 PHE 83 -17.369 -10.861 5.123 637 HD2 PHE 83 HD2 PHE 83 -13.526 -11.081 3.310 638 HE1 PHE 83 HE1 PHE 83 -17.606 -8.545 4.336 639 HE2 PHE 83 HE2 PHE 83 -13.763 -8.768 2.529 640 HZ PHE 83 HZ PHE 83 -15.802 -7.488 3.040 641 H GLY 84 H GLY 84 -13.186 -12.032 8.034 642 1HA GLY 84 1HA GLY 84 -11.052 -13.519 8.069 643 2HA GLY 84 2HA GLY 84 -10.818 -12.786 6.488 644 H ASP 85 H ASP 85 -9.681 -10.910 6.421 645 HA ASP 85 HA ASP 85 -9.685 -9.226 8.816 646 1HB ASP 85 1HB ASP 85 -7.244 -8.939 8.655 647 2HB ASP 85 2HB ASP 85 -7.678 -10.617 8.974 648 H ILE 86 H ILE 86 -10.755 -9.184 5.940 649 HA ILE 86 HA ILE 86 -9.431 -7.401 4.334 650 HB ILE 86 HB ILE 86 -11.449 -8.469 3.559 651 1HG1 ILE 86 1HG1 ILE 86 -11.919 -5.487 3.645 652 2HG1 ILE 86 2HG1 ILE 86 -10.709 -6.253 2.626 653 1HG2 ILE 86 1HG2 ILE 86 -13.087 -8.681 5.072 654 2HG2 ILE 86 2HG2 ILE 86 -13.610 -7.102 4.496 655 3HG2 ILE 86 3HG2 ILE 86 -12.611 -7.224 5.941 656 1HD1 ILE 86 1HD1 ILE 86 -13.618 -6.091 2.309 657 2HD1 ILE 86 2HD1 ILE 86 -12.891 -7.646 1.909 658 3HD1 ILE 86 3HD1 ILE 86 -12.340 -6.185 1.099 659 HA PRO 87 HA PRO 87 -9.484 -3.916 7.256 660 1HB PRO 87 1HB PRO 87 -7.556 -2.500 5.962 661 2HB PRO 87 2HB PRO 87 -7.195 -3.811 7.091 662 1HG PRO 87 1HG PRO 87 -7.284 -3.864 4.096 663 2HG PRO 87 2HG PRO 87 -6.088 -4.582 5.192 664 1HD PRO 87 1HD PRO 87 -8.050 -6.047 4.057 665 2HD PRO 87 2HD PRO 87 -7.432 -6.385 5.683 666 H LEU 88 H LEU 88 -11.697 -3.791 5.989 667 HA LEU 88 HA LEU 88 -11.585 -1.575 4.070 668 1HB LEU 88 1HB LEU 88 -13.548 -2.315 3.108 669 2HB LEU 88 2HB LEU 88 -12.737 -3.808 3.529 670 HG LEU 88 HG LEU 88 -14.259 -3.421 5.747 671 1HD1 LEU 88 1HD1 LEU 88 -16.218 -2.356 5.351 672 2HD1 LEU 88 2HD1 LEU 88 -16.237 -2.794 3.643 673 3HD1 LEU 88 3HD1 LEU 88 -15.228 -1.460 4.201 674 1HD2 LEU 88 1HD2 LEU 88 -15.463 -5.268 5.016 675 2HD2 LEU 88 2HD2 LEU 88 -13.964 -5.386 4.098 676 3HD2 LEU 88 3HD2 LEU 88 -15.417 -4.754 3.329 677 H VAL 89 H VAL 89 -13.334 0.031 4.157 678 HA VAL 89 HA VAL 89 -14.611 0.417 6.735 679 HB VAL 89 HB VAL 89 -13.203 2.850 5.808 680 1HG1 VAL 89 1HG1 VAL 89 -14.383 1.747 8.232 681 2HG1 VAL 89 2HG1 VAL 89 -14.161 3.425 7.739 682 3HG1 VAL 89 3HG1 VAL 89 -12.840 2.553 8.515 683 1HG2 VAL 89 1HG2 VAL 89 -11.622 0.937 7.484 684 2HG2 VAL 89 2HG2 VAL 89 -11.074 2.342 6.571 685 3HG2 VAL 89 3HG2 VAL 89 -11.527 0.866 5.725 686 H HIS 90 H HIS 90 -16.019 2.397 6.705 687 HA HIS 90 HA HIS 90 -17.399 2.496 4.143 688 1HB HIS 90 1HB HIS 90 -18.310 3.864 6.661 689 2HB HIS 90 2HB HIS 90 -19.280 3.282 5.313 690 HD1 HIS 90 HD1 HIS 90 -17.445 2.089 8.382 691 HD2 HIS 90 HD2 HIS 90 -20.080 0.638 5.483 692 HE1 HIS 90 HE1 HIS 90 -18.224 -0.180 9.207 693 HE2 HIS 90 HE2 HIS 90 -19.893 -0.971 7.489 694 H GLY 91 H GLY 91 -17.971 4.434 3.098 695 1HA GLY 91 1HA GLY 91 -16.136 6.660 3.701 696 2HA GLY 91 2HA GLY 91 -16.779 6.294 2.108 697 H MET 92 H MET 92 -18.777 6.225 4.976 698 HA MET 92 HA MET 92 -20.755 7.875 3.923 699 1HB MET 92 1HB MET 92 -20.926 6.276 5.895 700 2HB MET 92 2HB MET 92 -20.215 7.551 6.872 701 1HG MET 92 1HG MET 92 -22.651 7.488 7.057 702 2HG MET 92 2HG MET 92 -22.075 9.013 6.387 703 1HE MET 92 1HE MET 92 -24.516 9.160 6.212 704 2HE MET 92 2HE MET 92 -25.516 7.874 5.535 705 3HE MET 92 3HE MET 92 -25.075 9.263 4.542 706 HA PRO 93 HA PRO 93 -18.789 11.507 6.448 707 1HB PRO 93 1HB PRO 93 -16.190 11.294 7.143 708 2HB PRO 93 2HB PRO 93 -17.494 10.686 8.169 709 1HG PRO 93 1HG PRO 93 -15.743 9.190 6.254 710 2HG PRO 93 2HG PRO 93 -16.215 8.754 7.906 711 1HD PRO 93 1HD PRO 93 -17.410 7.712 5.721 712 2HD PRO 93 2HD PRO 93 -18.284 7.989 7.240 713 H PHE 94 H PHE 94 -16.682 9.715 4.244 714 HA PHE 94 HA PHE 94 -15.371 12.017 3.196 715 1HB PHE 94 1HB PHE 94 -15.270 9.158 2.798 716 2HB PHE 94 2HB PHE 94 -15.266 9.988 1.247 717 HD1 PHE 94 HD1 PHE 94 -13.038 9.435 0.633 718 HD2 PHE 94 HD2 PHE 94 -13.817 11.397 4.331 719 HE1 PHE 94 HE1 PHE 94 -10.635 9.897 0.893 720 HE2 PHE 94 HE2 PHE 94 -11.414 11.861 4.592 721 HZ PHE 94 HZ PHE 94 -9.822 11.111 2.873 722 H VAL 95 H VAL 95 -18.235 10.189 2.282 723 HA VAL 95 HA VAL 95 -18.629 11.503 -0.220 724 HB VAL 95 HB VAL 95 -20.616 9.997 1.491 725 1HG1 VAL 95 1HG1 VAL 95 -20.937 10.179 -1.446 726 2HG1 VAL 95 2HG1 VAL 95 -21.329 11.619 -0.512 727 3HG1 VAL 95 3HG1 VAL 95 -22.154 10.102 -0.174 728 1HG2 VAL 95 1HG2 VAL 95 -19.840 8.553 -0.818 729 2HG2 VAL 95 2HG2 VAL 95 -19.564 8.145 0.875 730 3HG2 VAL 95 3HG2 VAL 95 -18.372 9.099 -0.008 731 H SER 96 H SER 96 -19.352 12.300 3.061 732 HA SER 96 HA SER 96 -21.551 13.973 2.791 733 1HB SER 96 1HB SER 96 -20.946 14.905 4.896 734 2HB SER 96 2HB SER 96 -20.407 13.227 4.933 735 HG SER 96 HG SER 96 -18.316 14.144 4.193 736 H GLY 97 H GLY 97 -18.115 14.664 2.264 737 1HA GLY 97 1HA GLY 97 -17.196 16.294 0.890 738 2HA GLY 97 2HA GLY 97 -18.816 16.876 0.549 739 H VAL 98 H VAL 98 -18.412 16.607 3.859 740 HA VAL 98 HA VAL 98 -17.586 19.424 4.065 741 HB VAL 98 HB VAL 98 -19.990 19.209 4.466 742 1HG1 VAL 98 1HG1 VAL 98 -20.854 17.948 6.354 743 2HG1 VAL 98 2HG1 VAL 98 -19.229 17.392 6.753 744 3HG1 VAL 98 3HG1 VAL 98 -19.992 16.878 5.249 745 1HG2 VAL 98 1HG2 VAL 98 -18.645 20.889 5.682 746 2HG2 VAL 98 2HG2 VAL 98 -18.487 19.755 7.024 747 3HG2 VAL 98 3HG2 VAL 98 -20.076 20.378 6.577 748 H GLY 99 H GLY 99 -17.480 16.205 5.474 749 1HA GLY 99 1HA GLY 99 -15.643 17.195 7.549 750 2HA GLY 99 2HA GLY 99 -16.502 15.664 7.601 751 H ILE 100 H ILE 100 -15.029 16.549 4.609 752 HA ILE 100 HA ILE 100 -13.416 14.234 4.566 753 HB ILE 100 HB ILE 100 -12.824 16.632 2.864 754 1HG1 ILE 100 1HG1 ILE 100 -14.738 14.673 1.778 755 2HG1 ILE 100 2HG1 ILE 100 -15.381 15.722 3.037 756 1HG2 ILE 100 1HG2 ILE 100 -11.294 14.808 2.658 757 2HG2 ILE 100 2HG2 ILE 100 -12.294 14.861 1.206 758 3HG2 ILE 100 3HG2 ILE 100 -12.616 13.660 2.457 759 1HD1 ILE 100 1HD1 ILE 100 -13.931 17.382 1.304 760 2HD1 ILE 100 2HD1 ILE 100 -15.678 17.288 1.506 761 3HD1 ILE 100 3HD1 ILE 100 -14.881 16.298 0.286 762 H GLU 101 H GLU 101 -12.671 17.645 5.145 763 HA GLU 101 HA GLU 101 -9.907 17.484 5.314 764 1HB GLU 101 1HB GLU 101 -11.861 19.425 5.793 765 2HB GLU 101 2HB GLU 101 -10.964 19.304 7.301 766 1HG GLU 101 1HG GLU 101 -8.865 19.545 5.925 767 2HG GLU 101 2HG GLU 101 -9.911 19.963 4.569 768 H ALA 102 H ALA 102 -12.329 16.912 7.835 769 HA ALA 102 HA ALA 102 -10.470 16.518 9.936 770 1HB ALA 102 1HB ALA 102 -12.892 15.025 10.349 771 2HB ALA 102 2HB ALA 102 -13.258 16.616 9.681 772 3HB ALA 102 3HB ALA 102 -12.319 16.479 11.168 773 H LEU 103 H LEU 103 -12.215 14.250 7.829 774 HA LEU 103 HA LEU 103 -11.032 11.930 8.969 775 1HB LEU 103 1HB LEU 103 -13.196 11.979 7.727 776 2HB LEU 103 2HB LEU 103 -12.295 12.229 6.247 777 HG LEU 103 HG LEU 103 -11.384 10.052 6.298 778 1HD1 LEU 103 1HD1 LEU 103 -11.681 8.523 8.212 779 2HD1 LEU 103 2HD1 LEU 103 -12.393 9.849 9.131 780 3HD1 LEU 103 3HD1 LEU 103 -10.709 9.939 8.612 781 1HD2 LEU 103 1HD2 LEU 103 -14.260 10.331 6.849 782 2HD2 LEU 103 2HD2 LEU 103 -13.601 8.705 7.034 783 3HD2 LEU 103 3HD2 LEU 103 -13.430 9.556 5.500 784 H GLN 104 H GLN 104 -10.304 13.870 6.075 785 HA GLN 104 HA GLN 104 -8.401 12.314 4.862 786 1HB GLN 104 1HB GLN 104 -9.329 14.707 4.297 787 2HB GLN 104 2HB GLN 104 -7.890 15.249 5.145 788 1HG GLN 104 1HG GLN 104 -6.960 15.146 3.115 789 2HG GLN 104 2HG GLN 104 -6.812 13.426 3.478 790 1HE2 GLN 104 1HE2 GLN 104 -7.291 12.277 1.755 791 2HE2 GLN 104 2HE2 GLN 104 -8.588 12.577 0.654 792 H ASN 105 H ASN 105 -7.766 14.761 7.386 793 HA ASN 105 HA ASN 105 -5.026 14.250 7.623 794 1HB ASN 105 1HB ASN 105 -6.342 16.216 8.571 795 2HB ASN 105 2HB ASN 105 -6.777 15.152 9.906 796 1HD2 ASN 105 1HD2 ASN 105 -5.074 14.297 11.218 797 2HD2 ASN 105 2HD2 ASN 105 -3.590 15.166 11.383 798 H LYS 106 H LYS 106 -7.737 12.983 9.561 799 HA LYS 106 HA LYS 106 -6.337 11.432 11.354 800 1HB LYS 106 1HB LYS 106 -9.053 11.371 10.213 801 2HB LYS 106 2HB LYS 106 -8.497 9.848 10.892 802 1HG LYS 106 1HG LYS 106 -8.999 10.573 12.913 803 2HG LYS 106 2HG LYS 106 -7.826 11.877 12.739 804 1HD LYS 106 1HD LYS 106 -9.490 13.323 11.785 805 2HD LYS 106 2HD LYS 106 -10.668 12.012 11.737 806 1HE LYS 106 1HE LYS 106 -9.555 13.445 14.134 807 2HE LYS 106 2HE LYS 106 -11.234 13.332 13.610 808 1HZ LYS 106 1HZ LYS 106 -9.733 11.560 15.268 809 2HZ LYS 106 2HZ LYS 106 -10.454 10.736 13.980 810 3HZ LYS 106 3HZ LYS 106 -11.406 11.654 15.032 811 H ILE 107 H ILE 107 -7.339 10.582 8.064 812 HA ILE 107 HA ILE 107 -6.456 7.912 8.110 813 HB ILE 107 HB ILE 107 -6.523 9.717 5.690 814 1HG1 ILE 107 1HG1 ILE 107 -8.663 9.737 6.971 815 2HG1 ILE 107 2HG1 ILE 107 -8.822 9.056 5.361 816 1HG2 ILE 107 1HG2 ILE 107 -5.873 7.920 4.570 817 2HG2 ILE 107 2HG2 ILE 107 -7.325 7.075 5.102 818 3HG2 ILE 107 3HG2 ILE 107 -5.845 6.969 6.055 819 1HD1 ILE 107 1HD1 ILE 107 -9.699 7.948 7.728 820 2HD1 ILE 107 2HD1 ILE 107 -8.244 7.030 7.339 821 3HD1 ILE 107 3HD1 ILE 107 -9.561 7.133 6.171 822 H LEU 108 H LEU 108 -4.844 10.886 7.014 823 HA LEU 108 HA LEU 108 -2.429 9.649 6.243 824 1HB LEU 108 1HB LEU 108 -2.826 12.483 7.197 825 2HB LEU 108 2HB LEU 108 -1.466 11.882 6.272 826 HG LEU 108 HG LEU 108 -4.310 12.181 5.320 827 1HD1 LEU 108 1HD1 LEU 108 -1.771 13.491 4.368 828 2HD1 LEU 108 2HD1 LEU 108 -2.919 14.231 5.483 829 3HD1 LEU 108 3HD1 LEU 108 -3.414 13.839 3.842 830 1HD2 LEU 108 1HD2 LEU 108 -3.496 10.186 4.315 831 2HD2 LEU 108 2HD2 LEU 108 -1.923 10.916 3.989 832 3HD2 LEU 108 3HD2 LEU 108 -3.349 11.467 3.111 833 H THR 109 H THR 109 -3.395 11.263 9.273 834 HA THR 109 HA THR 109 -0.955 11.139 10.589 835 HB THR 109 HB THR 109 -2.677 10.783 12.653 836 HG1 THR 109 HG1 THR 109 -4.607 11.897 12.016 837 1HG2 THR 109 1HG2 THR 109 -2.455 13.376 11.147 838 2HG2 THR 109 2HG2 THR 109 -1.246 12.759 12.273 839 3HG2 THR 109 3HG2 THR 109 -2.864 13.160 12.849 840 H ILE 110 H ILE 110 -3.453 8.666 10.259 841 HA ILE 110 HA ILE 110 -2.035 6.827 11.982 842 HB ILE 110 HB ILE 110 -4.355 6.148 10.184 843 1HG1 ILE 110 1HG1 ILE 110 -4.754 6.849 13.060 844 2HG1 ILE 110 2HG1 ILE 110 -4.587 8.164 11.902 845 1HG2 ILE 110 1HG2 ILE 110 -2.939 4.371 11.354 846 2HG2 ILE 110 2HG2 ILE 110 -4.687 4.297 11.577 847 3HG2 ILE 110 3HG2 ILE 110 -3.663 4.960 12.851 848 1HD1 ILE 110 1HD1 ILE 110 -6.467 7.279 10.626 849 2HD1 ILE 110 2HD1 ILE 110 -6.917 7.623 12.298 850 3HD1 ILE 110 3HD1 ILE 110 -6.630 5.960 11.784 851 H LEU 111 H LEU 111 -2.591 7.238 8.511 852 HA LEU 111 HA LEU 111 -1.514 4.836 7.607 853 1HB LEU 111 1HB LEU 111 -1.585 7.575 6.362 854 2HB LEU 111 2HB LEU 111 -0.927 6.183 5.522 855 HG LEU 111 HG LEU 111 -3.723 6.131 6.614 856 1HD1 LEU 111 1HD1 LEU 111 -2.712 7.469 4.141 857 2HD1 LEU 111 2HD1 LEU 111 -3.940 8.008 5.287 858 3HD1 LEU 111 3HD1 LEU 111 -4.304 6.709 4.151 859 1HD2 LEU 111 1HD2 LEU 111 -2.186 4.624 4.523 860 2HD2 LEU 111 2HD2 LEU 111 -3.949 4.597 4.594 861 3HD2 LEU 111 3HD2 LEU 111 -3.002 4.000 5.957 862 H GLN 112 H GLN 112 0.090 7.785 8.646 863 HA GLN 112 HA GLN 112 2.688 6.874 7.764 864 1HB GLN 112 1HB GLN 112 2.162 9.180 9.630 865 2HB GLN 112 2HB GLN 112 3.542 8.934 8.567 866 1HG GLN 112 1HG GLN 112 2.046 9.216 6.624 867 2HG GLN 112 2HG GLN 112 0.727 9.565 7.732 868 1HE2 GLN 112 1HE2 GLN 112 0.446 11.589 8.409 869 2HE2 GLN 112 2HE2 GLN 112 1.546 12.892 8.133 870 H GLY 113 H GLY 113 0.763 6.729 10.644 871 1HA GLY 113 1HA GLY 113 3.047 5.980 12.300 872 2HA GLY 113 2HA GLY 113 1.393 6.202 12.849 Start of MODEL 18 1 1H MET 1 1H MET 1 17.896 -10.912 8.938 2 2H MET 1 2H MET 1 16.222 -11.184 8.672 3 3H MET 1 3H MET 1 16.751 -10.419 10.114 4 HA MET 1 HA MET 1 15.792 -8.906 8.488 5 1HB MET 1 1HB MET 1 17.728 -8.510 10.234 6 2HB MET 1 2HB MET 1 18.704 -8.278 8.789 7 1HG MET 1 1HG MET 1 17.092 -6.543 8.049 8 2HG MET 1 2HG MET 1 16.262 -6.717 9.594 9 1HE MET 1 1HE MET 1 17.649 -3.375 9.503 10 2HE MET 1 2HE MET 1 17.298 -4.388 8.103 11 3HE MET 1 3HE MET 1 18.943 -3.822 8.392 12 H GLY 2 H GLY 2 19.127 -9.735 7.508 13 1HA GLY 2 1HA GLY 2 19.414 -10.690 5.235 14 2HA GLY 2 2HA GLY 2 18.228 -9.509 4.701 15 H SER 3 H SER 3 20.924 -9.008 6.935 16 HA SER 3 HA SER 3 22.061 -7.111 4.985 17 1HB SER 3 1HB SER 3 22.070 -6.969 8.009 18 2HB SER 3 2HB SER 3 22.935 -5.855 6.954 19 HG SER 3 HG SER 3 20.658 -5.645 5.980 20 H SER 4 H SER 4 24.471 -6.602 5.757 21 HA SER 4 HA SER 4 25.926 -8.846 6.779 22 1HB SER 4 1HB SER 4 27.243 -8.741 4.387 23 2HB SER 4 2HB SER 4 26.034 -9.955 4.807 24 HG SER 4 HG SER 4 25.934 -8.197 2.851 25 H HIS 5 H HIS 5 26.934 -7.445 8.160 26 HA HIS 5 HA HIS 5 28.391 -5.861 8.901 27 1HB HIS 5 1HB HIS 5 29.698 -6.187 6.196 28 2HB HIS 5 2HB HIS 5 30.458 -5.633 7.683 29 HD1 HIS 5 HD1 HIS 5 28.492 -8.761 6.691 30 HD2 HIS 5 HD2 HIS 5 31.970 -7.612 8.705 31 HE1 HIS 5 HE1 HIS 5 29.592 -10.906 7.477 32 HE2 HIS 5 HE2 HIS 5 31.635 -10.176 8.761 33 H HIS 6 H HIS 6 26.008 -4.922 7.555 34 HA HIS 6 HA HIS 6 25.081 -2.954 6.881 35 1HB HIS 6 1HB HIS 6 26.728 -2.122 8.677 36 2HB HIS 6 2HB HIS 6 27.754 -1.633 7.333 37 HD1 HIS 6 HD1 HIS 6 27.580 0.820 7.175 38 HD2 HIS 6 HD2 HIS 6 23.866 -0.994 7.797 39 HE1 HIS 6 HE1 HIS 6 25.858 2.676 7.038 40 HE2 HIS 6 HE2 HIS 6 23.628 1.530 7.280 41 H HIS 7 H HIS 7 25.788 -0.889 5.343 42 HA HIS 7 HA HIS 7 25.945 -1.917 2.773 43 1HB HIS 7 1HB HIS 7 26.409 0.832 3.900 44 2HB HIS 7 2HB HIS 7 26.594 0.514 2.178 45 HD1 HIS 7 HD1 HIS 7 24.477 0.063 0.796 46 HD2 HIS 7 HD2 HIS 7 23.764 0.775 4.855 47 HE1 HIS 7 HE1 HIS 7 21.978 0.435 1.019 48 HE2 HIS 7 HE2 HIS 7 21.591 0.933 3.459 49 H HIS 8 H HIS 8 27.581 -1.798 1.172 50 HA HIS 8 HA HIS 8 30.078 -2.771 1.951 51 1HB HIS 8 1HB HIS 8 28.713 -2.366 -0.460 52 2HB HIS 8 2HB HIS 8 30.201 -1.439 -0.620 53 HD1 HIS 8 HD1 HIS 8 30.236 -3.557 -2.534 54 HD2 HIS 8 HD2 HIS 8 31.214 -4.328 1.456 55 HE1 HIS 8 HE1 HIS 8 31.583 -5.706 -2.542 56 HE2 HIS 8 HE2 HIS 8 32.231 -6.095 -0.137 57 H HIS 9 H HIS 9 29.065 0.511 1.097 58 HA HIS 9 HA HIS 9 31.023 1.731 2.712 59 1HB HIS 9 1HB HIS 9 32.245 0.800 0.521 60 2HB HIS 9 2HB HIS 9 31.663 2.328 -0.131 61 HD1 HIS 9 HD1 HIS 9 33.028 1.693 3.361 62 HD2 HIS 9 HD2 HIS 9 33.955 3.802 -0.128 63 HE1 HIS 9 HE1 HIS 9 35.049 3.120 3.916 64 HE2 HIS 9 HE2 HIS 9 35.530 4.440 1.824 65 H HIS 10 H HIS 10 29.125 2.115 -0.256 66 HA HIS 10 HA HIS 10 28.286 4.763 0.720 67 1HB HIS 10 1HB HIS 10 27.765 5.246 -1.710 68 2HB HIS 10 2HB HIS 10 29.472 5.078 -1.322 69 HD1 HIS 10 HD1 HIS 10 27.108 4.108 -3.784 70 HD2 HIS 10 HD2 HIS 10 30.317 2.207 -1.897 71 HE1 HIS 10 HE1 HIS 10 27.763 2.174 -5.286 72 HE2 HIS 10 HE2 HIS 10 29.600 0.969 -4.053 73 H HIS 11 H HIS 11 26.100 5.275 -0.743 74 HA HIS 11 HA HIS 11 24.271 3.065 -0.073 75 1HB HIS 11 1HB HIS 11 22.575 4.721 0.470 76 2HB HIS 11 2HB HIS 11 24.028 5.026 1.416 77 HD1 HIS 11 HD1 HIS 11 25.450 7.130 0.795 78 HD2 HIS 11 HD2 HIS 11 21.840 6.746 -1.277 79 HE1 HIS 11 HE1 HIS 11 25.016 9.382 -0.289 80 HE2 HIS 11 HE2 HIS 11 22.797 9.142 -1.459 81 H HIS 12 H HIS 12 23.162 2.232 -1.707 82 HA HIS 12 HA HIS 12 23.337 3.414 -4.330 83 1HB HIS 12 1HB HIS 12 22.357 0.837 -3.200 84 2HB HIS 12 2HB HIS 12 21.715 1.343 -4.759 85 HD1 HIS 12 HD1 HIS 12 22.913 -0.652 -5.913 86 HD2 HIS 12 HD2 HIS 12 25.458 2.098 -4.059 87 HE1 HIS 12 HE1 HIS 12 25.245 -1.159 -6.772 88 HE2 HIS 12 HE2 HIS 12 26.763 0.456 -5.573 89 H GLU 13 H GLU 13 20.450 2.009 -2.823 90 HA GLU 13 HA GLU 13 18.949 4.386 -2.694 91 1HB GLU 13 1HB GLU 13 19.273 3.814 -5.271 92 2HB GLU 13 2HB GLU 13 17.925 2.731 -4.950 93 1HG GLU 13 1HG GLU 13 16.488 4.487 -4.410 94 2HG GLU 13 2HG GLU 13 17.816 5.623 -4.182 95 H ASN 14 H ASN 14 17.514 3.963 -1.163 96 HA ASN 14 HA ASN 14 16.957 1.376 -0.226 97 1HB ASN 14 1HB ASN 14 15.114 2.525 1.072 98 2HB ASN 14 2HB ASN 14 16.727 3.195 1.296 99 1HD2 ASN 14 1HD2 ASN 14 17.098 5.271 0.796 100 2HD2 ASN 14 2HD2 ASN 14 15.920 6.345 0.130 101 H LEU 15 H LEU 15 15.938 -0.109 -1.411 102 HA LEU 15 HA LEU 15 13.899 0.601 -3.312 103 1HB LEU 15 1HB LEU 15 15.629 -1.581 -2.911 104 2HB LEU 15 2HB LEU 15 14.011 -2.224 -2.730 105 HG LEU 15 HG LEU 15 15.019 -0.697 -5.132 106 1HD1 LEU 15 1HD1 LEU 15 14.457 -3.109 -6.092 107 2HD1 LEU 15 2HD1 LEU 15 14.892 -3.579 -4.449 108 3HD1 LEU 15 3HD1 LEU 15 16.047 -2.698 -5.449 109 1HD2 LEU 15 1HD2 LEU 15 12.485 -2.279 -5.019 110 2HD2 LEU 15 2HD2 LEU 15 12.946 -0.976 -6.115 111 3HD2 LEU 15 3HD2 LEU 15 12.517 -0.613 -4.443 112 H TYR 16 H TYR 16 12.827 1.633 -1.221 113 HA TYR 16 HA TYR 16 11.304 -0.174 0.404 114 1HB TYR 16 1HB TYR 16 11.794 2.698 0.269 115 2HB TYR 16 2HB TYR 16 10.113 2.330 0.630 116 HD1 TYR 16 HD1 TYR 16 13.535 1.253 1.703 117 HD2 TYR 16 HD2 TYR 16 9.526 2.108 2.844 118 HE1 TYR 16 HE1 TYR 16 14.131 0.878 4.059 119 HE2 TYR 16 HE2 TYR 16 10.111 1.735 5.203 120 HH TYR 16 HH TYR 16 12.927 0.228 6.184 121 H PHE 17 H PHE 17 10.810 -0.838 -2.212 122 HA PHE 17 HA PHE 17 9.190 -1.199 -3.752 123 1HB PHE 17 1HB PHE 17 7.763 -0.948 -1.158 124 2HB PHE 17 2HB PHE 17 6.780 -0.947 -2.621 125 HD1 PHE 17 