NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
545637 | 1ud7 | 4493 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H MET 1 2H MET 1 -13.173 -2.992 3.344 2 3H MET 1 3H MET 1 -14.301 -1.900 2.713 3 1H MET 1 1H MET 1 -12.646 -1.551 2.633 4 HA MET 1 HA MET 1 -14.076 -3.715 1.205 5 1HB MET 1 2HB MET 1 -13.478 -2.499 -0.811 6 2HB MET 1 1HB MET 1 -14.376 -1.446 0.273 7 1HG MET 1 2HG MET 1 -11.974 -0.750 1.066 8 2HG MET 1 1HG MET 1 -11.515 -1.357 -0.524 9 1HE MET 1 1HE MET 1 -11.286 1.579 -2.193 10 2HE MET 1 2HE MET 1 -10.486 0.585 -0.975 11 3HE MET 1 3HE MET 1 -11.076 2.192 -0.552 12 H GLN 2 H GLN 2 -12.802 -5.091 -0.073 13 HA GLN 2 HA GLN 2 -10.054 -5.362 0.903 14 1HB GLN 2 2HB GLN 2 -10.262 -7.637 -0.292 15 2HB GLN 2 1HB GLN 2 -11.162 -7.393 1.198 16 1HG GLN 2 2HG GLN 2 -13.198 -7.153 0.055 17 2HG GLN 2 1HG GLN 2 -12.392 -6.949 -1.500 18 1HE2 GLN 2 1HE2 GLN 2 -14.289 -8.979 0.008 19 2HE2 GLN 2 2HE2 GLN 2 -13.704 -10.499 -0.567 20 H VAL 3 H VAL 3 -8.316 -5.193 -0.365 21 HA VAL 3 HA VAL 3 -8.758 -4.662 -3.234 22 HB VAL 3 HB VAL 3 -6.668 -3.270 -3.122 23 1HG1 VAL 3 1HG1 VAL 3 -9.004 -2.371 -1.438 24 2HG1 VAL 3 2HG1 VAL 3 -8.873 -2.247 -3.192 25 3HG1 VAL 3 3HG1 VAL 3 -7.790 -1.313 -2.159 26 1HG2 VAL 3 1HG2 VAL 3 -6.113 -2.383 -0.829 27 2HG2 VAL 3 2HG2 VAL 3 -5.635 -4.053 -1.134 28 3HG2 VAL 3 3HG2 VAL 3 -7.070 -3.709 -0.170 29 H PHE 4 H PHE 4 -6.846 -5.110 -4.619 30 HA PHE 4 HA PHE 4 -5.452 -7.526 -3.675 31 1HB PHE 4 2HB PHE 4 -5.799 -6.830 -6.576 32 2HB PHE 4 1HB PHE 4 -5.530 -8.407 -5.841 33 HD1 PHE 4 HD1 PHE 4 -7.587 -8.482 -3.759 34 HD2 PHE 4 HD2 PHE 4 -7.778 -7.019 -7.761 35 HE1 PHE 4 HE1 PHE 4 -10.013 -8.915 -3.796 36 HE2 PHE 4 HE2 PHE 4 -10.206 -7.448 -7.805 37 HZ PHE 4 HZ PHE 4 -11.325 -8.396 -5.821 38 H LEU 5 H LEU 5 -3.309 -7.411 -3.444 39 HA LEU 5 HA LEU 5 -1.904 -5.135 -4.659 40 1HB LEU 5 2HB LEU 5 -1.965 -5.744 -2.078 41 2HB LEU 5 1HB LEU 5 -0.671 -6.831 -2.543 42 HG LEU 5 HG LEU 5 0.160 -4.504 -3.694 43 1HD1 LEU 5 1HD1 LEU 5 -0.107 -2.740 -2.025 44 2HD1 LEU 5 2HD1 LEU 5 -1.184 -3.782 -1.095 45 3HD1 LEU 5 3HD1 LEU 5 -1.661 -3.229 -2.700 46 1HD2 LEU 5 1HD2 LEU 5 0.889 -6.195 -1.519 47 2HD2 LEU 5 2HD2 LEU 5 1.167 -4.516 -1.056 48 3HD2 LEU 5 3HD2 LEU 5 1.917 -5.164 -2.515 49 H LYS 6 H LYS 6 -0.320 -5.450 -6.111 50 HA LYS 6 HA LYS 6 0.379 -8.231 -6.756 51 1HB LYS 6 2HB LYS 6 -0.396 -6.031 -8.369 52 2HB LYS 6 1HB LYS 6 1.284 -6.386 -8.749 53 1HG LYS 6 2HG LYS 6 0.764 -8.281 -9.811 54 2HG LYS 6 1HG LYS 6 -0.403 -8.762 -8.578 55 1HD LYS 6 2HD LYS 6 -1.533 -6.553 -9.885 56 2HD LYS 6 1HD LYS 6 -0.861 -7.577 -11.156 57 1HE LYS 6 2HE LYS 6 -2.369 -9.208 -10.812 58 2HE LYS 6 1HE LYS 6 -2.311 -9.027 -9.059 59 1HZ LYS 6 1HZ LYS 6 -3.585 -6.868 -10.534 60 2HZ LYS 6 2HZ LYS 6 -4.021 -7.580 -9.063 61 3HZ LYS 6 3HZ LYS 6 -4.411 -8.345 -10.520 62 H THR 7 H THR 7 2.470 -8.911 -6.809 63 HA THR 7 HA THR 7 4.461 -7.049 -5.716 64 HB THR 7 HB THR 7 5.619 -8.862 -4.812 65 HG1 THR 7 HG1 THR 7 4.585 -11.082 -5.635 66 1HG2 THR 7 1HG2 THR 7 2.661 -9.381 -4.736 67 2HG2 THR 7 2HG2 THR 7 3.693 -8.676 -3.492 68 3HG2 THR 7 3HG2 THR 7 3.796 -10.400 -3.850 69 H LEU 8 H LEU 8 6.807 -7.927 -6.411 70 HA LEU 8 HA LEU 8 7.018 -7.285 -9.183 71 1HB LEU 