HD1 PHE 17 8.080 -2.807 -4.369 126 HD2 PHE 17 HD2 PHE 17 7.566 -3.009 -0.149 127 HE1 PHE 17 HE1 PHE 17 8.225 -5.260 -4.473 128 HE2 PHE 17 HE2 PHE 17 7.709 -5.463 -0.246 129 HZ PHE 17 HZ PHE 17 8.040 -6.592 -2.410 130 H GLN 18 H GLN 18 9.500 0.465 -5.182 131 HA GLN 18 HA GLN 18 8.008 2.950 -4.727 132 1HB GLN 18 1HB GLN 18 10.565 2.374 -5.855 133 2HB GLN 18 2HB GLN 18 9.562 3.082 -7.113 134 1HG GLN 18 1HG GLN 18 9.263 4.536 -4.652 135 2HG GLN 18 2HG GLN 18 10.965 4.408 -5.096 136 1HE2 GLN 18 1HE2 GLN 18 9.170 6.725 -5.067 137 2HE2 GLN 18 2HE2 GLN 18 9.210 7.374 -6.668 138 H GLY 19 H GLY 19 6.031 2.978 -5.549 139 1HA GLY 19 1HA GLY 19 4.385 2.953 -7.175 140 2HA GLY 19 2HA GLY 19 5.587 2.392 -8.328 141 H SER 20 H SER 20 4.914 0.789 -5.283 142 HA SER 20 HA SER 20 3.002 -1.057 -6.119 143 1HB SER 20 1HB SER 20 4.925 -2.992 -6.163 144 2HB SER 20 2HB SER 20 4.223 -2.262 -7.607 145 HG SER 20 HG SER 20 6.014 -1.154 -7.939 146 H LYS 21 H LYS 21 2.505 -0.426 -3.919 147 HA LYS 21 HA LYS 21 3.828 -2.185 -1.985 148 1HB LYS 21 1HB LYS 21 4.840 0.013 -1.675 149 2HB LYS 21 2HB LYS 21 3.249 0.745 -1.521 150 1HG LYS 21 1HG LYS 21 3.936 0.561 0.672 151 2HG LYS 21 2HG LYS 21 2.951 -0.888 0.461 152 1HD LYS 21 1HD LYS 21 5.424 -1.757 -0.317 153 2HD LYS 21 2HD LYS 21 5.822 -0.617 0.970 154 1HE LYS 21 1HE LYS 21 3.719 -2.009 2.041 155 2HE LYS 21 2HE LYS 21 4.558 -3.249 1.109 156 1HZ LYS 21 1HZ LYS 21 6.605 -2.061 2.334 157 2HZ LYS 21 2HZ LYS 21 5.790 -3.402 2.963 158 3HZ LYS 21 3HZ LYS 21 5.400 -1.848 3.503 159 H ARG 22 H ARG 22 1.351 0.348 -1.686 160 HA ARG 22 HA ARG 22 -0.514 -1.735 -0.764 161 1HB ARG 22 1HB ARG 22 -1.637 0.329 0.388 162 2HB ARG 22 2HB ARG 22 -0.247 -0.444 1.132 163 1HG ARG 22 1HG ARG 22 1.107 1.358 -0.181 164 2HG ARG 22 2HG ARG 22 -0.444 2.196 -0.231 165 1HD ARG 22 1HD ARG 22 0.363 3.044 1.717 166 2HD ARG 22 2HD ARG 22 -0.428 1.602 2.348 167 HE ARG 22 HE ARG 22 1.906 0.574 2.092 168 1HH1 ARG 22 1HH1 ARG 22 1.311 3.918 2.929 169 2HH1 ARG 22 2HH1 ARG 22 2.796 4.087 3.800 170 1HH2 ARG 22 1HH2 ARG 22 3.853 0.808 3.243 171 2HH2 ARG 22 2HH2 ARG 22 4.235 2.327 3.980 172 H LYS 23 H LYS 23 -2.652 -1.658 -1.445 173 HA LYS 23 HA LYS 23 -3.279 0.296 -3.547 174 1HB LYS 23 1HB LYS 23 -3.672 -2.696 -3.710 175 2HB LYS 23 2HB LYS 23 -4.335 -1.542 -4.859 176 1HG LYS 23 1HG LYS 23 -2.419 -1.413 -5.973 177 2HG LYS 23 2HG LYS 23 -1.490 -1.165 -4.495 178 1HD LYS 23 1HD LYS 23 -1.175 -3.456 -4.170 179 2HD LYS 23 2HD LYS 23 -2.511 -3.886 -5.239 180 1HE LYS 23 1HE LYS 23 -0.749 -4.357 -6.615 181 2HE LYS 23 2HE LYS 23 -1.011 -2.665 -7.035 182 1HZ LYS 23 1HZ LYS 23 1.208 -3.904 -5.639 183 2HZ LYS 23 2HZ LYS 23 0.689 -2.430 -4.992 184 3HZ LYS 23 3HZ LYS 23 1.175 -2.519 -6.610 185 H ILE 24 H ILE 24 -5.125 1.314 -3.135 186 HA ILE 24 HA ILE 24 -6.996 0.110 -1.236 187 HB ILE 24 HB ILE 24 -7.210 2.904 -2.320 188 1HG1 ILE 24 1HG1 ILE 24 -6.061 3.313 0.072 189 2HG1 ILE 24 2HG1 ILE 24 -5.297 1.782 -0.347 190 1HG2 ILE 24 1HG2 ILE 24 -7.967 2.017 0.429 191 2HG2 ILE 24 2HG2 ILE 24 -9.026 1.646 -0.928 192 3HG2 ILE 24 3HG2 ILE 24 -8.634 3.320 -0.553 193 1HD1 ILE 24 1HD1 ILE 24 -4.647 4.394 -1.228 194 2HD1 ILE 24 2HD1 ILE 24 -5.167 3.448 -2.623 195 3HD1 ILE 24 3HD1 ILE 24 -3.848 2.867 -1.605 196 H ILE 25 H ILE 25 -9.274 0.022 -1.657 197 HA ILE 25 HA ILE 25 -9.938 0.048 -4.520 198 HB ILE 25 HB ILE 25 -11.150 -1.925 -4.304 199 1HG1 ILE 25 1HG1 ILE 25 -11.423 -2.865 -1.829 200 2HG1 ILE 25 2HG1 ILE 25 -11.271 -1.164 -1.430 201 1HG2 ILE 25 1HG2 ILE 25 -8.769 -2.130 -2.477 202 2HG2 ILE 25 2HG2 ILE 25 -8.831 -2.486 -4.202 203 3HG2 ILE 25 3HG2 ILE 25 -9.676 -3.526 -3.057 204 1HD1 ILE 25 1HD1 ILE 25 -13.304 -0.655 -2.201 205 2HD1 ILE 25 2HD1 ILE 25 -13.602 -2.373 -1.961 206 3HD1 ILE 25 3HD1 ILE 25 -13.185 -1.767 -3.564 207 H VAL 26 H VAL 26 -11.981 0.795 -5.102 208 HA VAL 26 HA VAL 26 -13.653 1.832 -2.900 209 HB VAL 26 HB VAL 26 -12.376 3.702 -3.887 210 1HG1 VAL 26 1HG1 VAL 26 -13.970 3.314 -6.399 211 2HG1 VAL 26 2HG1 VAL 26 -12.358 2.627 -6.198 212 3HG1 VAL 26 3HG1 VAL 26 -12.588 4.373 -6.120 213 1HG2 VAL 26 1HG2 VAL 26 -14.115 4.964 -3.326 214 2HG2 VAL 26 2HG2 VAL 26 -15.151 3.540 -3.417 215 3HG2 VAL 26 3HG2 VAL 26 -14.934 4.566 -4.835 216 H ALA 27 H ALA 27 -15.713 1.186 -3.010 217 HA ALA 27 HA ALA 27 -16.744 0.322 -5.628 218 1HB ALA 27 1HB ALA 27 -17.315 -0.860 -2.919 219 2HB ALA 27 2HB ALA 27 -16.450 -1.619 -4.256 220 3HB ALA 27 3HB ALA 27 -18.177 -1.291 -4.396 221 H CYS 28 H CYS 28 -18.406 1.391 -6.383 222 HA CYS 28 HA CYS 28 -20.287 2.669 -4.523 223 1HB CYS 28 1HB CYS 28 -18.414 4.155 -5.720 224 2HB CYS 28 2HB CYS 28 -19.594 4.125 -7.023 225 HG CYS 28 HG CYS 28 -19.950 6.199 -5.407 226 H GLY 29 H GLY 29 -22.194 3.628 -5.954 227 1HA GLY 29 1HA GLY 29 -22.904 1.567 -7.950 228 2HA GLY 29 2HA GLY 29 -24.053 2.147 -6.753 229 H GLY 30 H GLY 30 -21.837 3.534 -9.188 230 1HA GLY 30 1HA GLY 30 -23.758 4.620 -10.853 231 2HA GLY 30 2HA GLY 30 -23.467 5.831 -9.615 232 H ALA 31 H ALA 31 -21.125 6.406 -9.270 233 HA ALA 31 HA ALA 31 -19.139 7.201 -10.046 234 1HB ALA 31 1HB ALA 31 -18.946 5.631 -12.490 235 2HB ALA 31 2HB ALA 31 -19.291 4.648 -11.067 236 3HB ALA 31 3HB ALA 31 -17.870 5.692 -11.093 237 H VAL 32 H VAL 32 -20.424 9.139 -10.490 238 HA VAL 32 HA VAL 32 -20.346 9.788 -13.352 239 HB VAL 32 HB VAL 32 -22.688 9.331 -12.809 240 1HG1 VAL 32 1HG1 VAL 32 -22.383 9.981 -10.364 241 2HG1 VAL 32 2HG1 VAL 32 -23.900 10.444 -11.137 242 3HG1 VAL 32 3HG1 VAL 32 -22.630 11.644 -10.896 243 1HG2 VAL 32 1HG2 VAL 32 -22.036 12.240 -13.266 244 2HG2 VAL 32 2HG2 VAL 32 -23.638 11.535 -13.487 245 3HG2 VAL 32 3HG2 VAL 32 -22.292 10.994 -14.489 246 H ALA 33 H ALA 33 -20.616 11.047 -10.045 247 HA ALA 33 HA ALA 33 -18.923 13.313 -10.858 248 1HB ALA 33 1HB ALA 33 -20.291 14.603 -9.053 249 2HB ALA 33 2HB ALA 33 -21.518 13.379 -9.382 250 3HB ALA 33 3HB ALA 33 -20.939 14.420 -10.683 251 H THR 34 H THR 34 -20.059 11.203 -8.293 252 HA THR 34 HA THR 34 -18.271 12.158 -6.295 253 HB THR 34 HB THR 34 -19.004 9.507 -5.682 254 HG1 THR 34 HG1 THR 34 -21.273 10.878 -6.646 255 1HG2 THR 34 1HG2 THR 34 -19.489 10.589 -3.832 256 2HG2 THR 34 2HG2 THR 34 -20.954 11.201 -4.604 257 3HG2 THR 34 3HG2 THR 34 -19.460 12.138 -4.674 258 H SER 35 H SER 35 -17.982 9.935 -8.919 259 HA SER 35 HA SER 35 -15.832 8.381 -7.898 260 1HB SER 35 1HB SER 35 -15.482 7.889 -10.409 261 2HB SER 35 2HB SER 35 -17.011 7.395 -9.682 262 HG SER 35 HG SER 35 -16.519 9.245 -11.636 263 H THR 36 H THR 36 -15.960 11.157 -10.122 264 HA THR 36 HA THR 36 -13.210 11.380 -10.577 265 HB THR 36 HB THR 36 -14.729 13.911 -10.446 266 HG1 THR 36 HG1 THR 36 -16.114 13.367 -12.085 267 1HG2 THR 36 1HG2 THR 36 -12.833 14.168 -11.698 268 2HG2 THR 36 2HG2 THR 36 -14.021 13.803 -12.950 269 3HG2 THR 36 3HG2 THR 36 -12.928 12.544 -12.377 270 H MET 37 H MET 37 -15.223 13.256 -8.300 271 HA MET 37 HA MET 37 -13.288 14.743 -7.065 272 1HB MET 37 1HB MET 37 -15.973 14.048 -6.531 273 2HB MET 37 2HB MET 37 -15.081 13.760 -5.044 274 1HG MET 37 1HG MET 37 -14.760 16.326 -6.543 275 2HG MET 37 2HG MET 37 -16.125 16.074 -5.456 276 1HE MET 37 1HE MET 37 -14.705 15.955 -1.992 277 2HE MET 37 2HE MET 37 -15.880 15.232 -3.090 278 3HE MET 37 3HE MET 37 -15.839 16.982 -2.870 279 H ALA 38 H ALA 38 -14.350 11.495 -6.040 280 HA ALA 38 HA ALA 38 -12.529 11.189 -3.941 281 1HB ALA 38 1HB ALA 38 -13.077 8.686 -5.286 282 2HB ALA 38 2HB ALA 38 -14.536 9.656 -5.090 283 3HB ALA 38 3HB ALA 38 -13.562 9.234 -3.682 284 H ALA 39 H ALA 39 -12.312 9.846 -7.234 285 HA ALA 39 HA ALA 39 -9.757 8.787 -7.064 286 1HB ALA 39 1HB ALA 39 -10.353 9.983 -9.668 287 2HB ALA 39 2HB ALA 39 -11.645 8.967 -9.027 288 3HB ALA 39 3HB ALA 39 -10.023 8.305 -9.236 289 H GLU 40 H GLU 40 -10.682 12.011 -8.274 290 HA GLU 40 HA GLU 40 -8.068 12.935 -8.725 291 1HB GLU 40 1HB GLU 40 -10.632 13.924 -9.099 292 2HB GLU 40 2HB GLU 40 -9.939 15.025 -7.918 293 1HG GLU 40 1HG GLU 40 -8.247 15.707 -9.369 294 2HG GLU 40 2HG GLU 40 -8.471 14.315 -10.429 295 H GLU 41 H GLU 41 -10.188 13.195 -5.896 296 HA GLU 41 HA GLU 41 -8.486 14.830 -4.356 297 1HB GLU 41 1HB GLU 41 -10.910 14.421 -3.899 298 2HB GLU 41 2HB GLU 41 -10.486 12.811 -3.333 299 1HG GLU 41 1HG GLU 41 -10.047 13.606 -1.321 300 2HG GLU 41 2HG GLU 41 -8.839 14.701 -1.992 301 H ILE 42 H ILE 42 -8.957 11.301 -4.324 302 HA ILE 42 HA ILE 42 -6.996 10.780 -2.376 303 HB ILE 42 HB ILE 42 -7.834 8.892 -4.578 304 1HG1 ILE 42 1HG1 ILE 42 -9.101 8.706 -1.914 305 2HG1 ILE 42 2HG1 ILE 42 -9.569 10.110 -2.866 306 1HG2 ILE 42 1HG2 ILE 42 -7.301 7.829 -1.917 307 2HG2 ILE 42 2HG2 ILE 42 -5.897 8.609 -2.646 308 3HG2 ILE 42 3HG2 ILE 42 -6.712 7.292 -3.491 309 1HD1 ILE 42 1HD1 ILE 42 -9.986 7.211 -3.450 310 2HD1 ILE 42 2HD1 ILE 42 -10.005 8.407 -4.747 311 3HD1 ILE 42 3HD1 ILE 42 -11.159 8.527 -3.418 312 H LYS 43 H LYS 43 -6.806 11.303 -5.814 313 HA LYS 43 HA LYS 43 -4.222 10.247 -6.253 314 1HB LYS 43 1HB LYS 43 -6.029 10.935 -7.964 315 2HB LYS 43 2HB LYS 43 -5.376 12.558 -7.794 316 1HG LYS 43 1HG LYS 43 -4.343 11.616 -9.687 317 2HG LYS 43 2HG LYS 43 -3.133 11.593 -8.403 318 1HD LYS 43 1HD LYS 43 -2.914 9.469 -9.277 319 2HD LYS 43 2HD LYS 43 -4.059 9.191 -7.964 320 1HE LYS 43 1HE LYS 43 -5.566 9.921 -10.238 321 2HE LYS 43 2HE LYS 43 -4.380 8.729 -10.768 322 1HZ LYS 43 1HZ LYS 43 -6.276 7.541 -10.070 323 2HZ LYS 43 2HZ LYS 43 -6.420 8.431 -8.640 324 3HZ LYS 43 3HZ LYS 43 -5.137 7.347 -8.834 325 H GLU 44 H GLU 44 -5.257 13.658 -5.928 326 HA GLU 44 HA GLU 44 -2.724 14.793 -5.868 327 1HB GLU 44 1HB GLU 44 -3.909 16.609 -4.428 328 2HB GLU 44 2HB GLU 44 -4.423 16.355 -6.090 329 1HG GLU 44 1HG GLU 44 -6.467 15.706 -5.482 330 2HG GLU 44 2HG GLU 44 -5.857 14.711 -4.165 331 H LEU 45 H LEU 45 -4.601 13.370 -3.246 332 HA LEU 45 HA LEU 45 -2.916 14.215 -1.137 333 1HB LEU 45 1HB LEU 45 -5.100 12.250 -1.480 334 2HB LEU 45 2HB LEU 45 -4.004 11.957 -0.142 335 HG LEU 45 HG LEU 45 -5.330 14.628 -0.517 336 1HD1 LEU 45 1HD1 LEU 45 -6.537 12.906 1.489 337 2HD1 LEU 45 2HD1 LEU 45 -6.756 12.299 -0.153 338 3HD1 LEU 45 3HD1 LEU 45 -7.294 13.926 0.266 339 1HD2 LEU 45 1HD2 LEU 45 -3.513 14.679 1.012 340 2HD2 LEU 45 2HD2 LEU 45 -4.045 13.190 1.794 341 3HD2 LEU 45 3HD2 LEU 45 -4.993 14.666 1.971 342 H CYS 46 H CYS 46 -3.221 10.993 -2.644 343 HA CYS 46 HA CYS 46 -1.079 9.774 -1.392 344 1HB CYS 46 1HB CYS 46 -2.107 9.326 -4.202 345 2HB CYS 46 2HB CYS 46 -1.037 8.228 -3.335 346 HG CYS 46 HG CYS 46 -2.949 7.349 -2.046 347 H GLN 47 H GLN 47 -1.096 11.839 -4.250 348 HA GLN 47 HA GLN 47 1.693 11.428 -4.808 349 1HB GLN 47 1HB GLN 47 -0.546 12.906 -6.007 350 2HB GLN 47 2HB GLN 47 1.014 13.698 -6.179 351 1HG GLN 47 1HG GLN 47 1.892 11.988 -7.455 352 2HG GLN 47 2HG GLN 47 0.725 10.808 -6.860 353 1HE2 GLN 47 1HE2 GLN 47 1.145 13.603 -8.942 354 2HE2 GLN 47 2HE2 GLN 47 -0.199 13.270 -9.974 355 H SER 48 H SER 48 -0.243 14.097 -3.469 356 HA SER 48 HA SER 48 1.762 15.962 -3.084 357 1HB SER 48 1HB SER 48 -0.743 15.395 -1.502 358 2HB SER 48 2HB SER 48 0.315 16.755 -1.131 359 HG SER 48 HG SER 48 -0.751 16.308 -3.715 360 H HIS 49 H HIS 49 0.805 13.285 -0.974 361 HA HIS 49 HA HIS 49 2.814 13.955 1.001 362 1HB HIS 49 1HB HIS 49 0.480 12.239 0.853 363 2HB HIS 49 2HB HIS 49 1.853 11.390 1.552 364 HD1 HIS 49 HD1 HIS 49 3.166 13.250 3.376 365 HD2 HIS 49 HD2 HIS 49 -0.984 13.253 2.869 366 HE1 HIS 49 HE1 HIS 49 2.200 14.308 5.469 367 HE2 HIS 49 HE2 HIS 49 -0.301 14.188 5.182 368 H ASN 50 H ASN 50 2.754 12.247 -1.910 369 HA ASN 50 HA ASN 50 4.299 10.987 -2.993 370 1HB ASN 50 1HB ASN 50 5.852 12.638 -1.688 371 2HB ASN 50 2HB ASN 50 6.212 11.229 -0.694 372 1HD2 ASN 50 1HD2 ASN 50 7.050 9.333 -1.779 373 2HD2 ASN 50 2HD2 ASN 50 8.015 9.528 -3.200 374 H ILE 51 H ILE 51 2.350 9.678 -1.544 375 HA ILE 51 HA ILE 51 3.734 7.423 -0.262 376 HB ILE 51 HB ILE 51 0.749 7.818 -0.342 377 1HG1 ILE 51 1HG1 ILE 51 2.415 8.612 2.025 378 2HG1 ILE 51 2HG1 ILE 51 2.135 9.760 0.721 379 1HG2 ILE 51 1HG2 ILE 51 1.162 5.655 0.332 380 2HG2 ILE 51 2HG2 ILE 51 1.089 6.501 1.876 381 3HG2 ILE 51 3HG2 ILE 51 2.652 6.087 1.171 382 1HD1 ILE 51 1HD1 ILE 51 -0.347 9.266 1.063 383 2HD1 ILE 51 2HD1 ILE 51 0.477 10.226 2.293 384 3HD1 ILE 51 3HD1 ILE 51 0.145 8.518 2.583 385 HA PRO 52 HA PRO 52 3.171 5.576 -4.407 386 1HB PRO 52 1HB PRO 52 4.437 3.340 -2.900 387 2HB PRO 52 2HB PRO 52 4.834 3.992 -4.494 388 1HG PRO 52 1HG PRO 52 6.371 4.536 -2.395 389 2HG PRO 52 2HG PRO 52 6.024 5.780 -3.611 390 1HD PRO 52 1HD PRO 52 4.889 5.440 -0.869 391 2HD PRO 52 2HD PRO 52 5.300 6.926 -1.747 392 H VAL 53 H VAL 53 1.025 5.118 -4.620 393 HA VAL 53 HA VAL 53 0.100 2.579 -3.569 394 HB VAL 53 HB VAL 53 -1.838 3.365 -2.454 395 1HG1 VAL 53 1HG1 VAL 53 0.373 5.217 -1.590 396 2HG1 VAL 53 2HG1 VAL 53 0.325 3.498 -1.214 397 3HG1 VAL 53 3HG1 VAL 53 -0.932 4.571 -0.599 398 1HG2 VAL 53 1HG2 VAL 53 -1.987 5.395 -4.165 399 2HG2 VAL 53 2HG2 VAL 53 -1.242 6.252 -2.818 400 3HG2 VAL 53 3HG2 VAL 53 -2.787 5.433 -2.595 401 H GLU 54 H GLU 54 -1.952 1.882 -4.535 402 HA GLU 54 HA GLU 54 -2.535 3.261 -7.075 403 1HB GLU 54 1HB GLU 54 -2.772 0.283 -6.822 404 2HB GLU 54 2HB GLU 54 -2.596 1.260 -8.272 405 1HG GLU 54 1HG GLU 54 -0.281 1.721 -6.781 406 2HG GLU 54 2HG GLU 54 -0.585 -0.011 -6.663 407 H LEU 55 H LEU 55 -4.553 3.990 -7.105 408 HA LEU 55 HA LEU 55 -6.539 2.855 -5.323 409 1HB LEU 55 1HB LEU 55 -6.125 5.337 -5.665 410 2HB LEU 55 2HB LEU 55 -6.889 5.156 -7.232 411 HG LEU 55 HG LEU 55 -8.928 4.283 -6.011 412 1HD1 LEU 55 1HD1 LEU 55 -7.159 4.399 -3.820 413 2HD1 LEU 55 2HD1 LEU 55 -8.865 3.954 -3.820 414 3HD1 LEU 55 3HD1 LEU 55 -8.392 5.631 -3.552 415 1HD2 LEU 55 1HD2 LEU 55 -9.801 6.375 -5.959 416 2HD2 LEU 55 2HD2 LEU 55 -8.284 6.756 -6.774 417 3HD2 LEU 55 3HD2 LEU 55 -8.449 7.038 -5.042 418 H ILE 56 H ILE 56 -7.784 1.247 -5.947 419 HA ILE 56 HA ILE 56 -8.404 0.918 -8.802 420 HB ILE 56 HB ILE 56 -7.252 -0.968 -7.698 421 1HG1 ILE 56 1HG1 ILE 56 -9.996 -1.968 -8.297 422 2HG1 ILE 56 2HG1 ILE 56 -9.112 -1.122 -9.561 423 1HG2 ILE 56 1HG2 ILE 56 -7.874 -1.158 -5.528 424 2HG2 ILE 56 2HG2 ILE 56 -8.936 -2.374 -6.239 425 3HG2 ILE 56 3HG2 ILE 56 -9.560 -0.771 -5.865 426 1HD1 ILE 56 1HD1 ILE 56 -8.514 -3.733 -8.251 427 2HD1 ILE 56 2HD1 ILE 56 -7.211 -2.796 -8.982 428 3HD1 ILE 56 3HD1 ILE 56 -8.577 -3.326 -9.966 429 H GLN 57 H GLN 57 -10.561 0.421 -9.458 430 HA GLN 57 HA GLN 57 -12.623 1.133 -7.479 431 1HB GLN 57 1HB GLN 57 -13.867 1.981 -9.601 432 2HB GLN 57 2HB GLN 57 -12.619 2.993 -8.885 433 1HG GLN 57 1HG GLN 57 -11.733 1.105 -10.969 434 2HG GLN 57 2HG GLN 57 -12.759 2.437 -11.499 435 1HE2 GLN 57 1HE2 GLN 57 -11.111 3.419 -12.649 436 2HE2 GLN 57 2HE2 GLN 57 -9.788 4.219 -11.878 437 H CYS 58 H CYS 58 -14.411 -0.188 -7.401 438 HA CYS 58 HA CYS 58 -15.097 -1.955 -9.545 439 1HB CYS 58 1HB CYS 58 -13.384 -2.901 -7.362 440 2HB CYS 58 2HB CYS 58 -14.819 -3.889 -7.616 441 HG CYS 58 HG CYS 58 -13.685 -3.637 -10.273 442 H ARG 59 H ARG 59 -16.978 -3.442 -8.846 443 HA ARG 59 HA ARG 59 -18.924 -1.831 -7.562 444 1HB ARG 59 1HB ARG 59 -18.978 -4.732 -8.414 445 2HB ARG 59 2HB ARG 59 -20.384 -3.831 -7.870 446 1HG ARG 59 1HG ARG 59 -20.674 -3.516 -10.076 447 2HG ARG 59 2HG ARG 59 -19.541 -2.190 -9.808 448 1HD ARG 59 1HD ARG 59 -17.718 -3.458 -10.623 449 2HD ARG 59 2HD ARG 59 -18.643 -4.958 -10.572 450 HE ARG 59 HE ARG 59 -18.655 -2.973 -12.654 451 1HH1 ARG 59 1HH1 ARG 59 -20.434 -5.587 -11.177 452 2HH1 ARG 59 2HH1 ARG 59 -21.371 -5.916 -12.595 453 1HH2 ARG 59 1HH2 ARG 59 -19.886 -3.408 -14.521 454 2HH2 ARG 59 2HH2 ARG 59 -21.060 -4.680 -14.492 455 H VAL 60 H VAL 60 -20.411 -3.706 -6.097 456 HA VAL 60 HA VAL 60 -18.922 -3.699 -3.600 457 HB VAL 60 HB VAL 60 -21.176 -4.659 -2.716 458 1HG1 VAL 60 1HG1 VAL 60 -20.440 -1.913 -3.512 459 2HG1 VAL 60 2HG1 VAL 60 -20.825 -2.574 -1.923 460 3HG1 VAL 60 3HG1 VAL 60 -22.122 -2.176 -3.050 461 1HG2 VAL 60 1HG2 VAL 60 -21.830 -4.842 -5.324 462 2HG2 VAL 60 2HG2 VAL 60 -22.488 -3.248 -4.951 463 3HG2 VAL 60 3HG2 VAL 60 -23.014 -4.657 -4.030 464 H ASN 61 H ASN 61 -19.392 -5.863 -6.118 465 HA ASN 61 HA ASN 61 -18.673 -8.107 -4.365 466 1HB ASN 61 1HB ASN 61 -20.955 -7.904 -6.193 467 2HB ASN 61 2HB ASN 61 -19.978 -9.347 -6.446 468 1HD2 ASN 61 1HD2 ASN 61 -19.398 -10.531 -4.406 469 2HD2 ASN 61 2HD2 ASN 61 -20.648 -10.704 -3.225 470 H GLU 62 H GLU 62 -16.599 -7.026 -5.216 471 HA GLU 62 HA GLU 62 -15.562 -8.743 -7.302 472 1HB GLU 62 1HB GLU 62 -16.474 -6.407 -8.218 473 2HB GLU 62 2HB GLU 62 -14.888 -5.873 -7.681 474 1HG GLU 62 1HG GLU 62 -14.044 -6.601 -9.585 475 2HG GLU 62 2HG GLU 62 -14.444 -8.245 -9.090 476 H ILE 63 H ILE 63 -15.051 -6.327 -4.824 477 HA ILE 63 HA ILE 63 -12.308 -6.161 -4.732 478 HB ILE 63 HB ILE 63 -13.914 -6.340 -2.213 479 1HG1 ILE 63 1HG1 ILE 63 -13.953 -3.682 -2.892 480 2HG1 ILE 63 2HG1 ILE 63 -14.243 -4.454 -4.441 481 1HG2 ILE 63 1HG2 ILE 63 -11.855 -4.283 -2.776 482 2HG2 ILE 63 2HG2 