8 2HB LEU 8 9.214 -8.398 -7.452 72 2HB LEU 8 1HB LEU 8 9.372 -7.380 -8.871 73 HG LEU 8 HG LEU 8 7.964 -6.344 -6.438 74 1HD1 LEU 8 1HD1 LEU 8 10.820 -6.964 -6.706 75 2HD1 LEU 8 2HD1 LEU 8 9.842 -6.698 -5.262 76 3HD1 LEU 8 3HD1 LEU 8 10.458 -5.321 -6.176 77 1HD2 LEU 8 1HD2 LEU 8 9.610 -4.459 -7.765 78 2HD2 LEU 8 2HD2 LEU 8 7.850 -4.514 -7.683 79 3HD2 LEU 8 3HD2 LEU 8 8.698 -5.337 -8.992 80 H THR 9 H THR 9 6.334 -10.147 -7.600 81 HA THR 9 HA THR 9 7.588 -11.826 -9.649 82 HB THR 9 HB THR 9 7.099 -13.722 -8.256 83 HG1 THR 9 HG1 THR 9 6.023 -12.344 -6.131 84 1HG2 THR 9 1HG2 THR 9 8.344 -11.343 -6.970 85 2HG2 THR 9 2HG2 THR 9 9.068 -12.881 -7.436 86 3HG2 THR 9 3HG2 THR 9 8.071 -12.780 -5.985 87 H GLY 10 H GLY 10 4.550 -10.516 -8.710 88 1HA GLY 10 2HA GLY 10 2.724 -10.471 -10.250 89 2HA GLY 10 1HA GLY 10 3.278 -12.006 -10.901 90 H LYS 11 H LYS 11 3.028 -11.402 -7.466 91 HA LYS 11 HA LYS 11 1.002 -13.504 -7.298 92 1HB LYS 11 2HB LYS 11 3.157 -13.527 -5.925 93 2HB LYS 11 1HB LYS 11 2.451 -12.217 -4.989 94 1HG LYS 11 2HG LYS 11 0.433 -13.972 -4.873 95 2HG LYS 11 1HG LYS 11 1.789 -15.090 -5.032 96 1HD LYS 11 2HD LYS 11 1.733 -12.865 -3.008 97 2HD LYS 11 1HD LYS 11 1.120 -14.485 -2.669 98 1HE LYS 11 2HE LYS 11 3.847 -14.258 -3.817 99 2HE LYS 11 1HE LYS 11 3.627 -13.763 -2.139 100 1HZ LYS 11 1HZ LYS 11 3.879 -16.351 -3.149 101 2HZ LYS 11 2HZ LYS 11 2.308 -16.206 -2.542 102 3HZ LYS 11 3HZ LYS 11 3.632 -15.880 -1.543 103 H THR 12 H THR 12 -1.036 -13.164 -6.607 104 HA THR 12 HA THR 12 -1.811 -10.387 -6.065 105 HB THR 12 HB THR 12 -3.663 -12.692 -6.677 106 HG1 THR 12 HG1 THR 12 -3.312 -12.356 -8.762 107 1HG2 THR 12 1HG2 THR 12 -4.212 -9.825 -7.292 108 2HG2 THR 12 2HG2 THR 12 -4.380 -10.387 -5.629 109 3HG2 THR 12 3HG2 THR 12 -5.335 -11.130 -6.912 110 H VAL 13 H VAL 13 -2.279 -9.790 -4.060 111 HA VAL 13 HA VAL 13 -3.057 -11.869 -2.119 112 HB VAL 13 HB VAL 13 -2.125 -10.329 -0.368 113 1HG1 VAL 13 1HG1 VAL 13 -0.708 -12.086 -0.713 114 2HG1 VAL 13 2HG1 VAL 13 0.341 -10.761 -1.218 115 3HG1 VAL 13 3HG1 VAL 13 -0.502 -11.728 -2.427 116 1HG2 VAL 13 1HG2 VAL 13 -0.410 -8.683 -1.219 117 2HG2 VAL 13 2HG2 VAL 13 -2.098 -8.233 -1.467 118 3HG2 VAL 13 3HG2 VAL 13 -1.148 -8.869 -2.810 119 H THR 14 H THR 14 -4.651 -11.351 -0.578 120 HA THR 14 HA THR 14 -6.385 -9.113 -1.384 121 HB THR 14 HB THR 14 -8.145 -10.420 -0.041 122 HG1 THR 14 HG1 THR 14 -7.518 -12.791 -0.218 123 1HG2 THR 14 1HG2 THR 14 -8.451 -10.360 -2.357 124 2HG2 THR 14 2HG2 THR 14 -8.414 -12.085 -1.991 125 3HG2 THR 14 3HG2 THR 14 -6.990 -11.296 -2.669 126 H ILE 15 H ILE 15 -5.870 -7.406 -0.146 127 HA ILE 15 HA ILE 15 -5.627 -7.818 2.760 128 HB ILE 15 HB ILE 15 -4.750 -5.326 1.330 129 1HG1 ILE 15 2HG1 ILE 15 -2.912 -7.637 1.943 130 2HG1 ILE 15 1HG1 ILE 15 -3.691 -7.457 0.372 131 1HG2 ILE 15 1HG2 ILE 15 -3.126 -5.366 3.311 132 2HG2 ILE 15 2HG2 ILE 15 -4.189 -6.601 3.985 133 3HG2 ILE 15 3HG2 ILE 15 -4.817 -4.990 3.640 134 1HD1 ILE 15 1HD1 ILE 15 -2.574 -4.979 0.834 135 2HD1 ILE 15 2HD1 ILE 15 -1.929 -6.247 -0.209 136 3HD1 ILE 15 3HD1 ILE 15 -1.375 -6.112 1.460 137 H GLU 16 H GLU 16 -6.701 -6.382 4.177 138 HA GLU 16 HA GLU 16 -9.112 -5.202 3.002 139 1HB GLU 16 2HB GLU 16 -8.463 -5.883 5.876 140 2HB GLU 16 1HB GLU 16 -9.992 -5.220 5.311 141 1HG GLU 16 2HG GLU 16 -10.231 -7.244 3.860 142 2HG GLU 16 1HG GLU 16 -8.817 -7.912 4.674 143 H VAL 17 H VAL 17 -9.299 -3.082 2.796 144 HA VAL 17 HA VAL 17 -7.906 -1.314 4.670 145 HB VAL 17 HB VAL 17 -7.006 0.092 2.962 146 1HG1 VAL 17 1HG1 VAL 17 -5.947 -2.252 3.554 147 2HG1 VAL 17 2HG1 VAL 17 -5.240 -1.209 2.321 148 3HG1 VAL 17 3HG1 VAL 17 -6.265 -2.563 1.848 149 1HG2 VAL 17 1HG2 VAL 17 -8.203 0.269 1.081 150 2HG2 VAL 17 2HG2 VAL 17 -8.894 -1.343 1.265 151 3HG2 VAL 17 3HG2 VAL 17 -7.304 -1.143 0.528 152 H GLU 18 H GLU 18 -8.670 0.971 4.461 153 HA GLU 18 HA GLU 18 -11.440 1.114 3.480 154 1HB GLU 18 2HB GLU 18 -10.476 2.356 6.058 155 2HB GLU 18 1HB GLU 18 -12.124 2.320 5.449 156 1HG GLU 18 2HG GLU 18 -12.506 0.367 6.412 157 2HG GLU 18 1HG GLU 18 -11.082 -0.346 5.657 158 HA PRO 19 HA PRO 19 -10.412 4.809 1.340 159 1HB PRO 19 2HB PRO 19 -12.844 6.003 2.573 160 2HB PRO 19 1HB PRO 19 -12.392 5.875 0.870 161 1HG PRO 19 2HG PRO 19 -14.268 4.291 1.905 162 2HG PRO 19 1HG PRO 19 -13.112 3.676 0.709 163 1HD PRO 19 2HD PRO 19 -13.183 3.264 3.667 164 2HD PRO 19 1HD PRO 19 -12.714 2.134 2.380 165 H SER 20 H SER 20 -11.243 4.977 4.741 166 HA SER 20 HA SER 20 -10.103 7.616 5.076 167 1HB SER 20 2HB SER 20 -10.479 6.901 7.590 168 2HB SER 20 1HB SER 20 -11.846 7.345 6.569 169 HG SER 20 HG SER 20 -12.326 5.419 7.588 170 H ASP 21 H ASP 21 -8.697 4.783 4.494 171 HA ASP 21 HA ASP 21 -6.697 4.772 6.578 172 1HB ASP 21 2HB ASP 21 -7.095 3.160 4.062 173 2HB ASP 21 1HB ASP 21 -5.643 3.005 5.046 174 H THR 22 H THR 22 -4.551 5.374 6.385 175 HA THR 22 HA THR 22 -3.999 7.257 4.216 176 HB THR 22 HB THR 22 -2.029 7.912 5.637 177 HG1 THR 22 HG1 THR 22 -1.629 6.307 7.027 178 1HG2 THR 22 1HG2 THR 22 -3.795 8.615 7.611 179 2HG2 THR 22 2HG2 THR 22 -4.867 8.292 6.248 180 3HG2 THR 22 3HG2 THR 22 -3.573 9.480 6.090 181 H VAL 23 H VAL 23 -2.215 7.108 2.888 182 HA VAL 23 HA VAL 23 -1.400 4.724 1.896 183 HB VAL 23 HB VAL 23 0.259 7.239 2.094 184 1HG1 VAL 23 1HG1 VAL 23 1.079 5.889 -0.158 185 2HG1 VAL 23 2HG1 VAL 23 0.901 4.603 1.036 186 3HG1 VAL 23 3HG1 VAL 23 1.955 5.977 1.371 187 1HG2 VAL 23 1HG2 VAL 23 -0.546 6.976 -0.497 188 2HG2 VAL 23 2HG2 VAL 23 -1.352 7.972 0.715 189 3HG2 VAL 23 3HG2 VAL 23 -1.940 6.344 0.378 190 H GLU 24 H GLU 24 0.150 6.485 4.558 191 HA GLU 24 HA GLU 24 2.367 4.890 4.964 192 1HB GLU 24 2HB GLU 24 0.975 6.907 6.410 193 2HB GLU 24 1HB GLU 24 1.295 5.582 7.521 194 1HG GLU 24 2HG GLU 24 3.701 5.695 6.581 195 2HG GLU 24 1HG GLU 24 3.226 7.298 6.023 196 H ASN 25 H ASN 25 -0.797 4.550 6.579 197 HA ASN 25 HA ASN 25 -0.293 2.215 7.972 198 1HB ASN 25 2HB ASN 25 -2.573 3.787 7.330 199 2HB ASN 25 1HB ASN 25 -2.977 2.110 6.979 200 1HD2 ASN 25 1HD2 ASN 25 -3.026 4.408 9.303 201 2HD2 ASN 25 2HD2 ASN 25 -3.058 3.406 10.709 202 H PHE 26 H PHE 26 -1.373 2.633 4.633 203 HA PHE 26 HA PHE 26 -1.885 -0.015 3.970 204 1HB PHE 26 2HB PHE 26 -2.251 2.099 2.566 205 2HB PHE 26 1HB PHE 26 -0.567 1.933 2.082 206 HD1 PHE 26 HD1 PHE 26 -1.732 -1.289 2.599 207 HD2 PHE 26 HD2 PHE 26 -2.055 1.951 -0.155 208 HE1 PHE 26 HE1 PHE 26 -2.396 -2.867 0.825 209 HE2 PHE 26 HE2 PHE 26 -2.721 0.379 -1.932 210 HZ PHE 26 HZ PHE 26 -2.893 -2.033 -1.443 211 H