ILE 63 -11.319 -5.941 -2.509 483 3HG2 ILE 63 3HG2 ILE 63 -12.248 -5.105 -1.268 484 1HD1 ILE 63 1HD1 ILE 63 -15.819 -5.467 -2.176 485 2HD1 ILE 63 2HD1 ILE 63 -16.292 -5.154 -3.846 486 3HD1 ILE 63 3HD1 ILE 63 -16.173 -3.819 -2.698 487 H GLU 64 H GLU 64 -14.376 -8.743 -3.642 488 HA GLU 64 HA GLU 64 -12.287 -10.093 -2.219 489 1HB GLU 64 1HB GLU 64 -13.862 -11.860 -1.883 490 2HB GLU 64 2HB GLU 64 -14.729 -10.343 -1.704 491 1HG GLU 64 1HG GLU 64 -16.141 -10.865 -3.326 492 2HG GLU 64 2HG GLU 64 -14.832 -11.276 -4.431 493 H THR 65 H THR 65 -13.504 -10.064 -5.490 494 HA THR 65 HA THR 65 -12.180 -12.498 -6.267 495 HB THR 65 HB THR 65 -12.865 -10.660 -8.433 496 HG1 THR 65 HG1 THR 65 -15.050 -10.585 -8.020 497 1HG2 THR 65 1HG2 THR 65 -14.091 -13.310 -7.730 498 2HG2 THR 65 2HG2 THR 65 -12.605 -13.124 -8.661 499 3HG2 THR 65 3HG2 THR 65 -14.124 -12.481 -9.286 500 H TYR 66 H TYR 66 -11.570 -9.026 -6.745 501 HA TYR 66 HA TYR 66 -9.006 -9.646 -7.996 502 1HB TYR 66 1HB TYR 66 -8.844 -7.310 -8.555 503 2HB TYR 66 2HB TYR 66 -10.456 -7.875 -8.972 504 HD1 TYR 66 HD1 TYR 66 -12.330 -6.767 -8.180 505 HD2 TYR 66 HD2 TYR 66 -8.574 -6.055 -6.323 506 HE1 TYR 66 HE1 TYR 66 -13.329 -4.951 -6.869 507 HE2 TYR 66 HE2 TYR 66 -9.563 -4.231 -5.006 508 HH TYR 66 HH TYR 66 -12.923 -3.226 -5.493 509 H MET 67 H MET 67 -9.838 -9.855 -5.004 510 HA MET 67 HA MET 67 -8.076 -8.031 -3.675 511 1HB MET 67 1HB MET 67 -10.146 -9.777 -2.905 512 2HB MET 67 2HB MET 67 -8.708 -10.338 -2.068 513 1HG MET 67 1HG MET 67 -9.222 -7.431 -2.015 514 2HG MET 67 2HG MET 67 -10.327 -8.453 -1.099 515 1HE MET 67 1HE MET 67 -7.824 -10.375 1.232 516 2HE MET 67 2HE MET 67 -8.891 -10.741 -0.125 517 3HE MET 67 3HE MET 67 -9.495 -9.810 1.246 518 H ASP 68 H ASP 68 -6.482 -9.076 -5.525 519 HA ASP 68 HA ASP 68 -5.098 -11.419 -4.636 520 1HB ASP 68 1HB ASP 68 -5.216 -9.877 -7.000 521 2HB ASP 68 2HB ASP 68 -3.543 -9.819 -6.457 522 H GLY 69 H GLY 69 -4.465 -7.931 -4.592 523 1HA GLY 69 1HA GLY 69 -2.684 -8.322 -2.321 524 2HA GLY 69 2HA GLY 69 -1.956 -7.631 -3.763 525 H VAL 70 H VAL 70 -4.925 -7.155 -1.839 526 HA VAL 70 HA VAL 70 -4.669 -4.270 -2.252 527 HB VAL 70 HB VAL 70 -6.944 -5.615 -0.816 528 1HG1 VAL 70 1HG1 VAL 70 -6.588 -3.106 -0.792 529 2HG1 VAL 70 2HG1 VAL 70 -8.166 -3.669 -1.339 530 3HG1 VAL 70 3HG1 VAL 70 -6.964 -3.136 -2.514 531 1HG2 VAL 70 1HG2 VAL 70 -6.268 -5.752 -3.664 532 2HG2 VAL 70 2HG2 VAL 70 -7.908 -5.193 -3.329 533 3HG2 VAL 70 3HG2 VAL 70 -7.359 -6.747 -2.702 534 H HIS 71 H HIS 71 -4.039 -2.915 -0.697 535 HA HIS 71 HA HIS 71 -3.359 -4.029 1.908 536 1HB HIS 71 1HB HIS 71 -1.784 -2.577 0.504 537 2HB HIS 71 2HB HIS 71 -2.806 -1.220 0.965 538 HD1 HIS 71 HD1 HIS 71 -3.092 -0.968 3.706 539 HD2 HIS 71 HD2 HIS 71 0.231 -3.042 2.246 540 HE1 HIS 71 HE1 HIS 71 -1.402 -1.015 5.598 541 HE2 HIS 71 HE2 HIS 71 0.619 -2.192 4.658 542 H LEU 72 H LEU 72 -5.672 -1.896 0.430 543 HA LEU 72 HA LEU 72 -7.080 -1.662 2.957 544 1HB LEU 72 1HB LEU 72 -6.374 0.798 1.351 545 2HB LEU 72 2HB LEU 72 -7.347 0.755 2.807 546 HG LEU 72 HG LEU 72 -4.686 -0.368 3.222 547 1HD1 LEU 72 1HD1 LEU 72 -4.534 2.554 2.935 548 2HD1 LEU 72 2HD1 LEU 72 -4.555 1.628 1.435 549 3HD1 LEU 72 3HD1 LEU 72 -3.314 1.314 2.647 550 1HD2 LEU 72 1HD2 LEU 72 -5.054 1.863 4.830 551 2HD2 LEU 72 2HD2 LEU 72 -5.391 0.185 5.255 552 3HD2 LEU 72 3HD2 LEU 72 -6.675 1.206 4.606 553 H ILE 73 H ILE 73 -9.315 -1.378 2.687 554 HA ILE 73 HA ILE 73 -10.238 -1.165 -0.089 555 HB ILE 73 HB ILE 73 -10.677 -3.380 0.118 556 1HG1 ILE 73 1HG1 ILE 73 -13.054 -2.166 1.532 557 2HG1 ILE 73 2HG1 ILE 73 -12.881 -2.449 -0.194 558 1HG2 ILE 73 1HG2 ILE 73 -11.153 -4.556 2.205 559 2HG2 ILE 73 2HG2 ILE 73 -11.072 -3.033 3.070 560 3HG2 ILE 73 3HG2 ILE 73 -9.638 -3.666 2.274 561 1HD1 ILE 73 1HD1 ILE 73 -13.307 -4.686 0.001 562 2HD1 ILE 73 2HD1 ILE 73 -14.301 -4.045 1.305 563 3HD1 ILE 73 3HD1 ILE 73 -12.734 -4.766 1.664 564 H CYS 74 H CYS 74 -12.102 -0.009 -0.454 565 HA CYS 74 HA CYS 74 -13.374 1.219 1.898 566 1HB CYS 74 1HB CYS 74 -12.415 2.521 -0.640 567 2HB CYS 74 2HB CYS 74 -13.672 3.256 0.347 568 HG CYS 74 HG CYS 74 -10.757 2.816 1.342 569 H THR 75 H THR 75 -15.374 0.375 1.981 570 HA THR 75 HA THR 75 -16.937 0.317 -0.513 571 HB THR 75 HB THR 75 -18.108 -1.565 1.163 572 HG1 THR 75 HG1 THR 75 -16.030 -2.902 1.408 573 1HG2 THR 75 1HG2 THR 75 -17.848 -1.833 -1.240 574 2HG2 THR 75 2HG2 THR 75 -17.248 -3.247 -0.371 575 3HG2 THR 75 3HG2 THR 75 -16.112 -2.070 -1.033 576 H THR 76 H THR 76 -18.998 1.115 -0.417 577 HA THR 76 HA THR 76 -19.713 2.496 2.068 578 HB THR 76 HB THR 76 -21.527 3.332 0.166 579 HG1 THR 76 HG1 THR 76 -20.182 3.785 -1.663 580 1HG2 THR 76 1HG2 THR 76 -19.146 4.428 1.417 581 2HG2 THR 76 2HG2 THR 76 -20.707 5.178 1.088 582 3HG2 THR 76 3HG2 THR 76 -19.477 5.113 -0.173 583 H ALA 77 H ALA 77 -20.224 0.120 2.707 584 HA ALA 77 HA ALA 77 -23.102 -0.130 2.641 585 1HB ALA 77 1HB ALA 77 -22.102 -2.747 2.040 586 2HB ALA 77 2HB ALA 77 -21.583 -1.610 0.795 587 3HB ALA 77 3HB ALA 77 -23.296 -1.783 1.171 588 H ARG 78 H ARG 78 -23.895 -1.069 4.460 589 HA ARG 78 HA ARG 78 -22.131 -1.461 6.651 590 1HB ARG 78 1HB ARG 78 -24.895 -1.059 6.295 591 2HB ARG 78 2HB ARG 78 -24.740 -2.602 7.122 592 1HG ARG 78 1HG ARG 78 -23.402 -1.547 8.864 593 2HG ARG 78 2HG ARG 78 -23.528 0.002 8.029 594 1HD ARG 78 1HD ARG 78 -26.065 -1.394 8.634 595 2HD ARG 78 2HD ARG 78 -25.173 -0.741 10.007 596 HE ARG 78 HE ARG 78 -25.619 1.065 7.776 597 1HH1 ARG 78 1HH1 ARG 78 -26.663 -0.021 10.929 598 2HH1 ARG 78 2HH1 ARG 78 -27.538 1.432 11.273 599 1HH2 ARG 78 1HH2 ARG 78 -26.773 2.972 8.233 600 2HH2 ARG 78 2HH2 ARG 78 -27.604 3.127 9.745 601 H VAL 79 H VAL 79 -20.725 -3.111 5.858 602 HA VAL 79 HA VAL 79 -21.769 -5.744 5.317 603 HB VAL 79 HB VAL 79 -19.345 -6.402 5.243 604 1HG1 VAL 79 1HG1 VAL 79 -18.955 -4.575 3.283 605 2HG1 VAL 79 2HG1 VAL 79 -20.702 -4.469 3.498 606 3HG1 VAL 79 3HG1 VAL 79 -19.954 -6.019 3.114 607 1HG2 VAL 79 1HG2 VAL 79 -17.664 -4.629 5.230 608 2HG2 VAL 79 2HG2 VAL 79 -18.481 -4.716 6.790 609 3HG2 VAL 79 3HG2 VAL 79 -18.900 -3.444 5.644 610 H ASP 80 H ASP 80 -20.212 -7.541 6.524 611 HA ASP 80 HA ASP 80 -20.998 -7.289 9.325 612 1HB ASP 80 1HB ASP 80 -21.520 -9.321 7.824 613 2HB ASP 80 2HB ASP 80 -19.826 -9.750 8.045 614 H ARG 81 H ARG 81 -18.193 -7.262 7.335 615 HA ARG 81 HA ARG 81 -15.953 -7.192 7.760 616 1HB ARG 81 1HB ARG 81 -17.040 -5.133 8.995 617 2HB ARG 81 2HB ARG 81 -16.523 -5.995 10.438 618 1HG ARG 81 1HG ARG 81 -14.252 -5.872 9.821 619 2HG ARG 81 2HG ARG 81 -14.650 -5.369 8.179 620 1HD ARG 81 1HD ARG 81 -14.882 -3.211 8.771 621 2HD ARG 81 2HD ARG 81 -15.713 -3.614 10.271 622 HE ARG 81 HE ARG 81 -12.893 -3.145 9.915 623 1HH1 ARG 81 1HH1 ARG 81 -15.343 -4.598 11.930 624 2HH1 ARG 81 2HH1 ARG 81 -14.354 -4.596 13.351 625 1HH2 ARG 81 1HH2 ARG 81 -11.586 -3.148 11.784 626 2HH2 ARG 81 2HH2 ARG 81 -12.222 -3.775 13.268 627 H SER 82 H SER 82 -16.936 -9.676 8.345 628 HA SER 82 HA SER 82 -15.280 -10.434 10.649 629 1HB SER 82 1HB SER 82 -18.005 -11.581 9.992 630 2HB SER 82 2HB SER 82 -16.933 -12.160 11.267 631 HG SER 82 HG SER 82 -17.941 -9.512 11.109 632 H PHE 83 H PHE 83 -15.611 -10.652 7.422 633 HA PHE 83 HA PHE 83 -14.920 -13.477 7.209 634 1HB PHE 83 1HB PHE 83 -15.039 -13.070 4.743 635 2HB PHE 83 2HB PHE 83 -16.542 -12.749 5.596 636 HD1 PHE 83 HD1 PHE 83 -17.112 -10.330 6.136 637 HD2 PHE 83 HD2 PHE 83 -14.047 -11.449 3.403 638 HE1 PHE 83 HE1 PHE 83 -17.202 -8.090 5.124 639 HE2 PHE 83 HE2 PHE 83 -14.131 -9.210 2.388 640 HZ PHE 83 HZ PHE 83 -15.709 -7.526 3.249 641 H GLY 84 H GLY 84 -12.858 -13.728 7.875 642 1HA GLY 84 1HA GLY 84 -10.574 -13.837 7.522 643 2HA GLY 84 2HA GLY 84 -10.775 -12.795 6.120 644 H ASP 85 H ASP 85 -9.808 -10.891 6.282 645 HA ASP 85 HA ASP 85 -9.972 -9.339 8.707 646 1HB ASP 85 1HB ASP 85 -7.610 -10.911 8.122 647 2HB ASP 85 2HB ASP 85 -7.226 -9.192 8.151 648 H ILE 86 H ILE 86 -10.753 -9.215 5.881 649 HA ILE 86 HA ILE 86 -9.208 -7.498 4.350 650 HB ILE 86 HB ILE 86 -11.251 -8.716 3.592 651 1HG1 ILE 86 1HG1 ILE 86 -11.956 -6.005 2.810 652 2HG1 ILE 86 2HG1 ILE 86 -10.221 -6.285 2.735 653 1HG2 ILE 86 1HG2 ILE 86 -13.005 -6.505 4.427 654 2HG2 ILE 86 2HG2 ILE 86 -12.479 -7.591 5.712 655 3HG2 ILE 86 3HG2 ILE 86 -13.327 -8.231 4.312 656 1HD1 ILE 86 1HD1 ILE 86 -12.135 -8.206 1.482 657 2HD1 ILE 86 2HD1 ILE 86 -10.435 -7.915 1.109 658 3HD1 ILE 86 3HD1 ILE 86 -11.655 -6.725 0.654 659 HA PRO 87 HA PRO 87 -9.567 -3.961 7.198 660 1HB PRO 87 1HB PRO 87 -7.680 -2.447 5.942 661 2HB PRO 87 2HB PRO 87 -7.289 -3.713 7.111 662 1HG PRO 87 1HG PRO 87 -7.261 -3.823 4.117 663 2HG PRO 87 2HG PRO 87 -6.073 -4.459 5.272 664 1HD PRO 87 1HD PRO 87 -7.900 -6.051 4.090 665 2HD PRO 87 2HD PRO 87 -7.349 -6.323 5.754 666 H LEU 88 H LEU 88 -11.766 -3.785 6.052 667 HA LEU 88 HA LEU 88 -11.721 -1.767 3.937 668 1HB LEU 88 1HB LEU 88 -14.251 -2.247 3.904 669 2HB LEU 88 2HB LEU 88 -13.142 -3.406 3.209 670 HG LEU 88 HG LEU 88 -13.305 -4.733 5.332 671 1HD1 LEU 88 1HD1 LEU 88 -15.830 -3.700 6.189 672 2HD1 LEU 88 2HD1 LEU 88 -14.627 -2.415 6.253 673 3HD1 LEU 88 3HD1 LEU 88 -14.347 -3.925 7.114 674 1HD2 LEU 88 1HD2 LEU 88 -15.857 -5.257 4.823 675 2HD2 LEU 88 2HD2 LEU 88 -14.568 -5.707 3.707 676 3HD2 LEU 88 3HD2 LEU 88 -15.517 -4.249 3.417 677 H VAL 89 H VAL 89 -13.161 0.008 3.946 678 HA VAL 89 HA VAL 89 -14.162 0.863 6.549 679 HB VAL 89 HB VAL 89 -13.043 3.010 6.496 680 1HG1 VAL 89 1HG1 VAL 89 -11.180 0.658 6.237 681 2HG1 VAL 89 2HG1 VAL 89 -11.902 1.301 7.712 682 3HG1 VAL 89 3HG1 VAL 89 -10.692 2.242 6.840 683 1HG2 VAL 89 1HG2 VAL 89 -11.665 3.789 4.829 684 2HG2 VAL 89 2HG2 VAL 89 -12.824 2.860 3.880 685 3HG2 VAL 89 3HG2 VAL 89 -11.247 2.171 4.266 686 H HIS 90 H HIS 90 -15.624 2.645 6.447 687 HA HIS 90 HA HIS 90 -17.136 2.672 3.982 688 1HB HIS 90 1HB HIS 90 -17.619 3.897 6.701 689 2HB HIS 90 2HB HIS 90 -18.721 4.097 5.342 690 HD1 HIS 90 HD1 HIS 90 -19.776 2.760 7.846 691 HD2 HIS 90 HD2 HIS 90 -17.989 0.672 4.696 692 HE1 HIS 90 HE1 HIS 90 -20.619 0.373 8.013 693 HE2 HIS 90 HE2 HIS 90 -19.606 -0.830 6.044 694 H GLY 91 H GLY 91 -17.673 4.526 2.779 695 1HA GLY 91 1HA GLY 91 -15.802 6.782 3.160 696 2HA GLY 91 2HA GLY 91 -16.308 6.197 1.583 697 H MET 92 H MET 92 -18.777 6.217 3.937 698 HA MET 92 HA MET 92 -20.453 7.915 2.532 699 1HB MET 92 1HB MET 92 -20.594 7.529 5.518 700 2HB MET 92 2HB MET 92 -21.914 7.858 4.406 701 1HG MET 92 1HG MET 92 -21.080 5.576 3.344 702 2HG MET 92 2HG MET 92 -20.517 5.319 4.994 703 1HE MET 92 1HE MET 92 -24.183 7.315 4.378 704 2HE MET 92 2HE MET 92 -24.760 5.905 3.491 705 3HE MET 92 3HE MET 92 -23.300 6.740 2.965 706 HA PRO 93 HA PRO 93 -19.063 11.507 5.453 707 1HB PRO 93 1HB PRO 93 -16.620 11.352 6.586 708 2HB PRO 93 2HB PRO 93 -18.064 10.685 7.358 709 1HG PRO 93 1HG PRO 93 -15.946 9.284 5.774 710 2HG PRO 93 2HG PRO 93 -16.713 8.790 7.294 711 1HD PRO 93 1HD PRO 93 -17.436 7.790 4.883 712 2HD PRO 93 2HD PRO 93 -18.574 7.961 6.230 713 H PHE 94 H PHE 94 -16.586 9.828 3.588 714 HA PHE 94 HA PHE 94 -15.035 12.047 2.856 715 1HB PHE 94 1HB PHE 94 -14.913 9.341 2.387 716 2HB PHE 94 2HB PHE 94 -15.293 9.972 0.789 717 HD1 PHE 94 HD1 PHE 94 -13.835 12.561 0.891 718 HD2 PHE 94 HD2 PHE 94 -12.694 8.665 2.170 719 HE1 PHE 94 HE1 PHE 94 -11.469 13.146 0.557 720 HE2 PHE 94 HE2 PHE 94 -10.328 9.247 1.844 721 HZ PHE 94 HZ PHE 94 -9.713 11.489 1.035 722 H VAL 95 H VAL 95 -17.981 10.699 1.538 723 HA VAL 95 HA VAL 95 -18.028 12.302 -0.824 724 HB VAL 95 HB VAL 95 -20.359 10.926 0.506 725 1HG1 VAL 95 1HG1 VAL 95 -20.229 12.584 -1.731 726 2HG1 VAL 95 2HG1 VAL 95 -21.564 11.537 -1.252 727 3HG1 VAL 95 3HG1 VAL 95 -20.339 10.945 -2.367 728 1HG2 VAL 95 1HG2 VAL 95 -19.455 9.347 -1.609 729 2HG2 VAL 95 2HG2 VAL 95 -19.333 8.990 0.113 730 3HG2 VAL 95 3HG2 VAL 95 -18.002 9.797 -0.715 731 H SER 96 H SER 96 -18.941 12.831 2.463 732 HA SER 96 HA SER 96 -21.014 14.659 2.219 733 1HB SER 96 1HB SER 96 -18.847 14.291 4.262 734 2HB SER 96 2HB SER 96 -19.953 15.655 4.387 735 HG SER 96 HG SER 96 -21.554 14.338 4.863 736 H GLY 97 H GLY 97 -17.538 15.143 1.881 737 1HA GLY 97 1HA GLY 97 -16.481 16.847 0.681 738 2HA GLY 97 2HA GLY 97 -18.040 17.632 0.475 739 H VAL 98 H VAL 98 -17.966 17.012 3.654 740 HA VAL 98 HA VAL 98 -16.482 19.458 4.333 741 HB VAL 98 HB VAL 98 -18.886 19.956 4.267 742 1HG1 VAL 98 1HG1 VAL 98 -20.309 18.911 6.094 743 2HG1 VAL 98 2HG1 VAL 98 -19.050 17.683 6.224 744 3HG1 VAL 98 3HG1 VAL 98 -19.922 17.893 4.707 745 1HG2 VAL 98 1HG2 VAL 98 -18.699 20.145 7.114 746 2HG2 VAL 98 2HG2 VAL 98 -18.496 21.409 5.900 747 3HG2 VAL 98 3HG2 VAL 98 -17.112 20.443 6.406 748 H GLY 99 H GLY 99 -16.748 16.189 4.841 749 1HA GLY 99 1HA GLY 99 -15.848 16.396 7.641 750 2HA GLY 99 2HA GLY 99 -16.576 14.964 6.929 751 H ILE 100 H ILE 100 -14.601 16.031 4.577 752 HA ILE 100 HA ILE 100 -12.735 13.969 4.805 753 HB ILE 100 HB ILE 100 -12.320 16.571 3.334 754 1HG1 ILE 100 1HG1 ILE 100 -13.151 14.731 1.474 755 2HG1 ILE 100 2HG1 ILE 100 -14.155 14.329 2.864 756 1HG2 ILE 100 1HG2 ILE 100 -10.672 15.533 2.113 757 2HG2 ILE 100 2HG2 ILE 100 -11.296 13.917 2.442 758 3HG2 ILE 100 3HG2 ILE 100 -10.434 14.801 3.698 759 1HD1 ILE 100 1HD1 ILE 100 -14.321 16.565 1.042 760 2HD1 ILE 100 2HD1 ILE 100 -14.289 17.080 2.729 761 3HD1 ILE 100 3HD1 ILE 100 -15.513 15.936 2.179 762 H GLU 101 H GLU 101 -12.524 17.362 5.785 763 HA GLU 101 HA GLU 101 -9.860 17.600 6.369 764 1HB GLU 101 1HB GLU 101 -10.565 19.215 8.158 765 2HB GLU 101 2HB GLU 101 -11.279 19.500 6.576 766 1HG GLU 101 1HG GLU 101 -13.255 18.105 7.476 767 2HG GLU 101 2HG GLU 101 -12.558 18.444 9.060 768 H ALA 102 H ALA 102 -12.370 16.431 8.621 769 HA ALA 102 HA ALA 102 -10.460 15.710 10.623 770 1HB ALA 102 1HB ALA 102 -13.039 16.268 10.792 771 2HB ALA 102 2HB ALA 102 -12.245 15.201 11.950 772 3HB ALA 102 3HB ALA 102 -13.182 14.518 10.620 773 H LEU 103 H LEU 103 -12.374 13.919 8.230 774 HA LEU 103 HA LEU 103 -11.617 11.333 8.952 775 1HB LEU 103 1HB LEU 103 -13.410 11.646 7.409 776 2HB LEU 103 2HB LEU 103 -12.382 12.519 6.289 777 HG LEU 103 HG LEU 103 -11.135 10.447 5.822 778 1HD1 LEU 103 1HD1 LEU 103 -11.810 8.335 6.679 779 2HD1 LEU 103 2HD1 LEU 103 -13.216 9.039 7.480 780 3HD1 LEU 103 3HD1 LEU 103 -11.592 9.414 8.058 781 1HD2 LEU 103 1HD2 LEU 103 -13.331 11.197 4.657 782 2HD2 LEU 103 2HD2 LEU 103 -14.030 9.796 5.468 783 3HD2 LEU 103 3HD2 LEU 103 -12.687 9.584 4.344 784 H GLN 104 H GLN 104 -10.166 13.499 6.529 785 HA GLN 104 HA GLN 104 -8.079 11.798 5.774 786 1HB GLN 104 1HB GLN 104 -8.849 13.913 4.602 787 2HB GLN 104 2HB GLN 104 -7.907 14.806 5.790 788 1HG GLN 104 1HG GLN 104 -6.330 12.706 4.619 789 2HG GLN 104 2HG GLN 104 -7.023 13.736 3.369 790 1HE2 GLN 104 1HE2 GLN 104 -4.304 13.596 3.808 791 2HE2 GLN 104 2HE2 GLN 104 -3.749 15.108 4.434 792 H ASN 105 H ASN 105 -8.114 14.457 8.154 793 HA ASN 105 HA ASN 105 -5.471 14.289 8.965 794 1HB ASN 105 1HB ASN 105 -7.873 15.534 9.937 795 2HB ASN 105 2HB ASN 105 -6.961 14.871 11.290 796 1HD2 ASN 105 1HD2 ASN 105 -4.979 15.722 11.808 797 2HD2 ASN 105 2HD2 ASN 105 -4.378 17.189 11.122 798 H LYS 106 H LYS 106 -8.272 12.451 10.130 799 HA LYS 106 HA LYS 106 -6.748 11.037 12.092 800 1HB LYS 106 1HB LYS 106 -9.434 11.454 11.634 801 2HB LYS 106 2HB LYS 106 -9.230 9.760 11.213 802 1HG LYS 106 1HG LYS 106 -8.595 9.168 13.358 803 2HG LYS 106 2HG LYS 106 -8.122 10.814 13.780 804 1HD LYS 106 1HD LYS 106 -10.105 10.725 14.894 805 2HD LYS 106 2HD LYS 106 -10.705 11.256 13.321 806 1HE LYS 106 1HE LYS 106 -10.681 8.543 13.026 807 2HE LYS 106 2HE LYS 106 -11.089 8.714 14.733 808 1HZ LYS 106 1HZ LYS 106 -13.118 9.439 14.233 809 2HZ LYS 106 2HZ LYS 106 -12.834 8.888 12.660 810 3HZ LYS 106 3HZ LYS 106 -12.559 10.511 13.049 811 H ILE 107 H ILE 107 -7.869 10.317 8.798 812 HA ILE 107 HA ILE 107 -7.108 7.609 8.803 813 HB ILE 107 HB ILE 107 -8.561 8.838 7.072 814 1HG1 ILE 107 1HG1 ILE 107 -7.222 7.249 5.251 815 2HG1 ILE 107 2HG1 ILE 107 -6.745 6.560 6.798 816 1HG2 ILE 107 1HG2 ILE 107 -5.823 9.396 5.943 817 2HG2 ILE 107 2HG2 ILE 107 -7.070 10.561 6.375 818 3HG2 ILE 107 3HG2 ILE 107 -7.315 9.479 5.008 819 1HD1 ILE 107 1HD1 ILE 107 -8.715 5.583 7.048 820 2HD1 ILE 107 2HD1 ILE 107 -9.069 6.049 5.384 821 3HD1 ILE 107 3HD1 ILE 107 -9.580 7.085 6.718 822 H LEU 108 H LEU 108 -5.305 10.538 7.929 823 HA LEU 108 HA LEU 108 -3.015 9.133 7.002 824 1HB LEU 108 1HB LEU 108 -1.877 11.276 7.048 825 2HB LEU 108 2HB LEU 108 -3.463 11.433 6.322 826 HG LEU 108 HG LEU 108 -4.200 12.214 8.695 827 1HD1 LEU 108 1HD1 LEU 108 -2.589 12.245 10.230 828 2HD1 LEU 108 2HD1 LEU 108 -1.857 13.574 9.333 829 3HD1 LEU 108 3HD1 LEU 108 -1.350 11.916 9.023 830 1HD2 LEU 108 1HD2 LEU 108 -3.272 13.521 6.369 831 2HD2 LEU 108 2HD2 LEU 108 -2.651 14.419 7.753 832 3HD2 LEU 108 3HD2 LEU 108 -4.382 14.133 7.591 833 H THR 109 H THR 109 -3.920 10.537 10.120 834 HA THR 109 HA THR 109 -1.496 10.225 11.456 