LYS 27 H LYS 27 1.162 1.797 3.639 212 HA LYS 27 HA LYS 27 2.721 -0.306 2.664 213 1HB LYS 27 2HB LYS 27 3.531 2.068 4.352 214 2HB LYS 27 1HB LYS 27 4.658 1.008 3.515 215 1HG LYS 27 2HG LYS 27 2.952 1.745 1.508 216 2HG LYS 27 1HG LYS 27 3.038 3.205 2.495 217 1HD LYS 27 2HD LYS 27 5.571 2.884 2.439 218 2HD LYS 27 1HD LYS 27 5.275 1.726 1.141 219 1HE LYS 27 2HE LYS 27 4.606 3.339 -0.334 220 2HE LYS 27 1HE LYS 27 4.005 4.403 0.937 221 1HZ LYS 27 1HZ LYS 27 6.036 5.324 1.259 222 2HZ LYS 27 2HZ LYS 27 6.219 4.909 -0.370 223 3HZ LYS 27 3HZ LYS 27 6.884 3.923 0.832 224 H ALA 28 H ALA 28 1.686 0.489 5.896 225 HA ALA 28 HA ALA 28 3.533 -1.123 7.312 226 1HB ALA 28 1HB ALA 28 1.917 0.718 8.174 227 2HB ALA 28 2HB ALA 28 2.282 -0.664 9.206 228 3HB ALA 28 3HB ALA 28 0.762 -0.608 8.315 229 H LYS 29 H LYS 29 0.310 -1.725 5.989 230 HA LYS 29 HA LYS 29 -0.032 -4.319 7.025 231 1HB LYS 29 2HB LYS 29 -1.178 -2.918 4.613 232 2HB LYS 29 1HB LYS 29 -1.623 -4.566 5.033 233 1HG LYS 29 2HG LYS 29 -2.199 -3.565 7.348 234 2HG LYS 29 1HG LYS 29 -2.209 -2.024 6.487 235 1HD LYS 29 2HD LYS 29 -3.800 -3.104 4.841 236 2HD LYS 29 1HD LYS 29 -3.935 -4.439 5.989 237 1HE LYS 29 2HE LYS 29 -5.600 -3.267 6.908 238 2HE LYS 29 1HE LYS 29 -4.333 -2.238 7.576 239 1HZ LYS 29 1HZ LYS 29 -5.451 -0.631 6.514 240 2HZ LYS 29 2HZ LYS 29 -6.224 -1.698 5.454 241 3HZ LYS 29 3HZ LYS 29 -4.642 -1.188 5.136 242 H ILE 30 H ILE 30 1.371 -3.134 4.003 243 HA ILE 30 HA ILE 30 1.831 -5.647 2.813 244 HB ILE 30 HB ILE 30 3.486 -3.157 2.401 245 1HG1 ILE 30 2HG1 ILE 30 1.026 -3.956 0.844 246 2HG1 ILE 30 1HG1 ILE 30 0.968 -2.835 2.201 247 1HG2 ILE 30 1HG2 ILE 30 2.887 -4.950 0.157 248 2HG2 ILE 30 2HG2 ILE 30 3.900 -5.652 1.419 249 3HG2 ILE 30 3HG2 ILE 30 4.398 -4.165 0.613 250 1HD1 ILE 30 1HD1 ILE 30 1.040 -1.545 0.223 251 2HD1 ILE 30 2HD1 ILE 30 2.393 -2.479 -0.417 252 3HD1 ILE 30 3HD1 ILE 30 2.631 -1.421 0.973 253 H GLN 31 H GLN 31 3.782 -3.636 4.961 254 HA GLN 31 HA GLN 31 6.173 -5.085 4.824 255 1HB GLN 31 2HB GLN 31 5.776 -2.815 5.905 256 2HB GLN 31 1HB GLN 31 5.152 -3.693 7.297 257 1HG GLN 31 2HG GLN 31 7.305 -4.833 7.535 258 2HG GLN 31 1HG GLN 31 7.928 -3.926 6.156 259 1HE2 GLN 31 1HE2 GLN 31 9.485 -3.512 8.057 260 2HE2 GLN 31 2HE2 GLN 31 9.188 -2.065 8.953 261 H ASP 32 H ASP 32 3.315 -5.509 6.854 262 HA ASP 32 HA ASP 32 4.417 -7.577 8.462 263 1HB ASP 32 2HB ASP 32 2.201 -6.043 8.661 264 2HB ASP 32 1HB ASP 32 1.485 -7.528 8.043 265 H LYS 33 H LYS 33 3.390 -7.498 5.250 266 HA LYS 33 HA LYS 33 2.881 -10.393 5.213 267 1HB LYS 33 2HB LYS 33 1.956 -8.121 3.531 268 2HB LYS 33 1HB LYS 33 2.188 -9.671 2.738 269 1HG LYS 33 2HG LYS 33 0.635 -10.723 4.269 270 2HG LYS 33 1HG LYS 33 0.448 -9.207 5.153 271 1HD LYS 33 2HD LYS 33 -0.748 -8.205 3.435 272 2HD LYS 33 1HD LYS 33 -0.121 -9.318 2.217 273 1HE LYS 33 2HE LYS 33 -1.443 -10.974 3.985 274 2HE LYS 33 1HE LYS 33 -2.469 -9.541 3.922 275 1HZ LYS 33 1HZ LYS 33 -2.825 -9.798 1.661 276 2HZ LYS 33 2HZ LYS 33 -2.858 -11.393 2.221 277 3HZ LYS 33 3HZ LYS 33 -1.479 -10.799 1.443 278 H GLU 34 H GLU 34 4.774 -7.828 3.669 279 HA GLU 34 HA GLU 34 6.371 -9.865 2.290 280 1HB GLU 34 2HB GLU 34 6.215 -6.870 1.915 281 2HB GLU 34 1HB GLU 34 7.314 -7.921 1.031 282 1HG GLU 