835 HB THR 109 HB THR 109 -4.324 10.032 12.505 836 HG1 THR 109 HG1 THR 109 -3.056 12.241 13.238 837 1HG2 THR 109 1HG2 THR 109 -1.891 10.640 14.160 838 2HG2 THR 109 2HG2 THR 109 -2.604 9.030 14.057 839 3HG2 THR 109 3HG2 THR 109 -3.548 10.373 14.702 840 H ILE 110 H ILE 110 -4.178 7.916 11.091 841 HA ILE 110 HA ILE 110 -2.888 5.872 12.617 842 HB ILE 110 HB ILE 110 -5.140 5.518 10.640 843 1HG1 ILE 110 1HG1 ILE 110 -5.295 6.123 13.602 844 2HG1 ILE 110 2HG1 ILE 110 -5.662 7.267 12.316 845 1HG2 ILE 110 1HG2 ILE 110 -5.443 3.777 12.788 846 2HG2 ILE 110 2HG2 ILE 110 -3.718 3.739 12.420 847 3HG2 ILE 110 3HG2 ILE 110 -4.897 3.369 11.161 848 1HD1 ILE 110 1HD1 ILE 110 -7.251 5.094 11.723 849 2HD1 ILE 110 2HD1 ILE 110 -7.765 6.588 12.505 850 3HD1 ILE 110 3HD1 ILE 110 -7.306 5.194 13.483 851 H LEU 111 H LEU 111 -3.198 6.553 9.149 852 HA LEU 111 HA LEU 111 -1.963 4.127 8.322 853 1HB LEU 111 1HB LEU 111 -2.492 6.739 6.925 854 2HB LEU 111 2HB LEU 111 -1.643 5.425 6.135 855 HG LEU 111 HG LEU 111 -4.483 5.360 7.160 856 1HD1 LEU 111 1HD1 LEU 111 -3.243 5.591 4.446 857 2HD1 LEU 111 2HD1 LEU 111 -4.536 6.549 5.167 858 3HD1 LEU 111 3HD1 LEU 111 -4.848 4.892 4.653 859 1HD2 LEU 111 1HD2 LEU 111 -4.588 3.134 6.825 860 2HD2 LEU 111 2HD2 LEU 111 -2.851 3.207 7.112 861 3HD2 LEU 111 3HD2 LEU 111 -3.470 3.178 5.463 862 H GLN 112 H GLN 112 -0.743 6.977 9.692 863 HA GLN 112 HA GLN 112 1.921 6.574 8.552 864 1HB GLN 112 1HB GLN 112 0.688 8.798 10.163 865 2HB GLN 112 2HB GLN 112 2.424 8.695 9.897 866 1HG GLN 112 1HG GLN 112 1.787 8.549 7.397 867 2HG GLN 112 2HG GLN 112 0.238 9.194 7.924 868 1HE2 GLN 112 1HE2 GLN 112 0.128 11.260 8.757 869 2HE2 GLN 112 2HE2 GLN 112 1.378 12.425 8.515 870 H GLY 113 H GLY 113 0.157 5.460 11.129 871 1HA GLY 113 1HA GLY 113 2.472 4.389 12.419 872 2HA GLY 113 2HA GLY 113 1.720 5.656 13.378 Start of MODEL 19 1 1H MET 1 1H MET 1 22.354 -0.330 12.881 2 2H MET 1 2H MET 1 23.250 -0.740 14.285 3 3H MET 1 3H MET 1 21.535 -0.805 14.309 4 HA MET 1 HA MET 1 22.784 -2.952 14.109 5 1HB MET 1 1HB MET 1 20.329 -2.005 13.176 6 2HB MET 1 2HB MET 1 20.982 -2.916 11.823 7 1HG MET 1 1HG MET 1 21.107 -4.900 13.093 8 2HG MET 1 2HG MET 1 20.835 -4.035 14.604 9 1HE MET 1 1HE MET 1 17.657 -5.780 14.931 10 2HE MET 1 2HE MET 1 18.089 -4.235 15.665 11 3HE MET 1 3HE MET 1 19.318 -5.480 15.441 12 H GLY 2 H GLY 2 24.791 -3.296 13.304 13 1HA GLY 2 1HA GLY 2 25.452 -2.473 10.595 14 2HA GLY 2 2HA GLY 2 26.546 -3.201 11.760 15 H SER 3 H SER 3 23.419 -4.331 10.496 16 HA SER 3 HA SER 3 22.795 -6.323 9.591 17 1HB SER 3 1HB SER 3 25.444 -6.535 8.214 18 2HB SER 3 2HB SER 3 23.827 -6.851 7.586 19 HG SER 3 HG SER 3 23.473 -4.665 7.428 20 H SER 4 H SER 4 23.454 -6.837 12.053 21 HA SER 4 HA SER 4 24.105 -8.464 13.504 22 1HB SER 4 1HB SER 4 23.657 -9.783 11.010 23 2HB SER 4 2HB SER 4 25.059 -10.525 11.781 24 HG SER 4 HG SER 4 22.612 -11.060 12.323 25 H HIS 5 H HIS 5 26.042 -9.955 14.059 26 HA HIS 5 HA HIS 5 28.470 -8.424 13.467 27 1HB HIS 5 1HB HIS 5 27.432 -9.806 15.814 28 2HB HIS 5 2HB HIS 5 29.098 -10.254 15.464 29 HD1 HIS 5 HD1 HIS 5 27.219 -6.921 15.433 30 HD2 HIS 5 HD2 HIS 5 30.717 -8.666 16.918 31 HE1 HIS 5 HE1 HIS 5 28.452 -5.084 16.672 32 HE2 HIS 5 HE2 HIS 5 30.590 -6.144 17.484 33 H HIS 6 H HIS 6 27.261 -10.486 11.684 34 HA HIS 6 HA HIS 6 29.665 -11.775 10.918 35 1HB HIS 6 1HB HIS 6 28.083 -13.159 12.848 36 2HB HIS 6 2HB HIS 6 27.971 -14.032 11.324 37 HD1 HIS 6 HD1 HIS 6 31.094 -12.854 10.770 38 HD2 HIS 6 HD2 HIS 6 29.632 -15.451 13.701 39 HE1 HIS 6 HE1 HIS 6 33.086 -14.202 11.574 40 HE2 HIS 6 HE2 HIS 6 32.189 -15.696 13.395 41 H HIS 7 H HIS 7 29.017 -10.687 9.002 42 HA HIS 7 HA HIS 7 26.659 -11.773 7.636 43 1HB HIS 7 1HB HIS 7 27.264 -9.223 7.878 44 2HB HIS 7 2HB HIS 7 28.329 -9.553 6.516 45 HD1 HIS 7 HD1 HIS 7 25.508 -11.690 6.078 46 HD2 HIS 7 HD2 HIS 7 26.248 -7.623 5.458 47 HE1 HIS 7 HE1 HIS 7 23.729 -10.888 4.458 48 HE2 HIS 7 HE2 HIS 7 24.254 -8.460 4.038 49 H HIS 8 H HIS 8 26.795 -12.579 5.507 50 HA HIS 8 HA HIS 8 29.479 -13.536 4.758 51 1HB HIS 8 1HB HIS 8 26.956 -14.913 5.071 52 2HB HIS 8 2HB HIS 8 27.567 -15.111 3.432 53 HD1 HIS 8 HD1 HIS 8 28.159 -17.572 3.712 54 HD2 HIS 8 HD2 HIS 8 30.036 -15.052 6.470 55 HE1 HIS 8 HE1 HIS 8 29.933 -18.977 4.857 56 HE2 HIS 8 HE2 HIS 8 31.107 -17.408 6.442 57 H HIS 9 H HIS 9 29.362 -14.249 2.276 58 HA HIS 9 HA HIS 9 29.391 -13.511 0.123 59 1HB HIS 9 1HB HIS 9 26.705 -12.863 1.147 60 2HB HIS 9 2HB HIS 9 27.182 -11.953 -0.282 61 HD1 HIS 9 HD1 HIS 9 25.286 -13.257 -1.570 62 HD2 HIS 9 HD2 HIS 9 28.460 -15.593 -0.177 63 HE1 HIS 9 HE1 HIS 9 25.116 -15.474 -2.788 64 HE2 HIS 9 HE2 HIS 9 26.976 -16.894 -1.850 65 H HIS 10 H HIS 10 28.667 -11.162 -1.117 66 HA HIS 10 HA HIS 10 30.712 -9.388 -0.175 67 1HB HIS 10 1HB HIS 10 29.541 -9.904 -2.628 68 2HB HIS 10 2HB HIS 10 28.935 -8.301 -2.225 69 HD1 HIS 10 HD1 HIS 10 32.370 -9.439 -1.195 70 HD2 HIS 10 HD2 HIS 10 30.560 -7.000 -4.066 71 HE1 HIS 10 HE1 HIS 10 34.247 -8.141 -2.301 72 HE2 HIS 10 HE2 HIS 10 33.118 -6.620 -3.963 73 H HIS 11 H HIS 11 27.327 -8.631 -1.012 74 HA HIS 11 HA HIS 11 26.865 -7.339 1.522 75 1HB HIS 11 1HB HIS 11 28.154 -5.734 -0.156 76 2HB HIS 11 2HB HIS 11 26.543 -5.511 -0.825 77 HD1 HIS 11 HD1 HIS 11 25.421 -5.845 2.324 78 HD2 HIS 11 HD2 HIS 11 27.964 -2.981 0.651 79 HE1 HIS 11 HE1 HIS 11 25.206 -3.779 3.776 80 HE2 HIS 11 HE2 HIS 11 26.669 -2.042 2.685 81 H HIS 12 H HIS 12 24.696 -5.703 0.651 82 HA HIS 12 HA HIS 12 22.888 -7.312 -0.896 83 1HB HIS 12 1HB HIS 12 22.827 -8.380 1.363 84 2HB HIS 12 2HB HIS 12 22.297 -6.842 2.036 85 HD1 HIS 12 HD1 HIS 12 21.145 -9.699 -0.119 86 HD2 HIS 12 HD2 HIS 12 19.610 -6.239 1.652 87 HE1 HIS 12 HE1 HIS 12 18.625 -9.849 -0.348 88 HE2 HIS 12 HE2 HIS 12 17.739 -7.701 0.628 89 H GLU 13 H GLU 13 20.892 -6.206 -1.333 90 HA GLU 13 HA GLU 13 20.560 -3.506 -0.356 91 1HB GLU 13 1HB GLU 13 22.066 -3.897 -2.679 92 2HB GLU 13 2HB GLU 13 20.477 -3.411 -3.254 93 1HG GLU 13 1HG GLU 13 20.947 -1.305 -2.794 94 2HG GLU 13 2HG GLU 13 21.164 -1.717 -1.094 95 H ASN 14 H ASN 14 18.595 -2.472 -1.412 96 HA ASN 14 HA ASN 14 16.671 -4.416 -2.429 97 1HB ASN 14 1HB ASN 14 16.504 -3.031 0.208 98 2HB ASN 14 2HB ASN 14 15.016 -3.252 -0.709 99 1HD2 ASN 14 1HD2 ASN 14 13.942 -4.943 -0.033 100 2HD2 ASN 14 2HD2 ASN 14 14.615 -6.454 0.464 101 H LEU 15 H LEU 15 15.468 -3.585 -4.000 102 HA LEU 15 HA LEU 15 15.185 -0.661 -4.153 103 1HB LEU 15 1HB LEU 15 16.492 -2.412 -5.992 104 2HB LEU 15 2HB LEU 15 15.064 -1.759 -6.771 105 HG LEU 15 HG LEU 15 16.264 0.447 -5.550 106 1HD1 LEU 15 1HD1 LEU 15 18.509 -0.232 -7.127 107 2HD1 LEU 15 2HD1 LEU 15 18.253 -1.548 -5.981 108 3HD1 LEU 15 3HD1 LEU 15 18.446 0.105 -5.398 109 1HD2 LEU 15 1HD2 LEU 15 15.136 0.594 -7.634 110 2HD2 LEU 15 2HD2 LEU 15 16.244 -0.551 -8.389 111 3HD2 LEU 15 3HD2 LEU 15 16.814 1.052 -7.924 112 H TYR 16 H TYR 16 13.172 -1.142 -3.022 113 HA TYR 16 HA TYR 16 11.080 -2.130 -4.843 114 1HB TYR 16 1HB TYR 16 9.752 -2.641 -2.809 115 2HB TYR 16 2HB TYR 16 11.248 -3.561 -2.899 116 HD1 TYR 16 HD1 TYR 16 13.275 -2.569 -1.584 117 HD2 TYR 16 HD2 TYR 16 9.220 -1.508 -0.855 118 HE1 TYR 16 HE1 TYR 16 13.889 -1.796 0.669 119 HE2 TYR 16 HE2 TYR 16 9.822 -0.730 1.398 120 HH TYR 16 HH TYR 16 11.663 -0.056 2.690 121 H PHE 17 H PHE 17 12.336 0.607 -3.377 122 HA PHE 17 HA PHE 17 9.924 2.031 -2.848 123 1HB PHE 17 1HB PHE 17 12.712 2.456 -2.500 124 2HB PHE 17 2HB PHE 17 12.088 3.815 -3.428 125 HD1 PHE 17 HD1 PHE 17 11.944 2.028 -0.238 126 HD2 PHE 17 HD2 PHE 17 10.532 5.372 -2.460 127 HE1 PHE 17 HE1 PHE 17 11.084 3.036 1.835 128 HE2 PHE 17 HE2 PHE 17 9.669 6.387 -0.392 129 HZ PHE 17 HZ PHE 17 9.945 5.220 1.759 130 H GLN 18 H GLN 18 9.022 3.758 -4.053 131 HA GLN 18 HA GLN 18 8.200 4.724 -5.939 132 1HB GLN 18 1HB GLN 18 11.079 4.755 -6.184 133 2HB GLN 18 2HB GLN 18 10.331 4.635 -7.769 134 1HG GLN 18 1HG GLN 18 8.819 6.575 -6.675 135 2HG GLN 18 2HG GLN 18 10.349 6.856 -5.846 136 1HE2 GLN 18 1HE2 GLN 18 8.706 8.124 -8.156 137 2HE2 GLN 18 2HE2 GLN 18 9.919 8.473 -9.336 138 H GLY 19 H GLY 19 6.890 2.755 -6.153 139 1HA GLY 19 1HA GLY 19 6.694 1.847 -8.752 140 2HA GLY 19 2HA GLY 19 7.692 0.663 -7.920 141 H SER 20 H SER 20 6.771 -0.341 -5.971 142 HA SER 20 HA SER 20 3.832 -0.355 -5.964 143 1HB SER 20 1HB SER 20 4.692 -2.300 -7.269 144 2HB SER 20 2HB SER 20 5.553 -2.842 -5.829 145 HG SER 20 HG SER 20 3.464 -3.830 -6.149 146 H LYS 21 H LYS 21 2.943 -0.278 -3.996 147 HA LYS 21 HA LYS 21 4.547 -1.050 -1.665 148 1HB LYS 21 1HB LYS 21 3.251 1.603 -2.159 149 2HB LYS 21 2HB LYS 21 3.461 1.017 -0.521 150 1HG LYS 21 1HG LYS 21 5.635 1.525 -2.540 151 2HG LYS 21 2HG LYS 21 5.265 2.496 -1.114 152 1HD LYS 21 1HD LYS 21 5.619 -0.209 -0.294 153 2HD LYS 21 2HD LYS 21 6.981 0.245 -1.320 154 1HE LYS 21 1HE LYS 21 7.686 0.874 0.799 155 2HE LYS 21 2HE LYS 21 7.063 2.380 0.127 156 1HZ LYS 21 1HZ LYS 21 5.053 2.121 1.356 157 2HZ LYS 21 2HZ LYS 21 6.338 1.919 2.437 158 3HZ LYS 21 3HZ LYS 21 5.487 0.570 1.874 159 H ARG 22 H ARG 22 1.402 0.559 -2.050 160 HA ARG 22 HA ARG 22 0.124 -1.829 -0.897 161 1HB ARG 22 1HB ARG 22 -0.611 1.036 -0.275 162 2HB ARG 22 2HB ARG 22 -1.377 -0.405 0.383 163 1HG ARG 22 1HG ARG 22 1.181 -0.861 1.077 164 2HG ARG 22 2HG ARG 22 1.145 0.903 1.123 165 1HD ARG 22 1HD ARG 22 -1.207 0.135 2.378 166 2HD ARG 22 2HD ARG 22 -0.014 -1.030 2.949 167 HE ARG 22 HE ARG 22 -0.277 1.538 3.902 168 1HH1 ARG 22 1HH1 ARG 22 2.314 -0.405 2.564 169 2HH1 ARG 22 2HH1 ARG 22 3.553 0.474 3.388 170 1HH2 ARG 22 1HH2 ARG 22 1.368 2.651 5.014 171 2HH2 ARG 22 2HH2 ARG 22 3.020 2.186 4.786 172 H LYS 23 H LYS 23 -2.102 -2.118 -1.421 173 HA LYS 23 HA LYS 23 -2.983 -0.670 -3.824 174 1HB LYS 23 1HB LYS 23 -2.666 -3.588 -3.357 175 2HB LYS 23 2HB LYS 23 -4.048 -3.066 -4.308 176 1HG LYS 23 1HG LYS 23 -1.969 -1.664 -5.428 177 2HG LYS 23 2HG LYS 23 -1.229 -3.213 -5.014 178 1HD LYS 23 1HD LYS 23 -3.889 -3.342 -6.289 179 2HD LYS 23 2HD LYS 23 -2.567 -2.767 -7.307 180 1HE LYS 23 1HE LYS 23 -1.890 -4.861 -7.600 181 2HE LYS 23 2HE LYS 23 -1.628 -5.019 -5.864 182 1HZ LYS 23 1HZ LYS 23 -3.889 -5.899 -7.491 183 2HZ LYS 23 2HZ LYS 23 -4.223 -5.380 -5.917 184 3HZ LYS 23 3HZ LYS 23 -3.145 -6.657 -6.174 185 H ILE 24 H ILE 24 -4.857 0.336 -3.388 186 HA ILE 24 HA ILE 24 -6.624 -0.846 -1.365 187 HB ILE 24 HB ILE 24 -6.607 1.988 -2.403 188 1HG1 ILE 24 1HG1 ILE 24 -5.938 1.964 0.313 189 2HG1 ILE 24 2HG1 ILE 24 -4.999 0.653 -0.391 190 1HG2 ILE 24 1HG2 ILE 24 -8.705 1.924 -1.592 191 2HG2 ILE 24 2HG2 ILE 24 -7.903 2.070 -0.028 192 3HG2 ILE 24 3HG2 ILE 24 -8.397 0.485 -0.619 193 1HD1 ILE 24 1HD1 ILE 24 -4.288 2.357 -2.156 194 2HD1 ILE 24 2HD1 ILE 24 -3.611 2.511 -0.535 195 3HD1 ILE 24 3HD1 ILE 24 -4.925 3.571 -1.045 196 H ILE 25 H ILE 25 -8.932 -0.924 -1.783 197 HA ILE 25 HA ILE 25 -9.572 -0.847 -4.648 198 HB ILE 25 HB ILE 25 -11.387 -2.530 -3.998 199 1HG1 ILE 25 1HG1 ILE 25 -9.558 -2.712 -1.614 200 2HG1 ILE 25 2HG1 ILE 25 -11.274 -2.374 -1.621 201 1HG2 ILE 25 1HG2 ILE 25 -9.748 -3.356 -5.401 202 2HG2 ILE 25 2HG2 ILE 25 -9.659 -4.442 -4.016 203 3HG2 ILE 25 3HG2 ILE 25 -8.473 -3.147 -4.200 204 1HD1 ILE 25 1HD1 ILE 25 -10.044 -4.829 -1.235 205 2HD1 ILE 25 2HD1 ILE 25 -10.744 -4.918 -2.851 206 3HD1 ILE 25 3HD1 ILE 25 -11.765 -4.525 -1.467 207 H VAL 26 H VAL 26 -11.552 0.020 -5.264 208 HA VAL 26 HA VAL 26 -13.068 1.381 -3.129 209 HB VAL 26 HB VAL 26 -12.483 2.456 -5.892 210 1HG1 VAL 26 1HG1 VAL 26 -13.434 4.579 -4.736 211 2HG1 VAL 26 2HG1 VAL 26 -14.206 3.420 -3.653 212 3HG1 VAL 26 3HG1 VAL 26 -14.538 3.366 -5.384 213 1HG2 VAL 26 1HG2 VAL 26 -11.417 3.284 -3.197 214 2HG2 VAL 26 2HG2 VAL 26 -11.176 4.177 -4.698 215 3HG2 VAL 26 3HG2 VAL 26 -10.503 2.557 -4.518 216 H ALA 27 H ALA 27 -15.137 0.717 -3.039 217 HA ALA 27 HA ALA 27 -16.437 -0.113 -5.545 218 1HB ALA 27 1HB ALA 27 -17.648 -1.849 -4.317 219 2HB ALA 27 2HB ALA 27 -16.761 -1.425 -2.852 220 3HB ALA 27 3HB ALA 27 -15.904 -2.095 -4.239 221 H CYS 28 H CYS 28 -18.175 1.039 -6.018 222 HA CYS 28 HA CYS 28 -19.593 2.382 -3.810 223 1HB CYS 28 1HB CYS 28 -18.386 3.502 -6.087 224 2HB CYS 28 2HB CYS 28 -20.120 3.607 -6.369 225 HG CYS 28 HG CYS 28 -18.817 5.613 -4.887 226 H GLY 29 H GLY 29 -20.570 1.991 -7.210 227 1HA GLY 29 1HA GLY 29 -22.175 0.040 -7.584 228 2HA GLY 29 2HA GLY 29 -23.038 0.717 -6.213 229 H GLY 30 H GLY 30 -21.505 2.453 -8.914 230 1HA GLY 30 1HA GLY 30 -22.605 3.417 -10.768 231 2HA GLY 30 2HA GLY 30 -24.147 3.087 -9.996 232 H ALA 31 H ALA 31 -21.336 4.757 -8.638 233 HA ALA 31 HA ALA 31 -22.989 7.192 -8.451 234 1HB ALA 31 1HB ALA 31 -22.639 6.086 -6.271 235 2HB ALA 31 2HB ALA 31 -21.933 7.701 -6.339 236 3HB ALA 31 3HB ALA 31 -20.899 6.278 -6.478 237 H VAL 32 H VAL 32 -21.994 7.657 -10.578 238 HA VAL 32 HA VAL 32 -19.247 8.024 -10.959 239 HB VAL 32 HB VAL 32 -21.479 9.565 -12.288 240 1HG1 VAL 32 1HG1 VAL 32 -19.141 10.455 -12.550 241 2HG1 VAL 32 2HG1 VAL 32 -19.951 10.015 -14.054 242 3HG1 VAL 32 3HG1 VAL 32 -18.735 8.942 -13.361 243 1HG2 VAL 32 1HG2 VAL 32 -21.965 7.781 -13.550 244 2HG2 VAL 32 2HG2 VAL 32 -21.145 6.845 -12.302 245 3HG2 VAL 32 3HG2 VAL 32 -20.269 7.344 -13.748 246 H ALA 33 H ALA 33 -21.694 10.137 -9.597 247 HA ALA 33 HA ALA 33 -19.980 12.444 -9.496 248 1HB ALA 33 1HB ALA 33 -22.609 11.905 -8.121 249 2HB ALA 33 2HB ALA 33 -22.381 12.735 -9.660 250 3HB ALA 33 3HB ALA 33 -21.781 13.461 -8.170 251 H THR 34 H THR 34 -18.712 10.233 -8.322 252 HA THR 34 HA THR 34 -17.928 11.337 -5.823 253 HB THR 34 HB THR 34 -18.541 8.815 -4.882 254 HG1 THR 34 HG1 THR 34 -20.870 9.775 -6.159 255 1HG2 THR 34 1HG2 THR 34 -18.923 11.277 -3.971 256 2HG2 THR 34 2HG2 THR 34 -19.731 9.868 -3.286 257 3HG2 THR 34 3HG2 THR 34 -20.582 10.898 -4.435 258 H SER 35 H SER 35 -17.878 8.603 -8.058 259 HA SER 35 HA SER 35 -15.659 7.236 -7.115 260 1HB SER 35 1HB SER 35 -15.509 7.144 -9.934 261 2HB SER 35 2HB SER 35 -16.266 5.967 -8.862 262 HG SER 35 HG SER 35 -17.441 8.132 -10.234 263 H THR 36 H THR 36 -15.786 9.922 -9.445 264 HA THR 36 HA THR 36 -12.990 10.068 -9.845 265 HB THR 36 HB THR 36 -15.104 12.203 -10.205 266 HG1 THR 36 HG1 THR 36 -14.977 10.021 -11.463 267 1HG2 THR 36 1HG2 THR 36 -13.651 13.511 -11.349 268 2HG2 THR 36 2HG2 THR 36 -12.633 12.156 -11.832 269 3HG2 THR 36 3HG2 THR 36 -12.528 12.796 -10.192 270 H MET 37 H MET 37 -15.182 12.059 -7.854 271 HA MET 37 HA MET 37 -13.388 13.798 -6.730 272 1HB MET 37 1HB MET 37 -15.940 12.589 -5.821 273 2HB MET 37 2HB MET 37 -14.958 13.371 -4.589 274 1HG MET 37 1HG MET 37 -15.472 15.409 -5.312 275 2HG MET 37 2HG MET 37 -15.230 14.968 -7.002 276 1HE MET 37 1HE MET 37 -17.840 15.868 -4.300 277 2HE MET 37 2HE MET 37 -19.017 16.322 -5.533 278 3HE MET 37 3HE MET 37 -17.368 16.943 -5.616 279 H ALA 38 H ALA 38 -14.286 10.613 -5.410 280 HA ALA 38 HA ALA 38 -12.380 10.662 -3.324 281 1HB ALA 38 1HB ALA 38 -14.420 8.913 -4.219 282 2HB ALA 38 2HB ALA 38 -13.537 8.874 -2.694 283 3HB ALA 38 3HB ALA 38 -12.936 7.970 -4.083 284 H ALA 39 H ALA 39 -12.366 9.054 -6.504 285 HA ALA 39 HA ALA 39 -9.911 7.820 -6.403 286 1HB ALA 39 1HB ALA 39 -11.086 9.184 -8.821 287 2HB ALA 39 2HB ALA 39 -11.533 7.579 -8.240 288 3HB ALA 39 3HB ALA 39 -9.895 7.884 -8.819 289 H GLU 40 H GLU 40 -10.540 11.118 -7.629 290 HA GLU 40 HA GLU 40 -7.824 11.751 -8.061 291 1HB GLU 40 1HB GLU 40 -10.366 13.068 -8.302 292 2HB GLU 40 2HB GLU 40 -9.223 14.148 -7.515 293 1HG GLU 40 1HG GLU 40 -8.126 12.771 -9.843 294 2HG GLU 40 2HG GLU 40 -9.501 13.812 -10.208 295 H GLU 41 H GLU 41 -9.935 12.091 -5.274 296 HA GLU 41 HA GLU 41 -8.292 13.774 -3.737 297 1HB GLU 41 1HB GLU 41 -10.659 12.135 -3.302 298 2HB GLU 41 2HB GLU 41 -9.604 12.166 -1.897 299 1HG GLU 41 1HG GLU 41 -9.735 14.811 -2.743 300 2HG GLU 41 2HG GLU 41 -11.377 14.196 -2.918 301 H ILE 42 H ILE 42 -8.606 10.225 -3.679 302 HA ILE 42 HA ILE 42 -6.572 9.806 -1.784 303 HB ILE 42 HB ILE 42 -7.228 7.828 -3.953 304 1HG1 ILE 42 1HG1 ILE 42 -9.345 8.711 -2.988 305 2HG1 ILE 42 2HG1 ILE 42 -9.087 7.014 -2.622 306 1HG2 ILE 42 1HG2 ILE 42 -5.353 7.437 -2.313 307 2HG2 ILE 42 2HG2 ILE 42 -6.593 6.184 -2.375 308 3HG2 ILE 42 3HG2 ILE 42 -6.587 7.353 -1.056 309 1HD1 ILE 42 1HD1 ILE 42 -9.391 9.275 -0.849 310 2HD1 ILE 42 2HD1 ILE 42 -7.953 8.323 -0.479 311 3HD1 ILE 42 3HD1 ILE 42 -9.536 7.548 -0.521 312 H LYS 43 H LYS 43 -6.495 10.229 -5.264 313 HA LYS 43 HA LYS 43 -3.819 9.350 -5.644 314 1HB LYS 43 1HB LYS 43 -5.267 9.382 -7.543 315 2HB LYS 43 2HB LYS 43 -5.644 11.083 -7.310 316 1HG LYS 43 1HG LYS 43 -3.965 11.675 -8.626 317 2HG LYS 43 2HG LYS 43 -2.818 10.788 -7.622 318 1HD LYS 43 1HD LYS 43 -2.941 8.887 -8.932 319 2HD LYS 43 2HD LYS 43 -4.533 9.304 -9.569 320 1HE LYS 43 1HE LYS 43 -3.650 10.886 -11.054 321 2HE LYS 43 2HE LYS 43 -2.111 10.960 -10.197 322 1HZ LYS 43 1HZ LYS 43 -1.790 9.722 -12.184 323 2HZ LYS 43 2HZ LYS 43 -3.125 8.731 -11.872 324 3HZ LYS 43 3HZ LYS 43 -1.745 8.617 -10.902 325 H GLU 44 H GLU 44 -5.191 12.658 -5.625 326 HA GLU 44 HA GLU 44 -2.802 14.040 -5.777 327 1HB GLU 44 1HB GLU 44 -3.970 15.968 -5.026 328 2HB GLU 44 2HB GLU 44 -5.128 15.004 -5.930 329 1HG GLU 44 1HG GLU 44 -5.984 14.123 -3.773 330 2HG GLU 44 2HG GLU 44 -4.910 15.245 -2.940 331 H LEU 45 H LEU 45 -4.401 12.702 -2.938 332 HA LEU 45 HA LEU 45 -2.678 13.863 -1.017 333 1HB LEU 45 1HB LEU 45 -4.981 12.328 -0.972 334 2HB LEU 45 2HB LEU 45 -3.775 11.259 -0.283 335 HG LEU 45 HG LEU 45 -3.285 12.834 1.472 336 1HD1 LEU 45 1HD1 LEU 45 -3.423 14.941 0.453 337 2HD1 LEU 45 2HD1 LEU 45 -4.739 14.920 1.626 338 3HD1 LEU 45 3HD1 LEU 45 -5.079 14.669 -0.086 339 1HD2 LEU 45 1HD2 LEU 45 -5.663 13.079 2.434 340 2HD2 LEU 45 2HD2 LEU 45 -5.052 11.458 2.104 341 3HD2 LEU 45 3HD2 LEU 45 -6.177 12.222 0.981 342 H CYS 46 H CYS 46 -2.767 10.577 -2.392 343 HA CYS 46 HA CYS 46 -0.610 9.469 -1.122 344 1HB CYS 46 1HB CYS 46 -1.615 9.088 -3.935 345 2HB CYS 46 2HB CYS 46 -0.315 8.112 -3.258 346 HG CYS 46 HG CYS 46 -2.467 6.798 -2.840 347 H GLN 47 H GLN 47 -0.580 11.663 -3.877 348 HA GLN 47 HA GLN 47 2.224 11.424 -4.368 349 1HB GLN 47 1HB GLN 47 -0.020 13.000 -5.417 350 2HB GLN 47 2HB GLN 47 1.510 13.865 -5.414 351 1HG GLN 47 1HG GLN 47 2.345 11.574 -6.481 352 2HG GLN 47 2HG GLN 47 0.657 11.515 -6.991 353 1HE2 GLN 47 1HE2 GLN 47 0.038 14.052 -7.540 354 2HE2 GLN 47 2HE2 GLN 47 1.027 14.675 -8.811 355 H SER 48 H SER 48 0.201 13.462 -2.387 356 HA SER 48 HA SER 48 2.064 15.480 -1.779 357 1HB SER 48 1HB SER 48 -0.580 14.936 -1.119 358 2HB SER 48 2HB SER 48 0.262 14.860 0.429 359 HG SER 48 HG SER 48 -0.546 17.004 -0.610 360 H HIS 49 H HIS 49 1.306 12.427 -0.143 361 HA HIS 49 HA HIS 49 3.421 12.855 1.801 362 1HB HIS 49 1HB HIS 49 1.055 11.202 1.610 363 2HB HIS 49 2HB HIS 49 2.456 10.240 2.068 364 HD1 HIS 49 HD1 HIS 49 1.048 13.633 3.135 365 HD2 HIS 49 HD2 HIS 49 2.674 10.133 4.739 366 HE1 HIS 49 HE1 HIS 49 1.043 13.942 5.653 367 HE2 HIS 49 HE2 HIS 49 2.155 11.876 6.574 368 H ASN 50 H ASN 50 3.250 11.654 -1.317 369 HA ASN 50 HA ASN 50 4.697 10.504 -2.635 370 1HB ASN 50 1HB ASN 50 6.657 10.595 -0.339 371 2HB ASN 50 2HB ASN 50 7.015 10.461 -2.058 372 1HD2 ASN 50 1HD2 ASN 50 8.263 12.359 -0.604 373 2HD2 ASN 50 2HD2 ASN 50 7.666 13.927 -1.019 374 H ILE 51 H ILE 51 2.840 8.941 -1.478 375 HA ILE 51 HA ILE 51 4.325 6.538 -0.621 376 HB ILE 51 HB ILE 51 1.382 6.880 -0.158 377 1HG1 ILE 51 1HG1 ILE 51 3.480 7.647 1.873 378 2HG1 ILE 51 2HG1 ILE 51 2.687 8.827 0.834 379 1HG2 ILE 51 1HG2 ILE 51 1.563 4.899 0.820 380 2HG2 ILE 51 2HG2 ILE 51 2.852 5.483 1.873 381 3HG2 ILE 51 3HG2 ILE 51 3.240 4.831 0.282 382 1HD1 ILE 51 1HD1 ILE 51 1.354 7.028 2.845 383 2HD1 ILE 51 2HD1 ILE 51 0.513 8.135 1.760 384 3HD1 ILE 51 3HD1 ILE 51 1.610 8.769 2.987 385 HA PRO 52 HA PRO 52 2.971 5.499 -4.896 386 1HB PRO 52 1HB PRO 52 4.666 3.165 -4.146 387 2HB PRO 52 2HB PRO 52 4.651 4.111 -5.638 388 1HG PRO 52 1HG PRO 52 6.594 4.427 -3.842 389 2HG PRO 52 2HG PRO 52 5.933 5.814 -4.727 390 1HD PRO 52 1HD PRO 52 5.476 4.972 -1.904 391 2HD PRO 52 2HD PRO 52 5.567 6.604 -2.597 392 H VAL 53 H VAL 53 1.066 4.520 -5.232 393 HA VAL 53 HA VAL 53 0.488 1.932 -4.096 394 HB VAL 53 HB VAL 53 -1.642 2.559 -3.053 395 1HG1 VAL 53 1HG1 VAL 53 -0.748 3.729 -1.049 396 2HG1 VAL 53 2HG1 VAL 53 0.761 3.987 -1.925 397 3HG1 VAL 53 3HG1 VAL 53 0.218 2.347 -1.562 398 1HG2 VAL 53 1HG2 VAL 53 -2.292 4.823 -2.676 399 2HG2 VAL 53 2HG2 VAL 53 -1.972 4.630 -4.400 400 3HG2 VAL 53 3HG2 VAL 53 -0.786 5.427 -3.366 401 H GLU 54 H GLU 54 -1.724 1.155 -4.851 402 HA GLU 54 HA GLU 54 -2.373 2.376 -7.457 403 1HB GLU 54 1HB GLU 54 -2.628 -0.571 -6.904 404 2HB GLU 54 2HB GLU 54 -2.637 0.251 -8.457 405 1HG GLU 54 1HG GLU 54 -0.172 0.899 -7.426 406 2HG GLU 54 2HG GLU 54 -0.411 -0.763 -6.890 407 H LEU 55 H LEU 55 -4.346 3.244 -7.369 408 HA LEU 55 HA LEU 55 -6.322 2.144 -5.535 409 1HB LEU 55 1HB LEU 55 -5.753 4.632 -5.785 410 2HB LEU 55 2HB LEU 55 -6.633 4.563 -7.300 411 HG LEU 55 HG LEU 55 -8.648 3.811 -6.024 412 1HD1 LEU 55 1HD1 LEU 55 -7.259 2.994 -4.058 413 2HD1 LEU 55 2HD1 LEU 55 -8.726 3.895 -3.676 414 3HD1 LEU 55 3HD1 LEU 55 -7.155 4.686 -3.569 415 1HD2 LEU 55 1HD2 LEU 55 -9.123 6.042 -5.076 416 2HD2 LEU 55 2HD2 LEU 55 -8.416 6.121 -6.690 417 3HD2 LEU 55 3HD2 LEU 55 -7.420 6.460 -5.275 418 H ILE 56 H ILE 56 -7.618 0.598 -6.260 419 HA ILE 56 HA ILE 56 -8.339 0.546 -9.109 420 HB ILE 56 HB ILE 56 -7.289 -1.498 -8.395 421 1HG1 ILE 56 1HG1 ILE 56 -9.193 -3.147 -8.724 422 2HG1 ILE 56 2HG1 ILE 56 -10.270 -1.756 -8.773 423 1HG2 ILE 56 1HG2 ILE 56 -9.338 -1.525 -6.206 424 2HG2 ILE 56 2HG2 ILE 56 -7.583 -1.430 -6.050 425 3HG2 ILE 56 3HG2 ILE 56 -8.338 -2.911 -6.634 426 1HD1 ILE 56 1HD1 ILE 56 -9.122 -0.895 -10.704 427 2HD1 ILE 56 2HD1 ILE 56 -9.624 -2.559 -10.999 428 3HD1 ILE 56 3HD1 ILE 56 -7.940 -2.200 -10.618 429 H GLN 57 H GLN 57 -10.560 0.241 -9.721 430 HA GLN 57 HA GLN 57 -12.478 0.916 -7.593 431 1HB GLN 57 1HB GLN 57 -12.201 1.949 -10.394 432 2HB GLN 57 2HB GLN 57 -13.794 1.878 -9.654 433 1HG GLN 57 1HG GLN 57 -13.363 3.867 -8.782 434 2HG GLN 57 2HG GLN 57 -12.210 3.063 -7.721 435 1HE2 GLN 57 1HE2 GLN 57 -12.372 5.743 -9.188 436 2HE2 GLN 57 2HE2 GLN 57 -10.809 5.901 -9.908 437 H CYS 58 H CYS 58 -14.273 -0.364 -7.448 438 HA CYS 58 HA CYS 58 -14.856 -2.250 -9.601 439 1HB CYS 58 1HB CYS 58 -13.933 -2.926 -6.829 440 2HB CYS 58 2HB CYS 58 -15.015 -4.021 -7.673 441 HG CYS 58 HG CYS 58 -13.160 -4.757 -9.138 442 H ARG 59 H ARG 59 -16.952 -3.511 -9.063 443 HA ARG 59 HA ARG 59 -18.903 -1.590 -8.155 444 1HB ARG 59 1HB ARG 59 -18.992 -4.259 -9.509 445 2HB ARG 59 2HB ARG 59 -20.441 -3.666 -8.713 446 1HG ARG 59 1HG ARG 59 -20.893 -2.650 -10.636 447 2HG ARG 59 2HG ARG 59 -19.643 -1.493 -10.176 448 1HD ARG 59 1HD ARG 59 -17.972 -2.900 -11.343 449 2HD ARG 59 2HD ARG 59 -19.276 -3.959 -11.872 450 HE ARG 59 HE ARG 59 -18.868 -1.174 -12.726 451 1HH1 ARG 59 1HH1 ARG 59 -20.394 -4.289 -13.188 452 2HH1 ARG 59 2HH1 ARG 59 -21.000 -3.888 -14.757 453 1HH2 ARG 59 1HH2 ARG 59 -19.677 -0.663 -14.789 454 2HH2 ARG 59 2HH2 ARG 59 -20.598 -1.841 -15.663 455 H VAL 60 H VAL 60 -20.847 -3.388 -7.077 456 HA VAL 60 HA VAL 60 -20.037 -3.419 -4.361 457 HB VAL 60 HB VAL 60 -22.201 -4.666 -3.998 458 1HG1 VAL 60 1HG1 VAL 60 -21.743 -2.021 -4.473 459 2HG1 VAL 60 2HG1 VAL 60 -23.272 -2.697 -3.911 460 3HG1 VAL 60 3HG1 VAL 60 -23.026 -2.378 -5.628 461 1HG2 VAL 60 1HG2 VAL 60 -21.942 -5.366 -6.622 462 2HG2 VAL 60 2HG2 VAL 60 -23.133 -4.068 -6.708 463 3HG2 VAL 60 3HG2 VAL 60 -23.434 -5.476 -5.689 464 H ASN 61 H ASN 61 -19.814 -5.736 -6.911 465 HA ASN 61 HA ASN 61 -18.689 -7.664 -5.016 466 1HB ASN 61 1HB ASN 61 -20.868 -8.197 -7.023 467 2HB ASN 61 2HB ASN 61 -19.793 -9.485 -6.484 468 1HD2 ASN 61 1HD2 ASN 61 -19.871 -10.162 -4.331 469 2HD2 ASN 61 2HD2 ASN 61 -21.223 -9.810 -3.315 470 H GLU 62 H GLU 62 -16.815 -6.493 -6.008 471 HA GLU 62 HA GLU 62 -15.834 -8.064 -8.259 472 1HB GLU 62 1HB GLU 62 -16.147 -5.086 -8.226 473 2HB GLU 62 2HB GLU 62 -14.845 -5.815 -9.152 474 1HG GLU 62 1HG GLU 62 -17.712 -6.625 -9.496 475 2HG GLU 62 2HG GLU 62 -16.998 -5.276 -10.379 476 H ILE 63 H ILE 63 -15.174 -5.708 -5.715 477 HA ILE 63 HA ILE 63 -12.399 -5.718 -5.716 478 HB ILE 63 HB ILE 63 -12.643 -5.288 -3.208 479 1HG1 ILE 63 1HG1 ILE 63 -15.386 -4.555 -3.268 480 2HG1 ILE 63 2HG1 ILE 63 -15.283 -6.233 -3.791 481 1HG2 ILE 63 1HG2 ILE 63 -12.988 -3.090 -3.632 482 2HG2 ILE 63 2HG2 ILE 63 -14.394 -3.390 -4.653 483 3HG2 ILE 63 3HG2 ILE 63 -12.769 -3.651 -5.290 484 1HD1 ILE 63 1HD1 ILE 63 -15.496 -5.541 -1.248 485 2HD1 ILE 63 2HD1 ILE 63 -13.739 -5.464 -1.390 486 3HD1 ILE 63 3HD1 ILE 63 -14.590 -6.961 -1.766 487 H GLU 64 H GLU 64 -14.662 -7.999 -4.315 488 HA GLU 64 HA GLU 64 -12.831 -9.482 -2.770 489 1HB GLU 64 1HB GLU 64 -15.380 -10.496 -4.041 490 2HB GLU 64 2HB GLU 64 -14.552 -11.181 -2.651 491 1HG GLU 64 1HG GLU 64 -16.253 -10.031 -1.645 492 2HG GLU 64 2HG GLU 64 -14.957 -8.838 -1.597 493 H THR 65 H THR 65 -13.933 -9.775 -6.095 494 HA THR 65 HA THR 65 -12.531 -12.208 -6.628 495 HB THR 65 HB THR 65 -13.262 -11.956 -8.869 496 HG1 THR 65 HG1 THR 65 -14.248 -9.754 -9.373 497 1HG2 THR 65 1HG2 THR 65 -15.316 -10.650 -7.098 498 2HG2 THR 65 2HG2 THR 65 -15.145 -12.373 -7.431 499 3HG2 THR 65 3HG2 THR 65 -15.623 -11.268 -8.721 500 H TYR 66 H TYR 66 -11.897 -8.778 -7.203 501 HA TYR 66 HA TYR 66 -9.334 -9.360 -8.441 502 1HB TYR 66 1HB TYR 66 -10.825 -6.800 -7.882 503 2HB TYR 66 2HB TYR 66 -9.188 -6.819 -8.529 504 HD1 TYR 66 HD1 TYR 66 -12.687 -7.114 -9.284 505 HD2 TYR 66 HD2 TYR 66 -8.784 -7.958 -10.752 506 HE1 TYR 66 HE1 TYR 66 -13.599 -7.355 -11.554 507 HE2 TYR 66 HE2 TYR 66 -9.685 -8.200 -13.027 508 HH TYR 66 HH TYR 66 -12.640 -7.113 -13.959 509 H MET 67 H MET 67 -10.152 -9.674 -5.431 510 HA MET 67 HA MET 67 -8.345 -7.932 -4.050 511 1HB MET 67 1HB MET 67 -10.452 -9.687 -3.359 512 2HB MET 67 2HB MET 67 -9.026 -10.255 -2.503 513 1HG MET 67 1HG MET 67 -9.786 -7.366 -2.455 514 2HG MET 67 2HG MET 67 -10.562 -8.526 -1.379 515 1HE MET 67 1HE MET 67 -9.348 -9.849 0.515 516 2HE MET 67 2HE MET 67 -9.839 -8.221 0.981 517 3HE MET 67 3HE MET 67 -8.265 -8.842 1.477 518 H ASP 68 H ASP 68 -6.842 -9.083 -6.012 519 HA ASP 68 HA ASP 68 -5.511 -11.455 -5.193 520 1HB ASP 68 1HB ASP 68 -5.679 -10.471 -7.558 521 2HB ASP 68 2HB ASP 68 -4.370 -9.396 -7.073 522 H GLY 69 H GLY 69 -4.858 -8.014 -4.811 523 1HA GLY 69 1HA GLY 69 -3.073 -8.593 -2.612 524 2HA GLY 69 2HA GLY 69 -2.276 -7.895 -4.015 525 H VAL 70 H VAL 70 -5.099 -7.348 -1.931 526 HA VAL 70 HA VAL 70 -4.730 -4.458 -2.280 527 HB VAL 70 HB VAL 70 -7.116 -5.869 -1.089 528 1HG1 VAL 70 1HG1 VAL 70 -6.955 -3.548 -0.464 529 2HG1 VAL 70 2HG1 VAL 70 -8.266 -3.771 -1.617 530 3HG1 VAL 70 3HG1 VAL 70 -6.738 -3.077 -2.150 531 1HG2 VAL 70 1HG2 VAL 70 -6.520 -6.411 -3.555 532 2HG2 VAL 70 2HG2 VAL 70 -7.083 -4.770 -3.871 533 3HG2 VAL 70 3HG2 VAL 70 -8.173 -5.952 -3.146 534 H HIS 71 H HIS 71 -4.021 -3.250 -0.622 535 HA HIS 71 HA HIS 71 -3.613 -4.546 1.964 536 1HB HIS 71 1HB HIS 71 -2.256 -2.456 0.447 537 2HB HIS 71 2HB HIS 71 -2.505 -2.012 2.131 538 HD1 HIS 71 HD1 HIS 71 0.041 -3.294 0.185 539 HD2 HIS 71 HD2 HIS 71 -1.726 -4.610 3.737 540 HE1 HIS 71 HE1 HIS 71 1.738 -4.818 1.293 541 HE2 HIS 71 HE2 HIS 71 0.602 -5.678 3.373 542 H LEU 72 H LEU 72 -5.759 -2.377 0.456 543 HA LEU 72 HA LEU 72 -7.121 -1.904 2.964 544 1HB LEU 72 1HB LEU 72 -5.685 0.239 1.473 545 2HB LEU 72 2HB LEU 72 -7.236 0.635 2.188 546 HG LEU 72 HG LEU 72 -4.874 -0.465 3.713 547 1HD1 LEU 72 1HD1 LEU 72 -5.677 2.273 2.981 548 2HD1 LEU 72 2HD1 LEU 72 -4.088 1.619 3.375 549 3HD1 LEU 72 3HD1 LEU 72 -5.220 2.023 4.666 550 1HD2 LEU 72 1HD2 LEU 72 -6.244 -0.727 5.441 551 2HD2 LEU 72 2HD2 LEU 72 -7.601 -0.396 4.364 552 3HD2 LEU 72 3HD2 LEU 72 -6.852 0.919 5.270 553 H ILE 73 H ILE 73 -9.322 -1.211 2.668 554 HA ILE 73 HA ILE 73 -10.245 -1.020 -0.103 555 HB ILE 73 HB ILE 73 -10.793 -3.208 0.025 556 1HG1 ILE 73 1HG1 ILE 73 -13.101 -3.633 0.932 557 2HG1 ILE 73 2HG1 ILE 73 -13.088 -1.997 1.568 558 1HG2 ILE 73 1HG2 ILE 73 -9.997 -4.235 1.788 559 2HG2 ILE 73 2HG2 ILE 73 -11.596 -4.022 2.498 560 3HG2 ILE 73 3HG2 ILE 73 -10.329 -2.858 2.833 561 1HD1 ILE 73 1HD1 ILE 73 -12.578 -1.365 -0.917 562 2HD1 ILE 73 2HD1 ILE 73 -14.223 -1.710 -0.392 563 3HD1 ILE 73 3HD1 ILE 73 -13.290 -2.943 -1.240 564 H CYS 74 H CYS 74 -12.040 0.247 -0.409 565 HA CYS 74 HA CYS 74 -13.244 1.421 2.001 566 1HB CYS 74 1HB CYS 74 -12.435 2.871 -0.527 567 2HB CYS 74 2HB CYS 74 -13.373 3.585 0.781 568 HG CYS 74 HG CYS 74 -10.822 4.185 1.031 569 H THR 75 H THR 75 -15.251 0.624 2.038 570 HA THR 75 HA THR 75 -16.787 0.691 -0.476 571 HB THR 75 HB THR 75 -16.421 -1.603 0.252 572 HG1 THR 75 HG1 THR 75 -18.762 -0.564 -0.229 573 1HG2 THR 75 1HG2 THR 75 -17.511 -2.413 2.332 574 2HG2 THR 75 2HG2 THR 75 -17.675 -0.731 2.833 575 3HG2 THR 75 3HG2 THR 75 -16.072 -1.425 2.586 576 H THR 76 H THR 76 -18.857 1.487 -0.438 577 HA THR 76 HA THR 76 -19.419 3.387 1.631 578 HB THR 76 HB THR 76 -21.635 3.003 -0.166 579 HG1 THR 76 HG1 THR 76 -19.860 3.784 -1.913 580 1HG2 THR 76 1HG2 THR 76 -19.656 5.175 0.370 581 2HG2 THR 76 2HG2 THR 76 -21.397 5.147 0.657 582 3HG2 THR 76 3HG2 THR 76 -20.775 5.290 -0.988 583 H ALA 77 H ALA 77 -19.520 1.701 3.319 584 HA ALA 77 HA ALA 77 -20.655 0.390 4.791 585 1HB ALA 77 1HB ALA 77 -22.026 2.612 4.577 586 2HB ALA 77 2HB ALA 77 -22.658 1.251 5.504 587 3HB ALA 77 3HB ALA 77 -23.237 1.546 3.864 588 H ARG 78 H ARG 78 -23.382 -0.552 4.558 589 HA ARG 78 HA ARG 78 -24.623 -2.225 3.678 590 1HB ARG 78 1HB ARG 78 -22.824 -1.794 1.306 591 2HB ARG 78 2HB ARG 78 -24.003 -3.092 1.341 592 1HG ARG 78 1HG ARG 78 -25.595 -1.052 2.015 593 2HG ARG 78 2HG ARG 78 -24.394 -0.182 1.057 594 1HD ARG 78 1HD ARG 78 -24.756 -1.670 -0.815 595 2HD ARG 78 2HD ARG 78 -25.869 -2.647 0.139 596 HE ARG 78 HE ARG 78 -26.706 0.074 -0.016 597 1HH1 ARG 78 1HH1 ARG 78 -26.644 -2.938 -1.783 598 2HH1 ARG 78 2HH1 ARG 78 -28.042 -2.555 -2.731 599 1HH2 ARG 78 1HH2 ARG 78 -28.549 0.574 -1.263 600 2HH2 ARG 78 2HH2 ARG 78 -29.122 -0.564 -2.437 601 H VAL 79 H VAL 79 -21.180 -2.766 2.919 602 HA VAL 79 HA VAL 79 -21.223 -5.547 3.160 603 HB VAL 79 HB VAL 79 -19.363 -3.983 2.269 604 1HG1 VAL 79 1HG1 VAL 79 -17.551 -3.534 3.838 605 2HG1 VAL 79 2HG1 VAL 79 -18.528 -4.169 5.161 606 3HG1 VAL 79 3HG1 VAL 79 -19.031 -2.703 4.316 607 1HG2 VAL 79 1HG2 VAL 79 -18.060 -5.803 2.099 608 2HG2 VAL 79 2HG2 VAL 79 -19.416 -6.620 2.875 609 3HG2 VAL 79 3HG2 VAL 79 -18.041 -6.082 3.840 610 H ASP 80 H ASP 80 -19.917 -6.744 4.914 611 HA ASP 80 HA ASP 80 -20.969 -5.891 7.518 612 1HB ASP 80 1HB ASP 80 -21.017 -8.354 6.213 613 2HB ASP 80 2HB ASP 80 -19.787 -8.549 7.458 614 H ARG 81 H ARG 81 -18.035 -6.379 5.776 615 HA ARG 81 HA ARG 81 -15.828 -6.181 6.319 616 1HB ARG 81 1HB ARG 81 -16.632 -3.917 6.912 617 2HB ARG 81 2HB ARG 81 -16.915 -4.468 8.555 618 1HG ARG 81 1HG ARG 81 -14.235 -5.110 7.848 619 2HG ARG 81 2HG ARG 81 -14.538 -3.422 7.436 620 1HD ARG 81 1HD ARG 81 -15.254 -2.942 9.674 621 2HD ARG 81 2HD ARG 81 -15.176 -4.647 10.113 622 HE ARG 81 HE ARG 81 -12.987 -2.789 9.963 623 1HH1 ARG 81 1HH1 ARG 81 -13.889 -6.158 9.840 624 2HH1 ARG 81 2HH1 ARG 81 -12.330 -6.721 10.344 625 1HH2 ARG 81 1HH2 ARG 81 -10.942 -3.526 10.627 626 2HH2 ARG 81 2HH2 ARG 81 -10.657 -5.227 10.791 627 H SER 82 H SER 82 -17.154 -8.466 7.408 628 HA SER 82 HA SER 82 -15.442 -8.895 9.754 629 1HB SER 82 1HB SER 82 -18.361 -9.611 9.479 630 2HB SER 82 2HB SER 82 -17.309 -10.357 10.680 631 HG SER 82 HG SER 82 -18.610 -8.183 11.018 632 H PHE 83 H PHE 83 -15.617 -9.680 6.733 633 HA PHE 83 HA PHE 83 -15.383 -12.582 7.114 634 1HB PHE 83 1HB PHE 83 -15.745 -12.828 4.743 635 2HB PHE 83 2HB PHE 83 -17.003 -11.787 5.398 636 HD1 PHE 83 HD1 PHE 83 -14.292 -12.082 3.052 637 HD2 PHE 83 HD2 PHE 83 -16.866 -9.321 5.016 638 HE1 PHE 83 HE1 PHE 83 -13.768 -10.388 1.347 639 HE2 PHE 83 HE2 PHE 83 -16.347 -7.620 3.314 640 HZ PHE 83 HZ PHE 83 -14.799 -8.155 1.476 641 H GLY 84 H GLY 84 -13.399 -13.330 7.362 642 1HA GLY 84 1HA GLY 84 -11.168 -13.724 6.941 643 2HA GLY 84 2HA GLY 84 -11.293 -12.669 5.542 644 H ASP 85 H ASP 85 -10.025 -10.943 5.633 645 HA ASP 85 HA ASP 85 -9.785 -9.460 8.121 646 1HB ASP 85 1HB ASP 85 -7.785 -11.286 7.346 647 2HB ASP 85 2HB ASP 85 -7.151 -9.688 6.966 648 H ILE 86 H ILE 86 -10.802 -9.216 5.261 649 HA ILE 86 HA ILE 86 -9.271 -7.444 3.771 650 HB ILE 86 HB ILE 86 -11.306 -8.537 2.921 651 1HG1 ILE 86 1HG1 ILE 86 -11.754 -5.576 2.794 652 2HG1 ILE 86 2HG1 ILE 86 -10.371 -6.312 1.996 653 1HG2 ILE 86 1HG2 ILE 86 -12.467 -7.698 5.238 654 2HG2 ILE 86 2HG2 ILE 86 -13.343 -8.293 3.827 655 3HG2 ILE 86 3HG2 ILE 86 -13.128 -6.558 4.066 656 1HD1 ILE 86 1HD1 ILE 86 -13.257 -6.993 1.472 657 2HD1 ILE 86 2HD1 ILE 86 -11.857 -7.638 0.618 658 3HD1 ILE 86 3HD1 ILE 86 -12.261 -5.928 0.481 659 HA PRO 87 HA PRO 87 -9.459 -4.082 6.862 660 1HB PRO 87 1HB PRO 87 -7.504 -2.591 5.693 661 2HB PRO 87 2HB PRO 87 -7.163 -3.964 6.753 662 1HG PRO 87 1HG PRO 87 -7.227 -3.862 3.753 663 2HG PRO 87 2HG PRO 87 -6.012 -4.599 4.817 664 1HD PRO 87 1HD PRO 87 -7.907 -6.084 3.630 665 2HD PRO 87 2HD PRO 87 -7.347 -6.435 5.276 666 H LEU 88 H LEU 88 -11.657 -3.748 5.704 667 HA LEU 88 HA LEU 88 -11.508 -1.621 3.710 668 1HB LEU 88 1HB LEU 88 -13.843 -2.005 3.284 669 2HB LEU 88 2HB LEU 88 -12.971 -3.521 3.208 670 HG LEU 88 HG LEU 88 -13.783 -3.606 5.770 671 1HD1 LEU 88 1HD1 LEU 88 -15.738 -2.507 6.194 672 2HD1 LEU 88 2HD1 LEU 88 -16.220 -2.485 4.499 673 3HD1 LEU 88 3HD1 LEU 88 -15.005 -1.351 5.080 674 1HD2 LEU 88 1HD2 LEU 88 -15.967 -4.633 4.418 675 2HD2 LEU 88 2HD2 LEU 88 -14.473 -5.492 4.791 676 3HD2 LEU 88 3HD2 LEU 88 -14.669 -4.701 3.226 677 H VAL 89 H VAL 89 -12.978 0.218 3.869 678 HA VAL 89 HA VAL 89 -13.802 0.939 6.577 679 HB VAL 89 HB VAL 89 -11.543 1.811 6.430 680 1HG1 VAL 89 1HG1 VAL 89 -11.478 1.919 3.943 