34 2HG GLU 34 4.364 -7.638 0.804 283 2HG GLU 34 1HG GLU 34 5.591 -7.714 -0.459 284 H GLY 35 H GLY 35 6.497 -7.508 4.829 285 1HA GLY 35 2HA GLY 35 8.089 -7.206 6.472 286 2HA GLY 35 1HA GLY 35 8.987 -8.545 5.778 287 H ILE 36 H ILE 36 8.038 -5.628 4.046 288 HA ILE 36 HA ILE 36 10.894 -4.923 3.849 289 HB ILE 36 HB ILE 36 8.694 -4.591 1.811 290 1HG1 ILE 36 2HG1 ILE 36 11.316 -6.104 1.766 291 2HG1 ILE 36 1HG1 ILE 36 9.711 -6.818 1.890 292 1HG2 ILE 36 1HG2 ILE 36 9.757 -2.785 1.074 293 2HG2 ILE 36 2HG2 ILE 36 11.113 -3.831 0.657 294 3HG2 ILE 36 3HG2 ILE 36 11.075 -3.019 2.222 295 1HD1 ILE 36 1HD1 ILE 36 9.358 -6.692 -0.307 296 2HD1 ILE 36 2HD1 ILE 36 11.109 -6.497 -0.414 297 3HD1 ILE 36 3HD1 ILE 36 10.060 -5.079 -0.429 298 HA PRO 37 HA PRO 37 9.802 -1.225 6.085 299 1HB PRO 37 2HB PRO 37 12.243 -0.218 4.713 300 2HB PRO 37 1HB PRO 37 11.829 -0.202 6.430 301 1HG PRO 37 2HG PRO 37 13.623 -1.926 5.474 302 2HG PRO 37 1HG PRO 37 12.481 -2.405 6.743 303 1HD PRO 37 2HD PRO 37 12.459 -3.053 3.829 304 2HD PRO 37 1HD PRO 37 11.980 -4.056 5.214 305 HA PRO 38 HA PRO 38 7.507 1.093 3.086 306 1HB PRO 38 2HB PRO 38 8.085 3.346 4.950 307 2HB PRO 38 1HB PRO 38 6.541 2.804 4.285 308 1HG PRO 38 2HG PRO 38 7.200 2.266 6.810 309 2HG PRO 38 1HG PRO 38 6.338 1.075 5.818 310 1HD PRO 38 2HD PRO 38 9.205 1.145 6.636 311 2HD PRO 38 1HD PRO 38 8.130 -0.249 6.401 312 H ASP 39 H ASP 39 10.643 2.063 4.269 313 HA ASP 39 HA ASP 39 11.113 4.235 2.542 314 1HB ASP 39 2HB ASP 39 12.453 3.297 4.626 315 2HB ASP 39 1HB ASP 39 13.368 2.460 3.374 316 H GLN 40 H GLN 40 11.083 0.836 2.006 317 HA GLN 40 HA GLN 40 12.328 1.215 -0.637 318 1HB GLN 40 2HB GLN 40 12.074 -1.278 1.052 319 2HB GLN 40 1HB GLN 40 12.689 -1.259 -0.595 320 1HG GLN 40 2HG GLN 40 14.710 -0.857 0.192 321 2HG GLN 40 1HG GLN 40 14.138 0.687 0.823 322 1HE2 GLN 40 1HE2 GLN 40 14.725 -2.674 1.567 323 2HE2 GLN 40 2HE2 GLN 40 14.740 -2.494 3.285 324 H GLN 41 H GLN 41 9.404 1.299 0.601 325 HA GLN 41 HA GLN 41 8.128 -0.492 -1.335 326 1HB GLN 41 2HB GLN 41 7.053 1.011 1.052 327 2HB GLN 41 1HB GLN 41 6.026 0.136 -0.075 328 1HG GLN 41 2HG GLN 41 7.495 -1.892 0.456 329 2HG GLN 41 1HG GLN 41 8.062 -0.947 1.833 330 1HE2 GLN 41 1HE2 GLN 41 6.984 -1.188 3.649 331 2HE2 GLN 41 2HE2 GLN 41 5.358 -1.755 3.802 332 H ARG 42 H ARG 42 6.875 0.232 -2.993 333 HA ARG 42 HA ARG 42 6.357 3.104 -3.217 334 1HB ARG 42 2HB ARG 42 8.313 1.661 -4.753 335 2HB ARG 42 1HB ARG 42 7.032 2.229 -5.817 336 1HG ARG 42 2HG ARG 42 7.587 4.404 -4.185 337 2HG ARG 42 1HG ARG 42 9.165 3.699 -4.544 338 1HD ARG 42 2HD ARG 42 7.139 4.199 -6.699 339 2HD ARG 42 1HD ARG 42 8.238 5.466 -6.156 340 HE ARG 42 HE ARG 42 9.939 3.481 -6.696 341 1HH1 ARG 42 2HH1 ARG 42 7.263 4.769 -8.513 342 2HH1 ARG 42 1HH1 ARG 42 7.960 4.392 -10.055 343 1HH2 ARG 42 1HH2 ARG 42 10.866 2.980 -8.719 344 2HH2 ARG 42 2HH2 ARG 42 10.008 3.374 -10.172 345 H LEU 43 H LEU 43 4.214 3.201 -3.356 346 HA LEU 43 HA LEU 43 2.774 1.127 -4.845 347 1HB LEU 43 2HB LEU 43 1.445 3.276 -3.237 348 2HB LEU 43 1HB LEU 43 0.868 1.663 -3.617 349 HG LEU 43 HG LEU 43 3.030 2.379 -1.636 350 1HD1 LEU 43 1HD1 LEU 43 1.154 2.751 -0.427 351 2HD1 LEU 43 2HD1 LEU 43 1.216 0.997 -0.247 352 3HD1 LEU 43 3HD1 LEU 43 0.154 1.723 -1.453 353 1HD2 LEU 43 1HD2 LEU 43 3.437 0.127 -1.269 354 2HD2 LEU 43 2HD2 LEU 43 3.296 0.213 -3.025 355 3HD2 LEU 43 3HD2 LEU 43 1.944 -0.377 -2.059 356 H ILE 44 H ILE 44 2.099 1.527 -6.840 357 HA ILE 44 HA ILE 44 1.725 4.335 -7.660 358 HB ILE 44 HB ILE 44 2.660 1.999 -9.328 359 1HG1 ILE 44 2HG1 ILE 44 4.562 3.841 -9.641 360 2HG1 ILE 44 1HG1 ILE 44 3.986 4.344 -8.055 361 1HG2 ILE 44 1HG2 ILE 44 2.846 4.561 -10.620 362 2HG2 ILE 44 2HG2 ILE 44 1.180 4.223 -10.151 363 3HG2 ILE 44 3HG2 ILE 44 2.057 3.083 -11.170 364 1HD1 ILE 44 1HD1 ILE 44 5.922 2.550 -8.403 365 2HD1 ILE 44 2HD1 ILE 44 4.529 1.467 -8.405 366 3HD1 ILE 44 3HD1 ILE 44 4.822 2.525 -7.023 367 H PHE 45 H PHE 45 -0.355 4.795 -7.884 368 HA PHE 45 HA PHE 45 -2.151 2.725 -8.965 369 1HB PHE 45 2HB PHE 45 -2.731 3.301 -6.670 370 2HB PHE 45 1HB PHE 45 -2.783 5.010 -7.087 371 HD1 PHE 45 HD1 PHE 45 -4.607 1.924 -6.953 372 HD2 PHE 45 HD2 PHE 45 -4.547 5.817 -8.692 373 HE1 PHE 45 HE1 PHE 45 -7.003 1.714 -7.497 374 HE2 PHE 45 HE2 PHE 45 -6.942 5.614 -9.240 375 HZ PHE 45 HZ PHE 45 -8.172 3.560 -8.641 376 H ALA 46 H ALA 46 -3.017 3.116 -10.888 377 HA ALA 46 HA ALA 46 -3.504 4.164 -12.854 378 1HB ALA 46 1HB ALA 46 -5.135 5.749 -12.675 379 2HB ALA 46 2HB ALA 46 -4.294 6.634 -11.403 380 3HB ALA 46 3HB ALA 46 -5.144 5.136 -11.021 381 H GLY 47 H GLY 47 -0.806 4.366 -12.178 382 1HA GLY 47 2HA GLY 47 0.985 5.438 -13.217 383 2HA GLY 47 1HA GLY 47 -0.098 6.734 -13.694 384 H LYS 48 H LYS 48 -1.107 7.267 -11.045 385 HA LYS 48 HA LYS 48 0.960 9.029 -10.158 386 1HB LYS 48 2HB LYS 48 -1.872 8.650 -9.680 387 2HB LYS 48 1HB LYS 48 -1.011 8.944 -8.175 388 1HG LYS 48 2HG LYS 48 -0.456 11.074 -8.742 389 2HG LYS 48 1HG LYS 48 -0.408 10.720 -10.471 390 1HD LYS 48 2HD LYS 48 -3.071 10.324 -9.543 391 2HD LYS 48 1HD LYS 48 -2.508 11.894 -8.965 392 1HE LYS 48 2HE LYS 48 -1.661 12.177 -11.414 393 2HE LYS 48 1HE LYS 48 -2.828 10.904 -11.767 394 1HZ LYS 48 1HZ LYS 48 -3.787 13.106 -12.054 395 2HZ LYS 48 2HZ LYS 48 -3.449 13.489 -10.441 396 3HZ LYS 48 3HZ LYS 48 -4.566 12.271 -10.804 397 H GLN 49 H GLN 49 2.139 8.984 -8.258 398 HA GLN 49 HA GLN 49 2.402 6.332 -7.047 399 1HB GLN 49 2HB GLN 49 4.478 7.174 -7.853 400 2HB GLN 49 1HB GLN 49 4.209 8.745 -7.108 401 1HG GLN 49 2HG GLN 49 4.113 6.980 -4.984 402 2HG GLN 49 1HG GLN 49 5.398 6.345 -6.011 403 1HE2 GLN 49 1HE2 GLN 49 7.291 7.446 -6.195 404 2HE2 GLN 49 2HE2 GLN 49 7.671 8.861 -5.280 405 H LEU 50 H LEU 50 1.048 6.083 -5.375 406 HA LEU 50 HA LEU 50 -0.112 8.006 -3.794 407 1HB LEU 50 2HB LEU 50 0.511 5.125 -3.428 408 2HB LEU 50 1HB LEU 50 0.033 6.031 -2.005 409 HG LEU 50 HG LEU 50 -2.074 6.648 -3.072 410 1HD1 LEU 50 1HD1 LEU 50 -1.530 4.801 -5.345 411 2HD1 LEU 50 2HD1 LEU 50 -0.930 6.457 -5.420 412 3HD1 LEU 50 3HD1 LEU 50 -2.657 6.153 -5.233 413 1HD2 LEU 50 1HD2 LEU 50 -2.924 4.779 -2.242 414 2HD2 LEU 50 2HD2 LEU 50 -1.310 4.068 -2.246 415 3HD2 LEU 50 3HD2 LEU 50 -2.365 3.866 -3.643 416 H GLU 51 H GLU 51 0.494 9.268 -2.140 417 HA GLU 51 HA GLU 51 3.279 9.078 -1.248 418 1HB GLU 51 2HB GLU 51 1.339 11.350 -0.806 419 2HB GLU 51 1HB GLU 51 3.081 11.376 -0.562 420 1HG GLU 51 2HG GLU 51 3.001 10.691 -3.152 421 2HG GLU 51 1HG GLU 51 1.505 11.619 -3.040 422 H ASP 52 H ASP 52 3.816 9.255 0.984 423 HA ASP 52 HA ASP 52 2.113 7.742 2.682 424 1HB ASP 52 2HB ASP 52 4.624 9.302 3.322 425 2HB ASP 52 1HB ASP 52 3.845 8.149 4.402 426 H GLY 53 H GLY 53 1.823 10.886 1.785 427 1HA GLY 53 2HA GLY 53 0.862 11.764 4.425 428 2HA GLY 53 1HA GLY 53 1.291 12.833 3.099 429 H ARG 54 H ARG 54 -0.258 10.593 1.470 430 HA ARG 54 HA ARG 54 -2.856 11.931 1.783 431 1HB ARG 54 2HB ARG 54 -1.384 10.791 -0.532 432 2HB ARG 54 1HB ARG 54 -3.136 10.648 -0.553 433 1HG ARG 54 2HG ARG 54 -2.881 13.246 0.108 434 2HG ARG 54 1HG ARG 54 -1.424 13.019 -0.862 435 1HD ARG 54 2HD ARG 54 -3.651 11.747 -2.141 436 2HD ARG 54 1HD ARG 54 -4.058 13.421 -1.764 437 HE ARG 54 HE ARG 54 -1.556 13.515 -2.892 438 1HH1 ARG 54 2HH1 ARG 54 -4.698 12.359 -3.852 439 2HH1 ARG 54 1HH1 ARG 54 -4.437 12.658 -5.538 440 1HH2 ARG 54 1HH2 ARG 54 -1.201 13.914 -5.110 441 2HH2 ARG 54 2HH2 ARG 54 -2.448 13.542 -6.253 442 H THR 55 H THR 55 -4.701 10.392 0.898 443 HA THR 55 HA THR 55 -4.401 7.778 2.226 444 HB THR 55 HB THR 55 -6.707 7.908 2.994 445 HG1 THR 55 HG1 THR 55 -6.760 10.052 1.285 446 1HG2 THR 55 1HG2 THR 55 -4.737 8.979 4.277 447 2HG2 THR 55 2HG2 THR 55 -6.381 9.367 4.786 448 3HG2 THR 55 3HG2 THR 55 -5.465 10.515 3.809 449 H LEU 56 H LEU 56 -6.501 6.408 1.595 450 HA LEU 56 HA LEU 56 -6.240 5.867 -1.176 451 1HB LEU 56 2HB LEU 56 -8.531 4.872 0.483 452 2HB LEU 56 1HB LEU 56 -7.691 4.066 -0.828 453 HG LEU 56 HG LEU 56 -6.809 4.409 2.022 454 1HD1 LEU 56 1HD1 LEU 56 -8.128 2.393 0.757 455 2HD1 LEU 56 2HD1 LEU 56 -7.131 2.199 2.198 456 3HD1 LEU 56 3HD1 LEU 56 -6.449 1.874 0.604 457 1HD2 LEU 56 1HD2 LEU 56 -4.842 5.016 0.917 458 2HD2 LEU 56 2HD2 LEU 56 -5.125 3.880 -0.402 459 3HD2 LEU 56 3HD2 LEU 56 -4.666 3.283 1.193 460 H SER 57 H SER 57 -8.816 7.342 0.764 461 HA SER 57 HA SER 57 -10.666 7.702 -1.317 462 1HB SER 57 2HB SER 57 -11.834 9.166 0.158 463 2HB SER 57 1HB SER 57 -11.084 7.941 1.181 464 HG SER 57 HG SER 57 -10.875 10.406 1.606 465 H ASP 58 H ASP 58 -7.787 9.417 -0.471 466 HA ASP 58 HA ASP 58 -8.306 11.898 -1.672 467 1HB ASP 58 2HB ASP 58 -5.842 10.380 -0.939 468 2HB ASP 58 1HB ASP 58 -5.674 11.776 -2.001 469 H TYR 59 H TYR 59 -7.221 8.836 -2.999 470 HA TYR 59 HA TYR 59 -7.008 10.040 -5.665 471 1HB TYR 59 2HB TYR 59 -6.225 7.253 -4.790 472 2HB TYR 59 1HB TYR 59 -5.853 8.015 -6.332 473 HD1 TYR 59 HD1 TYR 59 -3.973 9.450 -6.571 474 HD2 TYR 59 HD2 TYR 59 -5.140 8.099 -2.701 475 HE1 TYR 59 HE1 TYR 59 -1.858 10.306 -5.642 476 HE2 TYR 59 HE2 TYR 59 -3.029 8.952 -1.760 477 HH TYR 59 HH TYR 59 -0.968 11.042 -3.458 478 H ASN 60 H ASN 60 -9.521 9.355 -4.139 479 HA ASN 60 HA ASN 60 -11.558 8.390 -4.490 480 1HB ASN 60 2HB ASN 60 -11.291 9.918 -6.481 481 2HB ASN 60 1HB ASN 60 -10.774 8.513 -7.407 482 1HD2 ASN 60 1HD2 ASN 60 -12.443 8.420 -8.810 483 2HD2 ASN 60 2HD2 ASN 60 -14.077 8.098 -8.350 484 H ILE 61 H ILE 61 -9.834 6.488 -3.716 485 HA ILE 61 HA ILE 61 -9.821 4.285 -5.595 486 HB ILE 61 HB ILE 61 -8.948 4.425 -2.708 487 1HG1 ILE 61 2HG1 ILE 61 -7.438 4.491 -5.325 488 2HG1 ILE 61 1HG1 ILE 61 -7.512 5.756 -4.102 489 1HG2 ILE 61 1HG2 ILE 61 -7.690 2.263 -3.621 490 2HG2 ILE 61 2HG2 ILE 61 -9.135 2.180 -4.628 491 3HG2 ILE 61 3HG2 ILE 61 -9.284 2.186 -2.871 492 1HD1 ILE 