681 2HG1 VAL 89 2HG1 VAL 89 -10.830 3.352 4.741 682 3HG1 VAL 89 3HG1 VAL 89 -12.443 3.392 4.028 683 1HG2 VAL 89 1HG2 VAL 89 -11.989 3.912 7.251 684 2HG2 VAL 89 2HG2 VAL 89 -13.580 3.162 7.375 685 3HG2 VAL 89 3HG2 VAL 89 -13.218 4.246 6.031 686 H HIS 90 H HIS 90 -15.307 2.644 6.674 687 HA HIS 90 HA HIS 90 -16.949 2.864 4.297 688 1HB HIS 90 1HB HIS 90 -17.413 3.966 7.076 689 2HB HIS 90 2HB HIS 90 -18.606 3.855 5.783 690 HD1 HIS 90 HD1 HIS 90 -17.485 2.114 8.719 691 HD2 HIS 90 HD2 HIS 90 -19.012 0.995 4.993 692 HE1 HIS 90 HE1 HIS 90 -18.317 -0.274 8.980 693 HE2 HIS 90 HE2 HIS 90 -19.355 -0.853 6.759 694 H GLY 91 H GLY 91 -17.545 4.800 3.290 695 1HA GLY 91 1HA GLY 91 -15.705 7.047 3.825 696 2HA GLY 91 2HA GLY 91 -16.387 6.670 2.249 697 H MET 92 H MET 92 -18.194 6.683 5.266 698 HA MET 92 HA MET 92 -20.308 8.191 4.279 699 1HB MET 92 1HB MET 92 -20.491 6.800 6.276 700 2HB MET 92 2HB MET 92 -19.398 7.865 7.144 701 1HG MET 92 1HG MET 92 -21.070 9.169 7.757 702 2HG MET 92 2HG MET 92 -21.567 9.393 6.081 703 1HE MET 92 1HE MET 92 -24.845 8.466 8.124 704 2HE MET 92 2HE MET 92 -24.237 9.570 6.890 705 3HE MET 92 3HE MET 92 -23.486 9.532 8.484 706 HA PRO 93 HA PRO 93 -18.374 12.097 6.328 707 1HB PRO 93 1HB PRO 93 -15.776 12.021 7.073 708 2HB PRO 93 2HB PRO 93 -17.092 11.527 8.145 709 1HG PRO 93 1HG PRO 93 -15.260 9.837 6.495 710 2HG PRO 93 2HG PRO 93 -15.817 9.587 8.159 711 1HD PRO 93 1HD PRO 93 -16.881 8.298 6.017 712 2HD PRO 93 2HD PRO 93 -17.805 8.676 7.482 713 H PHE 94 H PHE 94 -16.161 10.150 4.348 714 HA PHE 94 HA PHE 94 -14.878 12.353 3.100 715 1HB PHE 94 1HB PHE 94 -14.744 9.501 2.981 716 2HB PHE 94 2HB PHE 94 -14.916 10.098 1.338 717 HD1 PHE 94 HD1 PHE 94 -13.197 12.361 3.590 718 HD2 PHE 94 HD2 PHE 94 -12.691 9.013 1.005 719 HE1 PHE 94 HE1 PHE 94 -10.778 12.793 3.502 720 HE2 PHE 94 HE2 PHE 94 -10.271 9.446 0.919 721 HZ PHE 94 HZ PHE 94 -9.314 11.337 2.168 722 H VAL 95 H VAL 95 -17.763 10.480 2.332 723 HA VAL 95 HA VAL 95 -18.170 11.704 -0.226 724 HB VAL 95 HB VAL 95 -19.071 9.475 0.326 725 1HG1 VAL 95 1HG1 VAL 95 -21.453 9.917 1.605 726 2HG1 VAL 95 2HG1 VAL 95 -20.346 10.971 2.482 727 3HG1 VAL 95 3HG1 VAL 95 -20.002 9.247 2.349 728 1HG2 VAL 95 1HG2 VAL 95 -20.945 11.643 -0.552 729 2HG2 VAL 95 2HG2 VAL 95 -21.446 9.954 -0.516 730 3HG2 VAL 95 3HG2 VAL 95 -20.092 10.450 -1.531 731 H SER 96 H SER 96 -18.957 12.548 3.026 732 HA SER 96 HA SER 96 -21.217 14.123 2.693 733 1HB SER 96 1HB SER 96 -19.996 13.445 4.853 734 2HB SER 96 2HB SER 96 -18.985 14.864 4.573 735 HG SER 96 HG SER 96 -20.617 15.626 5.782 736 H GLY 97 H GLY 97 -17.901 14.769 1.885 737 1HA GLY 97 1HA GLY 97 -17.006 16.464 0.587 738 2HA GLY 97 2HA GLY 97 -18.642 17.024 0.294 739 H VAL 98 H VAL 98 -18.458 16.891 3.547 740 HA VAL 98 HA VAL 98 -17.437 19.643 3.771 741 HB VAL 98 HB VAL 98 -19.841 18.405 5.115 742 1HG1 VAL 98 1HG1 VAL 98 -18.893 19.739 6.797 743 2HG1 VAL 98 2HG1 VAL 98 -20.129 20.756 6.055 744 3HG1 VAL 98 3HG1 VAL 98 -18.428 21.000 5.656 745 1HG2 VAL 98 1HG2 VAL 98 -20.332 19.100 2.881 746 2HG2 VAL 98 2HG2 VAL 98 -19.530 20.651 3.130 747 3HG2 VAL 98 3HG2 VAL 98 -21.028 20.285 3.985 748 H GLY 99 H GLY 99 -17.873 16.520 5.377 749 1HA GLY 99 1HA GLY 99 -16.305 17.385 7.667 750 2HA GLY 99 2HA GLY 99 -17.064 15.815 7.458 751 H ILE 100 H ILE 100 -15.256 16.823 4.746 752 HA ILE 100 HA ILE 100 -13.426 14.678 4.984 753 HB ILE 100 HB ILE 100 -13.062 17.109 3.238 754 1HG1 ILE 100 1HG1 ILE 100 -14.445 14.554 2.434 755 2HG1 ILE 100 2HG1 ILE 100 -15.334 15.953 3.032 756 1HG2 ILE 100 1HG2 ILE 100 -12.030 14.287 3.115 757 2HG2 ILE 100 2HG2 ILE 100 -11.097 15.772 3.296 758 3HG2 ILE 100 3HG2 ILE 100 -11.916 15.425 1.772 759 1HD1 ILE 100 1HD1 ILE 100 -13.808 15.627 0.490 760 2HD1 ILE 100 2HD1 ILE 100 -14.068 17.233 1.173 761 3HD1 ILE 100 3HD1 ILE 100 -15.447 16.221 0.753 762 H GLU 101 H GLU 101 -13.088 18.178 5.471 763 HA GLU 101 HA GLU 101 -10.399 18.411 5.893 764 1HB GLU 101 1HB GLU 101 -10.973 20.273 7.495 765 2HB GLU 101 2HB GLU 101 -11.721 20.377 5.908 766 1HG GLU 101 1HG GLU 101 -13.777 19.364 6.903 767 2HG GLU 101 2HG GLU 101 -13.010 19.514 8.483 768 H ALA 102 H ALA 102 -12.802 17.591 8.399 769 HA ALA 102 HA ALA 102 -10.842 17.207 10.428 770 1HB ALA 102 1HB ALA 102 -12.937 15.860 11.407 771 2HB ALA 102 2HB ALA 102 -13.761 16.815 10.175 772 3HB ALA 102 3HB ALA 102 -12.826 17.620 11.436 773 H LEU 103 H LEU 103 -12.664 15.007 8.325 774 HA LEU 103 HA LEU 103 -11.685 12.607 9.400 775 1HB LEU 103 1HB LEU 103 -13.630 12.790 7.860 776 2HB LEU 103 2HB LEU 103 -12.516 13.125 6.545 777 HG LEU 103 HG LEU 103 -11.435 10.852 7.228 778 1HD1 LEU 103 1HD1 LEU 103 -13.653 9.441 7.891 779 2HD1 LEU 103 2HD1 LEU 103 -13.898 10.921 8.819 780 3HD1 LEU 103 3HD1 LEU 103 -12.424 9.978 9.037 781 1HD2 LEU 103 1HD2 LEU 103 -13.530 9.778 5.906 782 2HD2 LEU 103 2HD2 LEU 103 -12.239 10.700 5.139 783 3HD2 LEU 103 3HD2 LEU 103 -13.762 11.490 5.546 784 H GLN 104 H GLN 104 -10.545 14.549 6.654 785 HA GLN 104 HA GLN 104 -8.481 12.921 5.806 786 1HB GLN 104 1HB GLN 104 -9.403 15.442 5.146 787 2HB GLN 104 2HB GLN 104 -7.761 15.741 5.701 788 1HG GLN 104 1HG GLN 104 -7.058 13.871 4.138 789 2HG GLN 104 2HG GLN 104 -8.676 13.980 3.451 790 1HE2 GLN 104 1HE2 GLN 104 -7.050 14.394 1.603 791 2HE2 GLN 104 2HE2 GLN 104 -6.726 16.057 1.266 792 H ASN 105 H ASN 105 -8.340 15.552 8.195 793 HA ASN 105 HA ASN 105 -5.654 15.380 8.850 794 1HB ASN 105 1HB ASN 105 -7.089 17.195 9.625 795 2HB ASN 105 2HB ASN 105 -7.984 16.075 10.648 796 1HD2 ASN 105 1HD2 ASN 105 -4.573 16.841 10.029 797 2HD2 ASN 105 2HD2 ASN 105 -4.126 16.973 11.692 798 H LYS 106 H LYS 106 -8.385 13.762 10.489 799 HA LYS 106 HA LYS 106 -6.732 12.301 12.261 800 1HB LYS 106 1HB LYS 106 -9.613 12.226 11.501 801 2HB LYS 106 2HB LYS 106 -8.941 10.844 12.353 802 1HG LYS 106 1HG LYS 106 -9.118 11.908 14.281 803 2HG LYS 106 2HG LYS 106 -8.103 13.220 13.681 804 1HD LYS 106 1HD LYS 106 -10.028 14.369 14.179 805 2HD LYS 106 2HD LYS 106 -10.319 13.967 12.487 806 1HE LYS 106 1HE LYS 106 -12.303 13.529 13.813 807 2HE LYS 106 2HE LYS 106 -11.641 12.021 13.185 808 1HZ LYS 106 1HZ LYS 106 -11.188 13.052 15.935 809 2HZ LYS 106 2HZ LYS 106 -10.676 11.559 15.327 810 3HZ LYS 106 3HZ LYS 106 -12.326 11.870 15.524 811 H ILE 107 H ILE 107 -8.293 11.439 9.180 812 HA ILE 107 HA ILE 107 -7.519 8.741 9.223 813 HB ILE 107 HB ILE 107 -9.256 9.780 7.691 814 1HG1 ILE 107 1HG1 ILE 107 -9.037 8.083 6.071 815 2HG1 ILE 107 2HG1 ILE 107 -7.279 8.100 6.159 816 1HG2 ILE 107 1HG2 ILE 107 -6.812 10.460 6.064 817 2HG2 ILE 107 2HG2 ILE 107 -7.902 11.600 6.847 818 3HG2 ILE 107 3HG2 ILE 107 -8.489 10.594 5.525 819 1HD1 ILE 107 1HD1 ILE 107 -8.774 6.220 7.300 820 2HD1 ILE 107 2HD1 ILE 107 -8.731 7.382 8.627 821 3HD1 ILE 107 3HD1 ILE 107 -7.226 6.746 7.961 822 H LEU 108 H LEU 108 -5.951 11.599 7.843 823 HA LEU 108 HA LEU 108 -3.837 10.266 6.583 824 1HB LEU 108 1HB LEU 108 -4.077 13.039 7.733 825 2HB LEU 108 2HB LEU 108 -2.612 12.486 6.943 826 HG LEU 108 HG LEU 108 -5.266 12.378 5.538 827 1HD1 LEU 108 1HD1 LEU 108 -3.782 14.745 6.303 828 2HD1 LEU 108 2HD1 LEU 108 -5.376 14.597 5.564 829 3HD1 LEU 108 3HD1 LEU 108 -3.934 14.597 4.552 830 1HD2 LEU 108 1HD2 LEU 108 -4.034 11.485 3.925 831 2HD2 LEU 108 2HD2 LEU 108 -2.575 11.664 4.899 832 3HD2 LEU 108 3HD2 LEU 108 -3.093 12.973 3.838 833 H THR 109 H THR 109 -4.105 11.611 9.854 834 HA THR 109 HA THR 109 -1.504 11.060 10.710 835 HB THR 109 HB THR 109 -4.028 11.125 12.373 836 HG1 THR 109 HG1 THR 109 -3.749 13.033 11.180 837 1HG2 THR 109 1HG2 THR 109 -2.705 11.683 14.240 838 2HG2 THR 109 2HG2 THR 109 -1.249 11.836 13.257 839 3HG2 THR 109 3HG2 THR 109 -1.972 10.248 13.522 840 H ILE 110 H ILE 110 -4.439 9.064 10.864 841 HA ILE 110 HA ILE 110 -3.432 6.974 12.401 842 HB ILE 110 HB ILE 110 -5.383 6.689 10.110 843 1HG1 ILE 110 1HG1 ILE 110 -6.255 6.895 12.953 844 2HG1 ILE 110 2HG1 ILE 110 -5.788 8.378 12.133 845 1HG2 ILE 110 1HG2 ILE 110 -6.219 4.805 11.615 846 2HG2 ILE 110 2HG2 ILE 110 -4.677 4.955 12.457 847 3HG2 ILE 110 3HG2 ILE 110 -4.710 4.532 10.746 848 1HD1 ILE 110 1HD1 ILE 110 -7.939 8.431 11.514 849 2HD1 ILE 110 2HD1 ILE 110 -8.165 6.705 11.804 850 3HD1 ILE 110 3HD1 ILE 110 -7.437 7.257 10.296 851 H LEU 111 H LEU 111 -3.420 7.322 8.855 852 HA LEU 111 HA LEU 111 -2.051 4.914 8.342 853 1HB LEU 111 1HB LEU 111 -2.000 7.404 6.641 854 2HB LEU 111 2HB LEU 111 -1.696 5.760 6.114 855 HG LEU 111 HG LEU 111 -4.352 6.387 7.315 856 1HD1 LEU 111 1HD1 LEU 111 -4.865 7.927 5.805 857 2HD1 LEU 111 2HD1 LEU 111 -4.630 6.717 4.544 858 3HD1 LEU 111 3HD1 LEU 111 -3.290 7.758 5.028 859 1HD2 LEU 111 1HD2 LEU 111 -4.942 4.427 6.416 860 2HD2 LEU 111 2HD2 LEU 111 -3.211 4.147 6.223 861 3HD2 LEU 111 3HD2 LEU 111 -4.155 4.790 4.879 862 H GLN 112 H GLN 112 -0.901 8.232 8.834 863 HA GLN 112 HA GLN 112 1.863 7.331 8.584 864 1HB GLN 112 1HB GLN 112 2.475 9.680 8.715 865 2HB GLN 112 2HB GLN 112 1.226 9.444 7.502 866 1HG GLN 112 1HG GLN 112 -0.446 10.200 9.183 867 2HG GLN 112 2HG GLN 112 0.887 10.581 10.267 868 1HE2 GLN 112 1HE2 GLN 112 -1.235 12.081 8.501 869 2HE2 GLN 112 2HE2 GLN 112 -0.310 13.383 7.846 870 H GLY 113 H GLY 113 0.097 6.532 10.848 871 1HA GLY 113 1HA GLY 113 0.804 7.910 13.197 872 2HA GLY 113 2HA GLY 113 0.249 6.244 13.116 Start of MODEL 20 1 1H MET 1 1H MET 1 8.709 16.958 -41.572 2 2H MET 1 2H MET 1 8.512 17.273 -43.246 3 3H MET 1 3H MET 1 9.226 15.802 -42.727 4 HA MET 1 HA MET 1 6.491 16.532 -43.016 5 1HB MET 1 1HB MET 1 8.252 14.133 -43.010 6 2HB MET 1 2HB MET 1 6.549 13.870 -42.665 7 1HG MET 1 1HG MET 1 5.935 14.227 -44.783 8 2HG MET 1 2HG MET 1 7.050 15.576 -44.986 9 1HE MET 1 1HE MET 1 6.491 12.042 -46.641 10 2HE MET 1 2HE MET 1 7.523 12.852 -47.820 11 3HE MET 1 3HE MET 1 6.192 13.728 -47.062 12 H GLY 2 H GLY 2 8.525 15.256 -40.430 13 1HA GLY 2 1HA GLY 2 7.933 15.796 -38.139 14 2HA GLY 2 2HA GLY 2 6.244 15.619 -38.593 15 H SER 3 H SER 3 9.280 13.784 -38.299 16 HA SER 3 HA SER 3 7.898 11.262 -38.231 17 1HB SER 3 1HB SER 3 10.151 11.360 -39.151 18 2HB SER 3 2HB SER 3 10.778 11.981 -37.625 19 HG SER 3 HG SER 3 10.350 9.431 -38.371 20 H SER 4 H SER 4 6.574 12.504 -36.389 21 HA SER 4 HA SER 4 5.943 12.604 -34.208 22 1HB SER 4 1HB SER 4 7.175 9.977 -34.618 23 2HB SER 4 2HB SER 4 7.160 10.488 -32.930 24 HG SER 4 HG SER 4 4.914 10.420 -34.663 25 H HIS 5 H HIS 5 8.240 14.147 -34.903 26 HA HIS 5 HA HIS 5 9.539 14.237 -32.269 27 1HB HIS 5 1HB HIS 5 10.874 14.418 -34.969 28 2HB HIS 5 2HB HIS 5 11.642 14.981 -33.488 29 HD1 HIS 5 HD1 HIS 5 11.414 12.911 -31.496 30 HD2 HIS 5 HD2 HIS 5 11.749 11.931 -35.547 31 HE1 HIS 5 HE1 HIS 5 12.256 10.521 -31.576 32 HE2 HIS 5 HE2 HIS 5 12.520 9.986 -34.024 33 H HIS 6 H HIS 6 7.310 15.782 -33.521 34 HA HIS 6 HA HIS 6 8.517 18.451 -33.209 35 1HB HIS 6 1HB HIS 6 6.527 17.505 -35.246 36 2HB HIS 6 2HB HIS 6 6.563 19.193 -34.753 37 HD1 HIS 6 HD1 HIS 6 9.525 19.781 -34.637 38 HD2 HIS 6 HD2 HIS 6 7.752 17.502 -37.657 39 HE1 HIS 6 HE1 HIS 6 11.104 19.892 -36.621 40 HE2 HIS 6 HE2 HIS 6 10.078 18.386 -38.362 41 H HIS 7 H HIS 7 7.873 17.887 -30.934 42 HA HIS 7 HA HIS 7 5.268 19.067 -30.404 43 1HB HIS 7 1HB HIS 7 4.876 17.214 -28.642 44 2HB HIS 7 2HB HIS 7 4.524 16.848 -30.327 45 HD1 HIS 7 HD1 HIS 7 6.010 15.368 -27.499 46 HD2 HIS 7 HD2 HIS 7 7.051 15.594 -31.539 47 HE1 HIS 7 HE1 HIS 7 7.636 13.465 -27.916 48 HE2 HIS 7 HE2 HIS 7 8.342 13.713 -30.323 49 H HIS 8 H HIS 8 7.953 17.408 -28.742 50 HA HIS 8 HA HIS 8 8.876 19.738 -27.448 51 1HB HIS 8 1HB HIS 8 6.633 18.505 -26.208 52 2HB HIS 8 2HB HIS 8 8.034 18.205 -25.186 53 HD1 HIS 8 HD1 HIS 8 6.286 19.861 -23.701 54 HD2 HIS 8 HD2 HIS 8 8.658 21.548 -26.703 55 HE1 HIS 8 HE1 HIS 8 6.415 22.342 -23.190 56 HE2 HIS 8 HE2 HIS 8 7.924 23.312 -24.961 57 H HIS 9 H HIS 9 9.643 17.127 -28.799 58 HA HIS 9 HA HIS 9 11.308 15.597 -28.740 59 1HB HIS 9 1HB HIS 9 12.615 17.357 -26.668 60 2HB HIS 9 2HB HIS 9 13.392 16.310 -27.849 61 HD1 HIS 9 HD1 HIS 9 14.197 17.420 -29.912 62 HD2 HIS 9 HD2 HIS 9 11.198 19.608 -27.992 63 HE1 HIS 9 HE1 HIS 9 13.959 19.585 -31.214 64 HE2 HIS 9 HE2 HIS 9 12.226 20.924 -29.968 65 H HIS 10 H HIS 10 11.793 16.545 -25.356 66 HA HIS 10 HA HIS 10 10.264 14.596 -24.110 67 1HB HIS 10 1HB HIS 10 12.163 13.284 -25.518 68 2HB HIS 10 2HB HIS 10 13.035 13.550 -24.011 69 HD1 HIS 10 HD1 HIS 10 10.930 11.161 -25.593 70 HD2 HIS 10 HD2 HIS 10 11.296 12.637 -21.700 71 HE1 HIS 10 HE1 HIS 10 9.830 9.447 -24.083 72 HE2 HIS 10 HE2 HIS 10 10.006 10.398 -21.755 73 H HIS 11 H HIS 11 10.694 14.419 -21.835 74 HA HIS 11 HA HIS 11 12.824 16.084 -20.759 75 1HB HIS 11 1HB HIS 11 9.894 16.621 -20.272 76 2HB HIS 11 2HB HIS 11 11.175 17.253 -19.242 77 HD1 HIS 11 HD1 HIS 11 9.417 17.812 -22.441 78 HD2 HIS 11 HD2 HIS 11 12.873 19.178 -20.528 79 HE1 HIS 11 HE1 HIS 11 10.144 19.891 -23.698 80 HE2 HIS 11 HE2 HIS 11 12.280 20.630 -22.585 81 H HIS 12 H HIS 12 10.268 13.741 -20.266 82 HA HIS 12 HA HIS 12 11.701 12.776 -17.891 83 1HB HIS 12 1HB HIS 12 9.492 12.188 -16.876 84 2HB HIS 12 2HB HIS 12 9.764 13.921 -17.027 85 HD1 HIS 12 HD1 HIS 12 8.885 14.492 -19.853 86 HD2 HIS 12 HD2 HIS 12 6.832 11.893 -17.303 87 HE1 HIS 12 HE1 HIS 12 6.512 14.371 -20.734 88 HE2 HIS 12 HE2 HIS 12 5.278 12.875 -19.125 89 H GLU 13 H GLU 13 12.195 10.680 -17.978 90 HA GLU 13 HA GLU 13 10.667 8.955 -19.811 91 1HB GLU 13 1HB GLU 13 13.515 9.576 -19.792 92 2HB GLU 13 2HB GLU 13 13.211 7.847 -19.714 93 1HG GLU 13 1HG GLU 13 11.513 9.043 -21.682 94 2HG GLU 13 2HG GLU 13 13.189 9.502 -21.972 95 H ASN 14 H ASN 14 9.666 8.822 -17.478 96 HA ASN 14 HA ASN 14 9.238 7.574 -15.622 97 1HB ASN 14 1HB ASN 14 10.733 5.480 -17.214 98 2HB ASN 14 2HB ASN 14 9.717 5.157 -15.812 99 1HD2 ASN 14 1HD2 ASN 14 8.725 3.737 -17.494 100 2HD2 ASN 14 2HD2 ASN 14 7.452 4.411 -18.447 101 H LEU 15 H LEU 15 10.432 8.661 -14.083 102 HA LEU 15 HA LEU 15 13.232 8.018 -13.700 103 1HB LEU 15 1HB LEU 15 12.201 10.327 -13.405 104 2HB LEU 15 2HB LEU 15 11.501 9.717 -11.917 105 HG LEU 15 HG LEU 15 14.433 9.395 -12.249 106 1HD1 LEU 15 1HD1 LEU 15 13.325 12.040 -11.374 107 2HD1 LEU 15 2HD1 LEU 15 13.769 11.734 -13.053 108 3HD1 LEU 15 3HD1 LEU 15 14.987 11.615 -11.783 109 1HD2 LEU 15 1HD2 LEU 15 13.748 8.601 -10.212 110 2HD2 LEU 15 2HD2 LEU 15 12.452 9.788 -10.062 111 3HD2 LEU 15 3HD2 LEU 15 14.127 10.272 -9.792 112 H TYR 16 H TYR 16 13.872 6.330 -12.554 113 HA TYR 16 HA TYR 16 13.977 4.682 -10.994 114 1HB TYR 16 1HB TYR 16 13.833 6.533 -9.387 115 2HB TYR 16 2HB TYR 16 12.076 6.467 -9.460 116 HD1 TYR 16 HD1 TYR 16 10.962 4.251 -8.743 117 HD2 TYR 16 HD2 TYR 16 14.986 5.267 -7.805 118 HE1 TYR 16 HE1 TYR 16 10.942 2.610 -6.913 119 HE2 TYR 16 HE2 TYR 16 14.978 3.628 -5.972 120 HH TYR 16 HH TYR 16 13.826 1.716 -5.212 121 H PHE 17 H PHE 17 13.016 2.731 -10.680 122 HA PHE 17 HA PHE 17 10.519 2.267 -12.012 123 1HB PHE 17 1HB PHE 17 12.713 0.736 -11.627 124 2HB PHE 17 2HB PHE 17 11.680 0.113 -10.344 125 HD1 PHE 17 HD1 PHE 17 11.208 1.156 -13.901 126 HD2 PHE 17 HD2 PHE 17 10.571 -1.802 -10.908 127 HE1 PHE 17 HE1 PHE 17 10.022 -0.244 -15.542 128 HE2 PHE 17 HE2 PHE 17 9.385 -3.207 -12.543 129 HZ PHE 17 HZ PHE 17 9.110 -2.429 -14.864 130 H GLN 18 H GLN 18 8.796 3.108 -10.961 131 HA GLN 18 HA GLN 18 8.426 3.209 -8.189 132 1HB GLN 18 1HB GLN 18 7.161 4.471 -10.018 133 2HB GLN 18 2HB GLN 18 6.179 3.022 -10.189 134 1HG GLN 18 1HG GLN 18 5.955 3.349 -7.560 135 2HG GLN 18 2HG GLN 18 6.252 5.026 -8.016 136 1HE2 GLN 18 1HE2 GLN 18 4.235 2.233 -8.821 137 2HE2 GLN 18 2HE2 GLN 18 2.827 3.146 -9.231 138 H GLY 19 H GLY 19 8.966 1.185 -7.318 139 1HA GLY 19 1HA GLY 19 7.909 -1.281 -8.088 140 2HA GLY 19 2HA GLY 19 8.507 -0.899 -6.481 141 H SER 20 H SER 20 6.759 -2.463 -5.930 142 HA SER 20 HA SER 20 4.137 -1.126 -5.784 143 1HB SER 20 1HB SER 20 4.927 -3.893 -6.370 144 2HB SER 20 2HB SER 20 3.637 -3.759 -5.175 145 HG SER 20 HG SER 20 2.556 -2.372 -6.719 146 H LYS 21 H LYS 21 2.990 -1.168 -3.830 147 HA LYS 21 HA LYS 21 4.397 -2.194 -1.476 148 1HB LYS 21 1HB LYS 21 3.189 0.565 -1.446 149 2HB LYS 21 2HB LYS 21 4.239 -0.174 -0.251 150 1HG LYS 21 1HG LYS 21 5.559 -0.059 -2.797 151 2HG LYS 21 2HG LYS 21 4.951 1.525 -2.339 152 1HD LYS 21 1HD LYS 21 6.565 1.778 -0.837 153 2HD LYS 21 2HD LYS 21 6.143 0.249 -0.065 154 1HE LYS 21 1HE LYS 21 7.985 -0.689 -0.873 155 2HE LYS 21 2HE LYS 21 7.478 -0.311 -2.519 156 1HZ LYS 21 1HZ LYS 21 9.697 0.613 -1.672 157 2HZ LYS 21 2HZ LYS 21 8.758 1.743 -0.835 158 3HZ LYS 21 3HZ LYS 21 8.670 1.655 -2.522 159 H ARG 22 H ARG 22 1.543 -0.099 -1.908 160 HA ARG 22 HA ARG 22 -0.093 -2.267 -0.781 161 1HB ARG 22 1HB ARG 22 -0.588 0.643 -0.187 162 2HB ARG 22 2HB ARG 22 -1.236 -0.763 0.640 163 1HG ARG 22 1HG ARG 22 0.332 -0.187 2.159 164 2HG ARG 22 2HG ARG 22 1.346 -1.187 1.117 165 1HD ARG 22 1HD ARG 22 2.693 0.590 1.001 166 2HD ARG 22 2HD ARG 22 1.493 1.271 -0.089 167 HE ARG 22 HE ARG 22 0.501 2.306 1.965 168 1HH1 ARG 22 1HH1 ARG 22 3.905 1.507 1.807 169 2HH1 ARG 22 2HH1 ARG 22 4.355 2.676 2.999 170 1HH2 ARG 22 1HH2 ARG 22 1.102 3.836 3.531 171 2HH2 ARG 22 2HH2 ARG 22 2.767 3.999 3.977 172 H LYS 23 H LYS 23 -2.298 -2.294 -1.400 173 HA LYS 23 HA LYS 23 -2.958 -0.644 -3.744 174 1HB LYS 23 1HB LYS 23 -2.866 -3.585 -3.500 175 2HB LYS 23 2HB LYS 23 -4.304 -2.942 -4.279 176 1HG LYS 23 1HG LYS 23 -2.845 -3.342 -6.038 177 2HG LYS 23 2HG LYS 23 -2.687 -1.611 -5.744 178 1HD LYS 23 1HD LYS 23 -0.490 -2.469 -6.033 179 2HD LYS 23 2HD LYS 23 -0.691 -2.142 -4.311 180 1HE LYS 23 1HE LYS 23 0.156 -4.225 -4.110 181 2HE LYS 23 2HE LYS 23 -1.519 -4.693 -4.393 182 1HZ LYS 23 1HZ LYS 23 0.581 -4.491 -6.481 183 2HZ LYS 23 2HZ LYS 23 -1.023 -4.969 -6.732 184 3HZ LYS 23 3HZ LYS 23 0.011 -5.931 -5.800 185 H ILE 24 H ILE 24 -4.635 0.600 -3.192 186 HA ILE 24 HA ILE 24 -6.575 -0.400 -1.248 187 HB ILE 24 HB ILE 24 -6.368 2.367 -2.417 188 1HG1 ILE 24 1HG1 ILE 24 -5.467 1.651 0.344 189 2HG1 ILE 24 2HG1 ILE 24 -4.374 1.418 -1.012 190 1HG2 ILE 24 1HG2 ILE 24 -7.600 2.854 -0.199 191 2HG2 ILE 24 2HG2 ILE 24 -7.987 1.135 -0.229 192 3HG2 ILE 24 3HG2 ILE 24 -8.510 2.180 -1.551 193 1HD1 ILE 24 1HD1 ILE 24 -5.637 3.998 -0.126 194 2HD1 ILE 24 2HD1 ILE 24 -4.658 3.807 -1.581 195 3HD1 ILE 24 3HD1 ILE 24 -3.939 3.538 0.007 196 H ILE 25 H ILE 25 -8.894 -0.230 -1.660 197 HA ILE 25 HA ILE 25 -9.574 -0.057 -4.502 198 HB ILE 25 HB ILE 25 -11.044 -1.918 -4.373 199 1HG1 ILE 25 1HG1 ILE 25 -10.466 -1.853 -1.413 200 2HG1 ILE 25 2HG1 ILE 25 -12.024 -1.701 -2.217 201 1HG2 ILE 25 1HG2 ILE 25 -9.312 -3.245 -4.754 202 2HG2 ILE 25 2HG2 ILE 25 -9.100 -3.469 -3.019 203 3HG2 ILE 25 3HG2 ILE 25 -8.258 -2.162 -3.848 204 1HD1 ILE 25 1HD1 ILE 25 -11.013 -4.183 -3.005 205 2HD1 ILE 25 2HD1 ILE 25 -12.330 -3.867 -1.877 206 3HD1 ILE 25 3HD1 ILE 25 -10.682 -4.056 -1.280 207 H VAL 26 H VAL 26 -11.566 0.837 -4.998 208 HA VAL 26 HA VAL 26 -13.062 1.941 -2.710 209 HB VAL 26 HB VAL 26 -11.758 3.735 -3.782 210 1HG1 VAL 26 1HG1 VAL 26 -13.420 3.250 -6.245 211 2HG1 VAL 26 2HG1 VAL 26 -11.764 2.674 -6.054 212 3HG1 VAL 26 3HG1 VAL 26 -12.104 4.404 -6.041 213 1HG2 VAL 26 1HG2 VAL 26 -14.722 3.712 -3.762 214 2HG2 VAL 26 2HG2 VAL 26 -13.930 5.079 -4.545 215 3HG2 VAL 26 3HG2 VAL 26 -13.589 4.713 -2.855 216 H ALA 27 H ALA 27 -15.029 1.096 -2.655 217 HA ALA 27 HA ALA 27 -16.324 0.401 -5.207 218 1HB ALA 27 1HB ALA 27 -16.481 -0.879 -2.500 219 2HB ALA 27 2HB ALA 27 -16.056 -1.609 -4.048 220 3HB ALA 27 3HB ALA 27 -17.726 -1.145 -3.720 221 H CYS 28 H CYS 28 -17.999 1.580 -5.776 222 HA CYS 28 HA CYS 28 -19.700 2.767 -3.695 223 1HB CYS 28 1HB CYS 28 -17.887 4.288 -5.027 224 2HB CYS 28 2HB CYS 28 -19.282 4.445 -6.090 225 HG CYS 28 HG CYS 28 -18.985 5.702 -3.333 226 H GLY 29 H GLY 29 -21.770 2.319 -4.008 227 1HA GLY 29 1HA GLY 29 -22.660 0.927 -6.328 228 2HA GLY 29 2HA GLY 29 -23.674 1.499 -5.010 229 H GLY 30 H GLY 30 -22.623 2.031 -8.215 230 1HA GLY 30 1HA GLY 30 -24.222 3.337 -9.575 231 2HA GLY 30 2HA GLY 30 -24.189 4.537 -8.293 232 H ALA 31 H ALA 31 -21.541 4.829 -7.767 233 HA ALA 31 HA ALA 31 -19.765 6.084 -8.452 234 1HB ALA 31 1HB ALA 31 -18.740 5.252 -10.658 235 2HB ALA 31 2HB ALA 31 -20.012 4.032 -10.624 236 3HB ALA 31 3HB ALA 31 -18.843 4.123 -9.308 237 H VAL 32 H VAL 32 -21.035 8.010 -8.636 238 HA VAL 32 HA VAL 32 -21.042 9.058 -11.354 239 HB VAL 32 HB VAL 32 -23.301 10.020 -11.117 240 1HG1 VAL 32 1HG1 VAL 32 -23.161 7.015 -10.892 241 2HG1 VAL 32 2HG1 VAL 32 -23.030 7.968 -12.370 242 3HG1 VAL 32 3HG1 VAL 32 -24.552 7.925 -11.482 243 1HG2 VAL 32 1HG2 VAL 32 -23.015 9.070 -8.431 244 2HG2 VAL 32 2HG2 VAL 32 -24.440 8.335 -9.163 245 3HG2 VAL 32 3HG2 VAL 32 -24.277 10.091 -9.120 246 H ALA 33 H ALA 33 -19.770 10.770 -11.164 247 HA ALA 33 HA ALA 33 -19.031 12.848 -10.540 248 1HB ALA 33 1HB ALA 33 -21.705 12.832 -9.684 249 2HB ALA 33 2HB ALA 33 -20.658 14.229 -9.928 250 3HB ALA 33 3HB ALA 33 -20.764 13.475 -8.338 251 H THR 34 H THR 34 -19.919 10.650 -7.914 252 HA THR 34 HA THR 34 -17.991 11.752 -6.095 253 HB THR 34 HB THR 34 -18.667 9.974 -4.591 254 HG1 THR 34 HG1 THR 34 -20.315 8.919 -6.623 255 1HG2 THR 34 1HG2 THR 34 -20.260 11.905 -5.021 256 2HG2 THR 34 2HG2 THR 34 -20.925 10.456 -4.268 257 3HG2 THR 34 3HG2 THR 34 -21.196 10.761 -5.984 258 H SER 35 H SER 35 -17.862 9.612 -8.711 259 HA SER 35 HA SER 35 -15.819 7.863 -7.775 260 1HB SER 35 1HB SER 35 -17.388 8.162 -10.145 261 2HB SER 35 2HB SER 35 -15.690 8.090 -10.612 262 HG SER 35 HG SER 35 -15.634 6.062 -10.056 263 H THR 36 H THR 36 -15.741 10.616 -10.047 264 HA THR 36 HA THR 36 -12.925 10.688 -10.232 265 HB THR 36 HB THR 36 -14.359 11.705 -11.928 266 HG1 THR 36 HG1 THR 36 -12.985 13.279 -12.311 267 1HG2 THR 36 1HG2 THR 36 -15.350 13.949 -11.484 268 2HG2 THR 36 2HG2 THR 36 -15.111 13.646 -9.763 269 3HG2 THR 36 3HG2 THR 36 -16.179 12.602 -10.703 270 H MET 37 H MET 37 -15.229 12.312 -8.124 271 HA MET 37 HA MET 37 -13.483 14.162 -6.948 272 1HB MET 37 1HB MET 37 -15.918 14.286 -6.714 273 2HB MET 37 2HB MET 37 -15.910 12.815 -5.751 274 1HG MET 37 1HG MET 37 -14.192 14.303 -4.326 275 2HG MET 37 2HG MET 37 -15.200 15.575 -5.011 276 1HE MET 37 1HE MET 37 -16.317 14.951 -1.252 277 2HE MET 37 2HE MET 37 -16.209 16.288 -2.396 278 3HE MET 37 3HE MET 37 -14.808 15.255 -2.114 279 H ALA 38 H ALA 38 -14.488 10.952 -5.744 280 HA ALA 38 HA ALA 38 -12.743 10.973 -3.522 281 1HB ALA 38 1HB ALA 38 -13.302 8.303 -4.459 282 2HB ALA 38 2HB ALA 38 -14.754 9.304 -4.484 283 3HB ALA 38 3HB ALA 38 -13.840 9.114 -2.988 284 H ALA 39 H ALA 39 -12.507 9.390 -6.691 285 HA ALA 39 HA ALA 39 -10.095 8.100 -6.411 286 1HB ALA 39 1HB ALA 39 -11.692 8.026 -8.372 287 2HB ALA 39 2HB ALA 39 -9.974 8.013 -8.770 288 3HB ALA 39 3HB ALA 39 -10.909 9.498 -8.947 289 H GLU 40 H GLU 40 -10.599 11.427 -7.603 290 HA GLU 40 HA GLU 40 -7.865 12.039 -7.896 291 1HB GLU 40 1HB GLU 40 -8.539 14.318 -8.148 292 2HB GLU 40 2HB GLU 40 -9.779 13.324 -8.898 293 1HG GLU 40 1HG GLU 40 -11.360 14.085 -7.531 294 2HG GLU 40 2HG GLU 40 -10.348 13.891 -6.107 295 H GLU 41 H GLU 41 -10.035 12.173 -5.161 296 HA GLU 41 HA GLU 41 -8.425 13.765 -3.466 297 1HB GLU 41 1HB GLU 41 -10.899 13.195 -3.210 298 2HB GLU 41 2HB GLU 41 -10.369 11.655 -2.545 299 1HG GLU 41 1HG GLU 41 -10.659 12.869 -0.643 300 2HG GLU 41 2HG GLU 41 -8.951 13.167 -0.960 301 H ILE 42 H ILE 42 -8.887 10.243 -3.636 302 HA ILE 42 HA ILE 42 -6.978 9.599 -1.660 303 HB ILE 42 HB ILE 42 -7.760 7.823 -3.957 304 1HG1 ILE 42 1HG1 ILE 42 -9.322 7.420 -1.553 305 2HG1 ILE 42 2HG1 ILE 42 -9.532 9.057 -2.164 306 1HG2 ILE 42 1HG2 ILE 42 -6.007 6.892 -2.640 307 2HG2 ILE 42 2HG2 ILE 42 -7.498 6.057 -2.202 308 3HG2 ILE 42 3HG2 ILE 42 -6.840 7.301 -1.139 309 1HD1 ILE 42 1HD1 ILE 42 -10.292 6.460 -3.383 310 2HD1 ILE 42 2HD1 ILE 42 -9.873 7.803 -4.448 311 3HD1 ILE 42 3HD1 ILE 42 -11.188 7.975 -3.287 312 H LYS 43 H LYS 43 -6.759 9.952 -5.169 313 HA LYS 43 HA LYS 43 -4.084 9.000 -5.375 314 1HB LYS 43 1HB LYS 43 -6.117 9.876 -7.161 315 2HB LYS 43 2HB LYS 43 -4.675 10.825 -7.495 316 1HG LYS 43 1HG LYS 43 -4.040 8.028 -7.150 317 2HG LYS 43 2HG LYS 43 -5.245 8.271 -8.416 318 1HD LYS 43 1HD LYS 43 -3.399 10.272 -8.887 319 2HD LYS 43 2HD LYS 43 -2.403 8.904 -8.391 320 1HE LYS 43 1HE LYS 43 -3.574 7.507 -10.073 321 2HE LYS 43 2HE LYS 43 -4.441 8.944 -10.612 322 1HZ LYS 43 1HZ LYS 43 -2.738 9.435 -11.914 323 2HZ LYS 43 2HZ LYS 43 -1.901 8.064 -11.387 324 3HZ LYS 43 3HZ LYS 43 -1.707 9.535 -10.577 325 H GLU 44 H GLU 44 -5.480 12.282 -5.444 326 HA GLU 44 HA GLU 44 -3.130 13.734 -5.642 327 1HB GLU 44 1HB GLU 44 -4.349 15.624 -4.886 328 2HB GLU 44 2HB GLU 44 -5.503 14.615 -5.743 329 1HG GLU 44 1HG GLU 44 -6.490 13.876 -3.723 330 2HG GLU 44 2HG GLU 44 -5.192 14.564 -2.754 331 H LEU 45 H LEU 45 -4.643 12.321 -2.797 332 HA LEU 45 HA LEU 45 -2.907 13.546 -0.903 333 1HB LEU 45 1HB LEU 45 -5.143 11.742 -0.875 334 2HB LEU 45 2HB LEU 45 -3.873 11.117 0.161 335 HG LEU 45 HG LEU 45 -4.139 13.887 0.732 336 1HD1 LEU 45 1HD1 LEU 45 -6.668 12.585 0.059 337 2HD1 LEU 45 2HD1 LEU 45 -6.280 14.295 0.240 338 3HD1 LEU 45 3HD1 LEU 45 -6.639 13.318 1.663 339 1HD2 LEU 45 1HD2 LEU 45 -3.613 12.911 2.656 340 2HD2 LEU 45 2HD2 LEU 45 -4.138 11.331 2.076 341 3HD2 LEU 45 3HD2 LEU 45 -5.303 12.436 2.804 342 H CYS 46 H CYS 46 -2.976 10.348 -2.442 343 HA CYS 46 HA CYS 46 -0.878 9.135 -1.125 344 1HB CYS 46 1HB CYS 46 -1.775 8.907 -3.997 345 2HB CYS 46 2HB CYS 46 -0.528 7.874 -3.305 346 HG CYS 46 HG CYS 46 -2.810 6.646 -3.133 347 H GLN 47 H GLN 47 -0.782 11.513 -3.708 348 HA GLN 47 HA GLN 47 2.054 11.279 -4.112 349 1HB GLN 47 1HB GLN 47 0.099 12.191 -5.688 350 2HB GLN 47 2HB GLN 47 0.589 13.719 -4.970 351 1HG GLN 47 1HG GLN 47 2.134 13.823 -6.556 352 2HG GLN 47 2HG GLN 47 2.982 12.552 -5.676 353 1HE2 GLN 47 1HE2 GLN 47 2.451 10.323 -6.266 354 2HE2 GLN 47 2HE2 GLN 47 2.070 9.971 -7.914 355 H SER 48 H SER 48 -0.104 13.381 -2.294 356 HA SER 48 HA SER 48 1.660 15.416 -1.612 357 1HB SER 48 1HB SER 48 -0.929 14.530 -0.777 358 2HB SER 48 2HB SER 48 0.026 14.891 0.660 359 HG SER 48 HG SER 48 0.221 16.955 0.037 360 H HIS 49 H HIS 49 1.115 12.292 -0.036 361 HA HIS 49 HA HIS 49 3.258 12.826 1.865 362 1HB HIS 49 1HB HIS 49 0.981 10.972 1.711 363 2HB HIS 49 2HB HIS 49 2.448 10.265 2.381 364 HD1 HIS 49 HD1 HIS 49 0.697 13.631 2.870 365 HD2 HIS 49 HD2 HIS 49 2.331 10.470 5.063 366 HE1 HIS 49 HE1 HIS 49 0.421 14.252 5.314 367 HE2 HIS 49 HE2 HIS 49 1.503 12.376 6.604 368 H ASN 50 H ASN 50 3.111 11.708 -1.233 369 HA ASN 50 HA ASN 50 4.471 10.470 -2.571 370 1HB ASN 50 1HB ASN 50 6.313 11.347 -0.371 371 2HB ASN 50 2HB ASN 50 6.903 10.288 -1.648 372 1HD2 ASN 50 1HD2 ASN 50 8.335 11.972 -2.249 373 2HD2 ASN 50 2HD2 ASN 50 7.778 13.309 -3.193 374 H ILE 51 H ILE 51 2.813 8.833 -1.380 375 HA ILE 51 HA ILE 51 4.445 6.612 -0.337 376 HB ILE 51 HB ILE 51 1.465 6.904 0.011 377 1HG1 ILE 51 1HG1 ILE 51 3.579 7.601 2.053 378 2HG1 ILE 51 2HG1 ILE 51 2.773 8.801 1.049 379 1HG2 ILE 51 1HG2 ILE 51 2.201 5.402 2.051 380 2HG2 ILE 51 2HG2 ILE 51 3.557 5.031 0.986 381 3HG2 ILE 51 3HG2 ILE 51 1.906 4.707 0.457 382 1HD1 ILE 51 1HD1 ILE 51 1.949 8.159 3.494 383 2HD1 ILE 51 2HD1 ILE 51 1.037 6.964 2.571 384 3HD1 ILE 51 3HD1 ILE 51 0.848 8.682 2.219 385 HA PRO 52 HA PRO 52 3.478 5.041 -4.479 386 1HB PRO 52 1HB PRO 52 4.922 2.690 -3.412 387 2HB PRO 52 2HB PRO 52 5.190 3.593 -4.901 388 1HG PRO 52 1HG PRO 52 6.842 3.813 -2.791 389 2HG PRO 52 2HG PRO 52 6.496 5.179 -3.866 390 1HD PRO 52 1HD PRO 52 5.497 4.628 -1.115 391 2HD PRO 52 2HD PRO 52 5.850 6.179 -1.905 392 H VAL 53 H VAL 53 1.513 4.298 -4.840 393 HA VAL 53 HA VAL 53 0.630 1.775 -3.786 394 HB VAL 53 HB VAL 53 -1.487 2.652 -2.825 395 1HG1 VAL 53 1HG1 VAL 53 -0.616 3.084 -0.696 396 2HG1 VAL 53 2HG1 VAL 53 0.826 3.866 -1.345 397 3HG1 VAL 53 3HG1 VAL 53 0.627 2.121 -1.492 398 1HG2 VAL 53 1HG2 VAL 53 -2.074 4.790 -2.972 399 2HG2 VAL 53 2HG2 VAL 53 -0.659 5.054 -3.990 400 3HG2 VAL 53 3HG2 VAL 53 -0.555 5.318 -2.249 401 H GLU 54 H GLU 54 -1.620 1.263 -4.643 402 HA GLU 54 HA GLU 54 -2.108 2.678 -7.177 403 1HB GLU 54 1HB GLU 54 -2.538 -0.278 -6.952 404 2HB GLU 54 2HB GLU 54 -2.319 0.697 -8.394 405 1HG GLU 54 1HG GLU 54 0.006 0.802 -6.681 406 2HG GLU 54 2HG GLU 54 -0.411 -0.851 -7.113 407 H LEU 55 H LEU 55 -4.084 3.509 -7.213 408 HA LEU 55 HA LEU 55 -6.116 2.456 -5.409 409 1HB LEU 55 1HB LEU 55 -5.792 4.843 -5.379 410 2HB LEU 55 2HB LEU 55 -6.022 4.942 -7.113 411 HG LEU 55 HG LEU 55 -8.333 3.746 -5.837 412 1HD1 LEU 55 1HD1 LEU 55 -7.118 5.805 -4.323 413 2HD1 LEU 55 2HD1 LEU 55 -8.681 5.032 -4.067 414 3HD1 LEU 55 3HD1 LEU 55 -8.566 6.474 -5.075 415 1HD2 LEU 55 1HD2 LEU 55 -8.146 4.783 -8.124 416 2HD2 LEU 55 2HD2 LEU 55 -8.115 6.355 -7.324 417 3HD2 LEU 55 3HD2 LEU 55 -9.527 5.311 -7.162 418 H ILE 56 H ILE 56 -7.461 0.965 -6.080 419 HA ILE 56 HA ILE 56 -8.146 0.806 -8.936 420 HB ILE 56 HB ILE 56 -7.143 -1.216 -7.912 421 1HG1 ILE 56 1HG1 ILE 56 -9.821 -2.261 -8.392 422 2HG1 ILE 56 2HG1 ILE 56 -9.346 -1.063 -9.592 423 1HG2 ILE 56 1HG2 ILE 56 -9.549 -1.965 -6.446 424 2HG2 ILE 56 2HG2 ILE 56 -8.656 -0.618 -5.747 425 3HG2 ILE 56 3HG2 ILE 56 -7.849 -2.158 -6.021 426 1HD1 ILE 56 1HD1 ILE 56 -7.386 -2.328 -10.154 427 2HD1 ILE 56 2HD1 ILE 56 -8.803 -3.375 -10.241 428 3HD1 ILE 56 3HD1 ILE 56 -7.714 -3.478 -8.858 429 H GLN 57 H GLN 57 -10.351 0.568 -9.560 430 HA GLN 57 HA GLN 57 -12.287 1.325 -7.481 431 1HB GLN 57 1HB GLN 57 -12.232 2.171 -10.388 432 2HB GLN 57 2HB GLN 57 -13.555 2.498 -9.277 433 1HG GLN 57 1HG GLN 57 -12.548 4.401 -8.771 434 2HG GLN 57 2HG GLN 57 -11.299 3.452 -7.967 435 1HE2 GLN 57 1HE2 GLN 57 -10.567 5.827 -8.898 436 2HE2 GLN 57 2HE2 GLN 57 -9.602 5.681 -10.324 437 H CYS 58 H CYS 58 -14.125 0.110 -7.356 438 HA CYS 58 HA CYS 58 -14.844 -1.685 -9.512 439 1HB CYS 58 1HB CYS 58 -13.630 -2.564 -6.939 440 2HB CYS 58 2HB CYS 58 -14.908 -3.552 -7.631 441 HG CYS 58 HG CYS 58 -12.085 -3.645 -8.469 442 H ARG 59 H ARG 59 -16.865 -2.971 -8.876 443 HA ARG 59 HA ARG 59 -18.732 -1.123 -7.684 444 1HB ARG 59 1HB ARG 59 -19.026 -3.780 -9.077 445 2HB ARG 59 2HB ARG 59 -20.390 -2.941 -8.356 446 1HG ARG 59 1HG ARG 59 -20.628 -1.708 -10.168 447 2HG ARG 59 2HG ARG 59 -18.977 -1.106 -10.001 448 1HD ARG 59 1HD ARG 59 -18.566 -3.617 -10.990 449 2HD ARG 59 2HD ARG 59 -20.068 -3.152 -11.787 450 HE ARG 59 HE ARG 59 -17.844 -1.266 -11.874 451 1HH1 ARG 59 1HH1 ARG 59 -19.763 -3.673 -13.536 452 2HH1 ARG 59 2HH1 ARG 59 -19.261 -3.156 -15.110 453 1HH2 ARG 59 1HH2 ARG 59 -17.189 -0.596 -13.940 454 2HH2 ARG 59 2HH2 ARG 59 -17.801 -1.412 -15.340 455 H VAL 60 H VAL 60 -20.614 -2.869 -6.637 456 HA VAL 60 HA VAL 60 -19.570 -3.284 -4.015 457 HB VAL 60 HB VAL 60 -21.859 -2.545 -4.302 458 1HG1 VAL 60 1HG1 VAL 60 -22.507 -3.505 -6.358 459 2HG1 VAL 60 2HG1 VAL 60 -23.568 -4.207 -5.137 460 3HG1 VAL 60 3HG1 VAL 60 -22.215 -5.143 -5.772 461 1HG2 VAL 60 1HG2 VAL 60 -23.001 -4.133 -2.821 462 2HG2 VAL 60 2HG2 VAL 60 -21.351 -3.815 -2.288 463 3HG2 VAL 60 3HG2 VAL 60 -21.735 -5.320 -3.123 464 H ASN 61 H ASN 61 -19.586 -5.229 -6.804 465 HA ASN 61 HA ASN 61 -18.771 -7.527 -5.203 466 1HB ASN 61 1HB ASN 61 -21.259 -7.681 -5.793 467 2HB ASN 61 2HB ASN 61 -20.730 -7.919 -7.456 468 1HD2 ASN 61 1HD2 ASN 61 -19.432 -9.764 -7.939 469 2HD2 ASN 61 2HD2 ASN 61 -19.533 -11.179 -6.953 470 H GLU 62 H GLU 62 -16.870 -6.265 -6.272 471 HA GLU 62 HA GLU 62 -16.058 -7.862 -8.572 472 1HB GLU 62 1HB GLU 62 -17.019 -5.640 -9.355 473 2HB GLU 62 2HB GLU 62 -15.640 -4.880 -8.577 474 1HG GLU 62 1HG GLU 62 -14.153 -5.666 -10.116 475 2HG GLU 62 2HG GLU 62 -15.133 -7.080 -10.502 476 H ILE 63 H ILE 63 -15.222 -5.639 -5.989 477 HA ILE 63 HA ILE 63 -12.422 -5.787 -6.174 478 HB ILE 63 HB ILE 63 -12.621 -5.301 -3.599 479 1HG1 ILE 63 1HG1 ILE 63 -15.361 -4.380 -4.412 480 2HG1 ILE 63 2HG1 ILE 63 -15.137 -5.997 -3.762 481 1HG2 ILE 63 1HG2 ILE 63 -13.810 -3.185 -5.317 482 2HG2 ILE 63 2HG2 ILE 63 -12.183 -3.766 -5.668 483 3HG2 ILE 63 3HG2 ILE 63 -12.551 -3.061 -4.095 484 1HD1 ILE 63 1HD1 ILE 63 -14.275 -3.489 -2.355 485 2HD1 ILE 63 2HD1 ILE 63 -14.309 -5.127 -1.703 486 3HD1 ILE 63 3HD1 ILE 63 -15.819 -4.300 -2.089 487 H GLU 64 H GLU 64 -14.748 -7.697 -4.317 488 HA GLU 64 HA GLU 64 -13.075 -9.249 -2.777 489 1HB GLU 64 1HB GLU 64 -15.584 -9.218 -2.712 490 2HB GLU 64 2HB GLU 64 -15.582 -10.243 -4.141 491 1HG GLU 64 1HG GLU 64 -14.119 -11.822 -2.727 492 2HG GLU 64 2HG GLU 64 -14.716 -10.892 -1.356 493 H THR 65 H THR 65 -14.132 -9.875 -6.119 494 HA THR 65 HA THR 65 -12.595 -12.296 -6.309 495 HB THR 65 HB THR 65 -13.574 -10.795 -8.716 496 HG1 THR 65 HG1 THR 65 -15.172 -11.299 -6.729 497 1HG2 THR 65 1HG2 THR 65 -12.771 -12.702 -9.586 498 2HG2 THR 65 2HG2 THR 65 -14.339 -13.335 -9.089 499 3HG2 THR 65 3HG2 THR 65 -12.922 -13.592 -8.071 500 H TYR 66 H TYR 66 -12.126 -8.930 -7.084 501 HA TYR 66 HA TYR 66 -9.670 -9.423 -8.545 502 1HB TYR 66 1HB TYR 66 -11.182 -6.912 -7.842 503 2HB TYR 66 2HB TYR 66 -9.609 -6.883 -8.631 504 HD1 TYR 66 HD1 TYR 66 -12.615 -9.052 -9.164 505 HD2 TYR 66 HD2 TYR 66 -9.910 -6.216 -10.824 506 HE1 TYR 66 HE1 TYR 66 -13.702 -9.306 -11.351 507 HE2 TYR 66 HE2 TYR 66 -10.994 -6.462 -13.017 508 HH TYR 66 HH TYR 66 -13.212 -8.968 -13.702 509 H MET 67 H MET 67 -10.179 -9.827 -5.502 510 HA MET 67 HA MET 67 -8.431 -8.023 -4.162 511 1HB MET 67 1HB MET 67 -10.175 -10.198 -3.493 512 2HB MET 67 2HB MET 67 -8.627 -10.448 -2.709 513 1HG MET 67 1HG MET 67 -9.456 -7.717 -2.415 514 2HG MET 67 2HG MET 67 -10.728 -8.811 -1.876 515 1HE MET 67 1HE MET 67 -8.946 -10.943 0.838 516 2HE MET 67 2HE MET 67 -8.811 -11.353 -0.872 517 3HE MET 67 3HE MET 67 -10.343 -10.767 -0.224 518 H ASP 68 H ASP 68 -7.002 -8.874 -6.352 519 HA ASP 68 HA ASP 68 -5.387 -11.107 -6.075 520 1HB ASP 68 1HB ASP 68 -5.415 -8.709 -7.694 521 2HB ASP 68 2HB ASP 68 -3.765 -9.158 -7.270 522 H GLY 69 H GLY 69 -4.937 -7.849 -4.774 523 1HA GLY 69 1HA GLY 69 -3.385 -8.780 -2.589 524 2HA GLY 69 2HA GLY 69 -2.338 -8.082 -3.815 525 H VAL 70 H VAL 70 -5.435 -7.313 -2.257 526 HA VAL 70 HA VAL 70 -4.798 -4.484 -2.355 527 HB VAL 70 HB VAL 70 -7.069 -4.103 -1.667 528 1HG1 VAL 70 1HG1 VAL 70 -7.714 -4.518 -3.759 529 2HG1 VAL 70 2HG1 VAL 70 -7.833 -6.240 -3.419 530 3HG1 VAL 70 3HG1 VAL 70 -6.305 -5.552 -3.961 531 1HG2 VAL 70 1HG2 VAL 70 -7.314 -5.806 0.034 532 2HG2 VAL 70 2HG2 VAL 70 -7.188 -7.077 -1.180 533 3HG2 VAL 70 3HG2 VAL 70 -8.587 -6.004 -1.172 534 H HIS 71 H HIS 71 -3.996 -3.345 -0.738 535 HA HIS 71 HA HIS 71 -3.565 -4.645 1.832 536 1HB HIS 71 1HB HIS 71 -2.461 -2.148 0.568 537 2HB HIS 71 2HB HIS 71 -2.156 -2.559 2.252 538 HD1 HIS 71 HD1 HIS 71 0.074 -3.554 2.514 539 HD2 HIS 71 HD2 HIS 71 -1.735 -4.672 -1.084 540 HE1 HIS 71 HE1 HIS 71 1.714 -5.099 1.351 541 HE2 HIS 71 HE2 HIS 71 0.628 -5.698 -0.843 542 H LEU 72 H LEU 72 -5.619 -2.247 0.450 543 HA LEU 72 HA LEU 72 -6.912 -1.849 3.017 544 1HB LEU 72 1HB LEU 72 -6.248 0.647 1.523 545 2HB LEU 72 2HB LEU 72 -6.670 0.448 3.208 546 HG LEU 72 HG LEU 72 -4.078 -0.697 2.300 547 1HD1 LEU 72 1HD1 LEU 72 -3.351 1.801 3.099 548 2HD1 LEU 72 2HD1 LEU 72 -4.777 2.135 2.118 549 3HD1 LEU 72 3HD1 LEU 72 -3.415 1.251 1.426 550 1HD2 LEU 72 1HD2 LEU 72 -4.862 0.818 4.772 551 2HD2 LEU 72 2HD2 LEU 72 -3.416 -0.163 4.526 552 3HD2 LEU 72 3HD2 LEU 72 -5.002 -0.931 4.605 553 H ILE 73 H ILE 73 -9.076 -1.055 2.794 554 HA ILE 73 HA ILE 73 -10.003 -0.647 0.052 555 HB ILE 73 HB ILE 73 -10.530 -2.856 0.104 556 1HG1 ILE 73 1HG1 ILE 73 -12.940 -1.661 1.465 557 2HG1 ILE 73 2HG1 ILE 73 -12.617 -1.641 -0.267 558 1HG2 ILE 73 1HG2 ILE 73 -10.946 -2.602 3.030 559 2HG2 ILE 73 2HG2 ILE 73 -9.699 -3.498 2.185 560 3HG2 ILE 73 3HG2 ILE 73 -11.370 -4.043 2.136 561 1HD1 ILE 73 1HD1 ILE 73 -13.485 -3.885 1.475 562 2HD1 ILE 73 2HD1 ILE 73 -12.510 -4.236 0.050 563 3HD1 ILE 73 3HD1 ILE 73 -14.055 -3.405 -0.123 564 H CYS 74 H CYS 74 -11.833 0.597 -0.184 565 HA CYS 74 HA CYS 74 -12.986 1.715 2.280 566 1HB CYS 74 1HB CYS 74 -11.646 3.111 0.067 567 2HB CYS 74 2HB CYS 74 -13.205 3.794 0.516 568 HG CYS 74 HG CYS 74 -10.895 4.603 1.891 569 H THR 75 H THR 75 -15.012 0.950 2.328 570 HA THR 75 HA THR 75 -16.726 1.476 0.021 571 HB THR 75 HB THR 75 -17.019 -1.143 1.456 572 HG1 THR 75 HG1 THR 75 -15.103 -1.597 0.681 573 1HG2 THR 75 1HG2 THR 75 -17.753 -1.764 -0.943 574 2HG2 THR 75 2HG2 THR 75 -17.915 -0.021 -1.159 575 3HG2 THR 75 3HG2 THR 75 -18.848 -0.846 0.090 576 H THR 76 H THR 76 -18.945 1.700 0.534 577 HA THR 76 HA THR 76 -19.384 2.616 3.250 578 HB THR 76 HB THR 76 -21.715 3.166 2.162 579 HG1 THR 76 HG1 THR 76 -21.664 2.255 0.226 580 1HG2 THR 76 1HG2 THR 76 -19.413 4.703 1.030 581 2HG2 THR 76 2HG2 THR 76 -19.809 4.772 2.747 582 3HG2 THR 76 3HG2 THR 76 -20.997 5.282 1.548 583 H ALA 77 H ALA 77 -19.225 0.391 4.114 584 HA ALA 77 HA ALA 77 -21.756 -0.634 4.770 585 1HB ALA 77 1HB ALA 77 -22.154 -2.327 3.353 586 2HB ALA 77 2HB ALA 77 -20.458 -2.806 3.299 587 3HB ALA 77 3HB ALA 77 -21.036 -1.488 2.279 588 H ARG 78 H ARG 78 -21.476 -2.925 5.826 589 HA ARG 78 HA ARG 78 -18.853 -3.031 7.156 590 1HB ARG 78 1HB ARG 78 -20.922 -2.111 8.498 591 2HB ARG 78 2HB ARG 78 -21.332 -3.815 8.633 592 1HG ARG 78 1HG ARG 78 -19.747 -4.198 10.154 593 2HG ARG 78 2HG ARG 78 -18.547 -3.251 9.275 594 1HD ARG 78 1HD ARG 78 -20.553 -1.522 10.385 595 2HD ARG 78 2HD ARG 78 -19.886 -2.557 11.642 596 HE ARG 78 HE ARG 78 -18.357 -0.685 9.974 597 1HH1 ARG 78 1HH1 ARG 78 -18.601 -2.701 12.818 598 2HH1 ARG 78 2HH1 ARG 78 -17.139 -2.096 13.516 599 1HH2 ARG 78 1HH2 ARG 78 -16.448 0.114 10.898 600 2HH2 ARG 78 2HH2 ARG 78 -15.912 -0.505 12.424 601 H VAL 79 H VAL 79 -19.090 -4.531 5.039 602 HA VAL 79 HA VAL 79 -20.272 -7.095 5.534 603 HB VAL 79 HB VAL 79 -18.171 -6.541 3.449 604 1HG1 VAL 79 1HG1 VAL 79 -19.531 -8.250 2.204 605 2HG1 VAL 79 2HG1 VAL 79 -20.426 -8.519 3.700 606 3HG1 VAL 79 3HG1 VAL 79 -18.696 -8.854 3.635 607 1HG2 VAL 79 1HG2 VAL 79 -20.223 -4.901 3.554 608 2HG2 VAL 79 2HG2 VAL 79 -21.073 -6.264 2.831 609 3HG2 VAL 79 3HG2 VAL 79 -19.677 -5.563 2.014 610 H ASP 80 H ASP 80 -18.418 -6.267 7.591 611 HA ASP 80 HA ASP 80 -16.093 -7.969 7.218 612 1HB ASP 80 1HB ASP 80 -16.812 -6.361 9.670 613 2HB ASP 80 2HB ASP 80 -15.236 -7.021 9.243 614 H ARG 81 H ARG 81 -19.193 -8.530 8.014 615 HA ARG 81 HA ARG 81 -19.068 -10.002 10.399 616 1HB ARG 81 1HB ARG 81 -21.147 -9.194 9.150 617 2HB ARG 81 2HB ARG 81 -20.950 -10.610 8.126 618 1HG ARG 81 1HG ARG 81 -21.116 -12.045 10.109 619 2HG ARG 81 2HG ARG 81 -21.369 -10.615 11.109 620 1HD ARG 81 1HD ARG 81 -23.507 -11.584 10.648 621 2HD ARG 81 2HD ARG 81 -23.375 -10.084 9.728 622 HE ARG 81 HE ARG 81 -23.674 -11.324 7.846 623 1HH1 ARG 81 1HH1 ARG 81 -22.342 -13.406 10.307 624 2HH1 ARG 81 2HH1 ARG 81 -22.380 -14.821 9.311 625 1HH2 ARG 81 1HH2 ARG 81 -23.733 -13.183 6.530 626 2HH2 ARG 81 2HH2 ARG 81 -23.169 -14.694 7.160 627 H SER 82 H SER 82 -18.371 -10.885 7.069 628 HA SER 82 HA SER 82 -16.961 -13.218 7.977 629 1HB SER 82 1HB SER 82 -19.494 -13.560 6.365 630 2HB SER 82 2HB SER 82 -18.287 -14.825 6.585 631 HG SER 82 HG SER 82 -19.340 -15.250 8.347 632 H PHE 83 H PHE 83 -16.003 -11.027 6.644 633 HA PHE 83 HA PHE 83 -15.582 -11.996 3.894 634 1HB PHE 83 1HB PHE 83 -16.567 -9.659 4.397 635 2HB PHE 83 2HB PHE 83 -14.925 -9.219 4.832 636 HD1 PHE 83 HD1 PHE 83 -17.148 -8.733 2.409 637 HD2 PHE 83 HD2 PHE 83 -13.248 -10.393 2.819 638 HE1 PHE 83 HE1 PHE 83 -16.671 -8.191 0.061 639 HE2 PHE 83 HE2 PHE 83 -12.767 -9.854 0.475 640 HZ PHE 83 HZ PHE 83 -14.479 -8.739 -0.905 641 H GLY 84 H GLY 84 -14.161 -13.336 5.753 642 1HA GLY 84 1HA GLY 84 -12.031 -13.989 6.301 643 2HA GLY 84 2HA GLY 84 -11.500 -13.034 4.925 644 H ASP 85 H ASP 85 -10.805 -10.899 5.247 645 HA ASP 85 HA ASP 85 -10.836 -9.680 7.833 646 1HB ASP 85 1HB ASP 85 -8.889 -11.544 7.637 647 2HB ASP 85 2HB ASP 85 -8.040 -10.147 6.983 648 H ILE 86 H ILE 86 -11.402 -9.156 4.946 649 HA ILE 86 HA ILE 86 -9.567 -7.432 3.793 650 HB ILE 86 HB ILE 86 -11.587 -8.350 2.656 651 1HG1 ILE 86 1HG1 ILE 86 -12.113 -5.634 2.015 652 2HG1 ILE 86 2HG1 ILE 86 -10.400 -5.768 2.387 653 1HG2 ILE 86 1HG2 ILE 86 -13.691 -7.825 3.239 654 2HG2 ILE 86 2HG2 ILE 86 -13.294 -6.134 3.496 655 3HG2 ILE 86 3HG2 ILE 86 -12.976 -7.316 4.765 656 1HD1 ILE 86 1HD1 ILE 86 -11.924 -6.751 0.095 657 2HD1 ILE 86 2HD1 ILE 86 -10.763 -7.902 0.757 658 3HD1 ILE 86 3HD1 ILE 86 -10.222 -6.308 0.230 659 HA PRO 87 HA PRO 87 -9.897 -4.186 6.962 660 1HB PRO 87 1HB PRO 87 -7.841 -2.699 5.975 661 2HB PRO 87 2HB PRO 87 -7.601 -4.113 7.007 662 1HG PRO 87 1HG PRO 87 -7.456 -3.908 4.016 663 2HG PRO 87 2HG PRO 87 -6.344 -4.725 5.133 664 1HD PRO 87 1HD PRO 87 -8.193 -6.097 3.756 665 2HD PRO 87 2HD PRO 87 -7.766 -6.530 5.420 666 H LEU 88 H LEU 88 -11.989 -3.595 5.877 667 HA LEU 88 HA LEU 88 -11.665 -1.444 3.918 668 1HB LEU 88 1HB LEU 88 -13.946 -1.738 3.296 669 2HB LEU 88 2HB LEU 88 -13.155 -3.299 3.304 670 HG LEU 88 HG LEU 88 -14.544 -2.626 5.810 671 1HD1 LEU 88 1HD1 LEU 88 -16.291 -3.480 3.554 672 2HD1 LEU 88 2HD1 LEU 88 -15.932 -1.762 3.746 673 3HD1 LEU 88 3HD1 LEU 88 -16.708 -2.651 5.056 674 1HD2 LEU 88 1HD2 LEU 88 -14.746 -4.872 5.954 675 2HD2 LEU 88 2HD2 LEU 88 -13.448 -4.840 4.766 676 3HD2 LEU 88 3HD2 LEU 88 -15.115 -5.057 4.242 677 H VAL 89 H VAL 89 -13.009 0.431 4.025 678 HA VAL 89 HA VAL 89 -13.908 1.182 6.711 679 HB VAL 89 HB VAL 89 -12.016 2.903 5.099 680 1HG1 VAL 89 1HG1 VAL 89 -13.605 4.185 6.439 681 2HG1 VAL 89 2HG1 VAL 89 -11.970 4.322 7.085 682 3HG1 VAL 89 3HG1 VAL 89 -13.143 3.267 7.872 683 1HG2 VAL 89 1HG2 VAL 89 -11.558 0.905 7.227 684 2HG2 VAL 89 2HG2 VAL 89 -10.673 2.425 7.361 685 3HG2 VAL 89 3HG2 VAL 89 -10.502 1.431 5.915 686 H HIS 90 H HIS 90 -15.365 2.979 6.741 687 HA HIS 90 HA HIS 90 -16.885 3.209 4.276 688 1HB HIS 90 1HB HIS 90 -17.668 4.685 6.751 689 2HB HIS 90 2HB HIS 90 -18.679 3.885 5.558 690 HD1 HIS 90 HD1 HIS 90 -17.450 3.512 8.925 691 HD2 HIS 90 HD2 HIS 90 -18.444 0.909 5.807 692 HE1 HIS 90 HE1 HIS 90 -17.802 1.235 9.990 693 HE2 HIS 90 HE2 HIS 90 -18.279 -0.327 8.070 694 H GLY 91 H GLY 91 -17.310 5.095 3.178 695 1HA GLY 91 1HA GLY 91 -15.587 7.385 3.897 696 2HA GLY 91 2HA GLY 91 -15.869 6.879 2.239 697 H MET 92 H MET 92 -18.385 6.941 4.670 698 HA MET 92 HA MET 92 -20.194 8.357 3.107 699 1HB MET 92 1HB MET 92 -20.612 6.956 5.212 700 2HB MET 92 2HB MET 92 -20.229 8.414 6.114 701 1HG MET 92 1HG MET 92 -22.233 9.288 5.747 702 2HG MET 92 2HG MET 92 -22.169 8.915 4.025 703 1HE MET 92 1HE MET 92 -25.450 7.912 5.809 704 2HE MET 92 2HE MET 92 -24.237 9.092 6.301 705 3HE MET 92 3HE MET 92 -24.479 7.628 7.254 706 HA PRO 93 HA PRO 93 -18.953 12.361 5.449 707 1HB PRO 93 1HB PRO 93 -16.673 12.427 6.867 708 2HB PRO 93 2HB PRO 93 -18.182 11.818 7.558 709 1HG PRO 93 1HG PRO 93 -15.865 10.291 6.432 710 2HG PRO 93 2HG PRO 93 -16.797 9.980 7.908 711 1HD PRO 93 1HD PRO 93 -17.210 8.658 5.558 712 2HD PRO 93 2HD PRO 93 -18.482 8.920 6.766 713 H PHE 94 H PHE 94 -16.464 10.394 3.976 714 HA PHE 94 HA PHE 94 -14.780 12.527 3.145 715 1HB PHE 94 1HB PHE 94 -14.503 9.823 3.170 716 2HB PHE 94 2HB PHE 94 -14.841 10.088 1.463 717 HD1 PHE 94 HD1 PHE 94 -12.264 8.993 2.603 718 HD2 PHE 94 HD2 PHE 94 -13.490 12.951 1.641 719 HE1 PHE 94 HE1 PHE 94 -9.914 9.630 2.245 720 HE2 PHE 94 HE2 PHE 94 -11.145 13.597 1.282 721 HZ PHE 94 HZ PHE 94 -9.352 11.935 1.583 722 H VAL 95 H VAL 95 -17.504 10.844 1.687 723 HA VAL 95 HA VAL 95 -17.305 12.211 -0.826 724 HB VAL 95 HB VAL 95 -19.766 10.798 0.174 725 1HG1 VAL 95 1HG1 VAL 95 -18.786 11.842 -2.379 726 2HG1 VAL 95 2HG1 VAL 95 -20.433 11.507 -1.845 727 3HG1 VAL 95 3HG1 VAL 95 -19.425 10.200 -2.470 728 1HG2 VAL 95 1HG2 VAL 95 -18.042 9.127 -1.435 729 2HG2 VAL 95 2HG2 VAL 95 -18.783 8.798 0.130 730 3HG2 VAL 95 3HG2 VAL 95 -17.232 9.630 0.048 731 H SER 96 H SER 96 -18.682 12.950 2.229 732 HA SER 96 HA SER 96 -20.881 14.496 1.610 733 1HB SER 96 1HB SER 96 -18.892 14.499 3.823 734 2HB SER 96 2HB SER 96 -19.934 15.910 3.675 735 HG SER 96 HG SER 96 -21.600 14.004 3.445 736 H GLY 97 H GLY 97 -17.466 15.330 1.419 737 1HA GLY 97 1HA GLY 97 -16.492 16.968 0.068 738 2HA GLY 97 2HA GLY 97 -18.099 17.523 -0.370 739 H VAL 98 H VAL 98 -18.411 17.458 2.797 740 HA VAL 98 HA VAL 98 -17.260 20.137 3.198 741 HB VAL 98 HB VAL 98 -19.729 20.168 2.973 742 1HG1 VAL 98 1HG1 VAL 98 -20.791 19.263 5.278 743 2HG1 VAL 98 2HG1 VAL 98 -19.512 18.073 5.033 744 3HG1 VAL 98 3HG1 VAL 98 -20.733 18.325 3.785 745 1HG2 VAL 98 1HG2 VAL 98 -20.150 21.280 5.265 746 2HG2 VAL 98 2HG2 VAL 98 -18.933 21.975 4.195 747 3HG2 VAL 98 3HG2 VAL 98 -18.440 20.969 5.555 748 H GLY 99 H GLY 99 -17.304 16.934 4.243 749 1HA GLY 99 1HA GLY 99 -16.491 17.652 6.973 750 2HA GLY 99 2HA GLY 99 -16.988 16.052 6.446 751 H ILE 100 H ILE 100 -15.109 16.884 3.991 752 HA ILE 100 HA ILE 100 -13.012 15.194 4.598 753 HB ILE 100 HB ILE 100 -13.000 17.556 2.715 754 1HG1 ILE 100 1HG1 ILE 100 -13.084 14.745 1.776 755 2HG1 ILE 100 2HG1 ILE 100 -14.547 15.363 2.538 756 1HG2 ILE 100 1HG2 ILE 100 -10.780 17.215 2.674 757 2HG2 ILE 100 2HG2 ILE 100 -11.185 15.797 1.709 758 3HG2 ILE 100 3HG2 ILE 100 -10.908 15.634 3.442 759 1HD1 ILE 100 1HD1 ILE 100 -13.958 17.378 0.835 760 2HD1 ILE 100 2HD1 ILE 100 -15.036 16.033 0.464 761 3HD1 ILE 100 3HD1 ILE 100 -13.355 15.986 -0.063 762 H GLU 101 H GLU 101 -13.263 18.676 5.151 763 HA GLU 101 HA GLU 101 -10.702 19.349 5.804 764 1HB GLU 101 1HB GLU 101 -13.186 20.525 6.104 765 2HB GLU 101 2HB GLU 101 -12.586 20.423 7.753 766 1HG GLU 101 1HG GLU 101 -10.528 21.370 5.981 767 2HG GLU 101 2HG GLU 101 -11.982 22.355 5.839 768 H ALA 102 H ALA 102 -13.094 17.976 8.065 769 HA ALA 102 HA ALA 102 -11.123 17.675 10.146 770 1HB ALA 102 1HB ALA 102 -13.493 18.176 10.636 771 2HB ALA 102 2HB ALA 102 -12.922 16.721 11.451 772 3HB ALA 102 3HB ALA 102 -13.935 16.586 10.013 773 H LEU 103 H LEU 103 -12.850 15.566 7.897 774 HA LEU 103 HA LEU 103 -11.959 13.100 8.837 775 1HB LEU 103 1HB LEU 103 -13.738 13.467 7.129 776 2HB LEU 103 2HB LEU 103 -12.489 13.855 5.961 777 HG LEU 103 HG LEU 103 -11.554 11.538 6.387 778 1HD1 LEU 103 1HD1 LEU 103 -14.278 11.015 7.542 779 2HD1 LEU 103 2HD1 LEU 103 -12.833 11.243 8.528 780 3HD1 LEU 103 3HD1 LEU 103 -12.926 9.891 7.398 781 1HD2 LEU 103 1HD2 LEU 103 -14.236 11.077 5.301 782 2HD2 LEU 103 2HD2 LEU 103 -12.652 10.829 4.569 783 3HD2 LEU 103 3HD2 LEU 103 -13.370 12.439 4.587 784 H GLN 104 H GLN 104 -10.557 15.144 6.285 785 HA GLN 104 HA GLN 104 -8.408 13.609 5.541 786 1HB GLN 104 1HB GLN 104 -9.204 15.968 4.738 787 2HB GLN 104 2HB GLN 104 -8.008 16.547 5.890 788 1HG GLN 104 1HG GLN 104 -6.241 15.485 4.728 789 2HG GLN 104 2HG GLN 104 -7.363 14.565 3.727 790 1HE2 GLN 104 1HE2 GLN 104 -8.730 15.808 2.256 791 2HE2 GLN 104 2HE2 GLN 104 -8.086 17.241 1.537 792 H ASN 105 H ASN 105 -8.512 15.957 8.206 793 HA ASN 105 HA ASN 105 -5.890 15.711 9.077 794 1HB ASN 105 1HB ASN 105 -8.463 16.407 10.457 795 2HB ASN 105 2HB ASN 105 -6.983 16.244 11.397 796 1HD2 ASN 105 1HD2 ASN 105 -7.819 18.580 11.696 797 2HD2 ASN 105 2HD2 ASN 105 -7.092 19.755 10.658 798 H LYS 106 H LYS 106 -8.750 13.963 10.295 799 HA LYS 106 HA LYS 106 -7.306 12.283 12.030 800 1HB LYS 106 1HB LYS 106 -10.060 12.547 11.136 801 2HB LYS 106 2HB LYS 106 -9.601 10.864 11.362 802 1HG LYS 106 1HG LYS 106 -10.571 11.776 13.388 803 2HG LYS 106 2HG LYS 106 -8.875 11.358 13.638 804 1HD LYS 106 1HD LYS 106 -8.370 13.453 14.193 805 2HD LYS 106 2HD LYS 106 -9.125 14.080 12.726 806 1HE LYS 106 1HE LYS 106 -11.093 14.534 13.770 807 2HE LYS 106 2HE LYS 106 -10.931 13.189 14.898 808 1HZ LYS 106 1HZ LYS 106 -10.661 15.081 16.199 809 2HZ LYS 106 2HZ LYS 106 -9.704 15.872 15.050 810 3HZ LYS 106 3HZ LYS 106 -9.071 14.570 15.923 811 H ILE 107 H ILE 107 -8.553 11.662 8.732 812 HA ILE 107 HA ILE 107 -7.659 8.995 8.607 813 HB ILE 107 HB ILE 107 -7.834 9.186 6.157 814 1HG1 ILE 107 1HG1 ILE 107 -8.979 11.854 6.097 815 2HG1 ILE 107 2HG1 ILE 107 -7.294 11.880 6.593 816 1HG2 ILE 107 1HG2 ILE 107 -10.299 10.326 6.380 817 2HG2 ILE 107 2HG2 ILE 107 -9.956 9.857 8.045 818 3HG2 ILE 107 3HG2 ILE 107 -9.914 8.649 6.760 819 1HD1 ILE 107 1HD1 ILE 107 -7.594 10.135 4.357 820 2HD1 ILE 107 2HD1 ILE 107 -6.632 11.605 4.510 821 3HD1 ILE 107 3HD1 ILE 107 -8.317 11.703 3.999 822 H LEU 108 H LEU 108 -6.022 12.041 7.977 823 HA LEU 108 HA LEU 108 -3.776 10.942 6.663 824 1HB LEU 108 1HB LEU 108 -4.508 13.526 7.867 825 2HB LEU 108 2HB LEU 108 -2.792 13.180 7.876 826 HG LEU 108 HG LEU 108 -4.513 13.122 5.396 827 1HD1 LEU 108 1HD1 LEU 108 -2.558 15.226 5.474 828 2HD1 LEU 108 2HD1 LEU 108 -3.654 15.358 6.850 829 3HD1 LEU 108 3HD1 LEU 108 -4.298 15.323 5.209 830 1HD2 LEU 108 1HD2 LEU 108 -1.634 13.512 5.139 831 2HD2 LEU 108 2HD2 LEU 108 -2.713 12.418 4.274 832 3HD2 LEU 108 3HD2 LEU 108 -2.066 11.956 5.848 833 H THR 109 H THR 109 -4.359 11.827 10.052 834 HA THR 109 HA THR 109 -1.858 11.151 11.065 835 HB THR 109 HB THR 109 -3.944 10.482 12.946 836 HG1 THR 109 HG1 THR 109 -5.363 11.710 11.849 837 1HG2 THR 109 1HG2 THR 109 -1.758 11.366 13.586 838 2HG2 THR 109 2HG2 THR 109 -3.079 12.364 14.192 839 3HG2 THR 109 3HG2 THR 109 -2.148 12.890 12.789 840 H ILE 110 H ILE 110 -4.738 9.117 10.610 841 HA ILE 110 HA ILE 110 -3.708 6.802 11.833 842 HB ILE 110 HB ILE 110 -5.670 6.834 9.539 843 1HG1 ILE 110 1HG1 ILE 110 -6.469 8.376 11.230 844 2HG1 ILE 110 2HG1 ILE 110 -7.428 6.906 11.296 845 1HG2 ILE 110 1HG2 ILE 110 -5.938 4.655 9.902 846 2HG2 ILE 110 2HG2 ILE 110 -6.100 4.896 11.643 847 3HG2 ILE 110 3HG2 ILE 110 -4.501 4.729 10.920 848 1HD1 ILE 110 1HD1 ILE 110 -5.096 7.003 13.087 849 2HD1 ILE 110 2HD1 ILE 110 -6.723 6.388 13.365 850 3HD1 ILE 110 3HD1 ILE 110 -6.409 8.121 13.450 851 H LEU 111 H LEU 111 -3.785 7.726 8.384 852 HA LEU 111 HA LEU 111 -2.492 5.477 7.371 853 1HB LEU 111 1HB LEU 111 -2.216 8.297 6.330 854 2HB LEU 111 2HB LEU 111 -1.947 6.819 5.428 855 HG LEU 111 HG LEU 111 -4.639 7.279 6.623 856 1HD1 LEU 111 1HD1 LEU 111 -3.384 9.083 4.774 857 2HD1 LEU 111 2HD1 LEU 111 -4.987 9.164 5.502 858 3HD1 LEU 111 3HD1 LEU 111 -4.745 8.267 4.004 859 1HD2 LEU 111 1HD2 LEU 111 -4.395 5.186 5.596 860 2HD2 LEU 111 2HD2 LEU 111 -3.515 5.865 4.226 861 3HD2 LEU 111 3HD2 LEU 111 -5.241 6.176 4.407 862 H GLN 112 H GLN 112 -1.133 8.474 8.668 863 HA GLN 112 HA GLN 112 1.578 7.679 8.126 864 1HB GLN 112 1HB GLN 112 2.214 9.728 9.231 865 2HB GLN 112 2HB GLN 112 0.859 10.054 8.159 866 1HG GLN 112 1HG GLN 112 -0.664 10.095 10.014 867 2HG GLN 112 2HG GLN 112 0.614 9.607 11.124 868 1HE2 GLN 112 1HE2 GLN 112 -0.910 12.196 9.515 869 2HE2 GLN 112 2HE2 GLN 112 0.089 13.467 10.120 870 H GLY 113 H GLY 113 -0.663 7.369 10.763 871 1HA GLY 113 1HA GLY 113 1.013 7.051 12.942 872 2HA GLY 113 2HA GLY 113 -0.514 6.208 12.740
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