61 1HD1 ILE 61 -6.064 3.140 -3.997 493 2HD1 ILE 61 2HD1 ILE 61 -6.406 4.077 -2.543 494 3HD1 ILE 61 3HD1 ILE 61 -5.418 4.772 -3.829 495 H GLN 62 H GLN 62 -11.118 2.518 -5.573 496 HA GLN 62 HA GLN 62 -13.261 2.464 -3.548 497 1HB GLN 62 2HB GLN 62 -13.344 1.931 -6.505 498 2HB GLN 62 1HB GLN 62 -14.560 1.254 -5.430 499 1HG GLN 62 2HG GLN 62 -14.010 4.125 -6.070 500 2HG GLN 62 1HG GLN 62 -15.512 3.218 -6.241 501 1HE2 GLN 62 1HE2 GLN 62 -13.782 5.350 -4.335 502 2HE2 GLN 62 2HE2 GLN 62 -14.740 5.258 -2.900 503 H LYS 63 H LYS 63 -14.399 0.088 -3.962 504 HA LYS 63 HA LYS 63 -12.476 -1.735 -2.875 505 1HB LYS 63 2HB LYS 63 -14.333 -3.299 -2.713 506 2HB LYS 63 1HB LYS 63 -14.823 -1.715 -2.132 507 1HG LYS 63 2HG LYS 63 -15.516 -1.608 -4.777 508 2HG LYS 63 1HG LYS 63 -15.841 -3.292 -4.359 509 1HD LYS 63 2HD LYS 63 -16.761 -1.391 -2.342 510 2HD LYS 63 1HD LYS 63 -17.535 -1.181 -3.913 511 1HE LYS 63 2HE LYS 63 -17.505 -3.930 -3.511 512 2HE LYS 63 1HE LYS 63 -17.902 -3.258 -1.930 513 1HZ LYS 63 1HZ LYS 63 -19.947 -2.853 -2.631 514 2HZ LYS 63 2HZ LYS 63 -19.587 -3.574 -4.119 515 3HZ LYS 63 3HZ LYS 63 -19.374 -1.908 -3.915 516 H GLU 64 H GLU 64 -12.104 -3.915 -3.735 517 HA GLU 64 HA GLU 64 -11.444 -5.365 -5.360 518 1HB GLU 64 2HB GLU 64 -13.302 -3.809 -7.167 519 2HB GLU 64 1HB GLU 64 -12.650 -5.414 -7.473 520 1HG GLU 64 2HG GLU 64 -13.891 -6.308 -5.599 521 2HG GLU 64 1HG GLU 64 -14.493 -4.699 -5.204 522 H SER 65 H SER 65 -10.477 -2.391 -5.087 523 HA SER 65 HA SER 65 -9.284 -1.867 -7.647 524 1HB SER 65 2HB SER 65 -8.803 -0.613 -4.933 525 2HB SER 65 1HB SER 65 -8.126 -0.021 -6.450 526 HG SER 65 HG SER 65 -9.939 1.139 -6.237 527 H THR 66 H THR 66 -7.133 -2.081 -8.239 528 HA THR 66 HA THR 66 -5.521 -3.820 -6.487 529 HB THR 66 HB THR 66 -5.547 -3.678 -9.508 530 HG1 THR 66 HG1 THR 66 -5.980 -6.116 -8.652 531 1HG2 THR 66 1HG2 THR 66 -4.020 -5.730 -7.972 532 2HG2 THR 66 2HG2 THR 66 -3.310 -4.131 -8.196 533 3HG2 THR 66 3HG2 THR 66 -3.745 -5.107 -9.599 534 H ILE 67 H ILE 67 -3.407 -3.311 -6.111 535 HA ILE 67 HA ILE 67 -2.357 -0.867 -7.376 536 HB ILE 67 HB ILE 67 -2.107 -1.604 -4.457 537 1HG1 ILE 67 2HG1 ILE 67 -3.239 0.780 -4.360 538 2HG1 ILE 67 1HG1 ILE 67 -3.798 0.343 -5.972 539 1HG2 ILE 67 1HG2 ILE 67 -0.127 -0.534 -4.774 540 2HG2 ILE 67 2HG2 ILE 67 -1.160 0.878 -4.549 541 3HG2 ILE 67 3HG2 ILE 67 -0.710 0.365 -6.175 542 1HD1 ILE 67 1HD1 ILE 67 -5.406 -0.170 -4.161 543 2HD1 ILE 67 2HD1 ILE 67 -4.248 -1.336 -3.522 544 3HD1 ILE 67 3HD1 ILE 67 -4.944 -1.571 -5.126 545 H HIS 68 H HIS 68 -0.134 -0.792 -7.721 546 HA HIS 68 HA HIS 68 1.201 -3.403 -7.554 547 1HB HIS 68 2HB HIS 68 1.361 -1.111 -9.448 548 2HB HIS 68 1HB HIS 68 2.827 -2.051 -9.181 549 HD1 HIS 68 HD1 HIS 68 2.609 -4.675 -9.724 550 HD2 HIS 68 HD2 HIS 68 -0.432 -2.240 -11.170 551 HE1 HIS 68 HE1 HIS 68 1.434 -6.038 -11.482 552 HE2 HIS 68 HE2 HIS 68 -0.456 -4.576 -12.279 553 H LEU 69 H LEU 69 2.975 -3.695 -6.348 554 HA LEU 69 HA LEU 69 4.023 -1.362 -4.901 555 1HB LEU 69 2HB LEU 69 3.185 -3.071 -3.439 556 2HB LEU 69 1HB LEU 69 4.099 -4.310 -4.277 557 HG LEU 69 HG LEU 69 6.146 -2.787 -3.505 558 1HD1 LEU 69 1HD1 LEU 69 5.481 -1.128 -2.173 559 2HD1 LEU 69 2HD1 LEU 69 5.201 -2.373 -0.957 560 3HD1 LEU 69 3HD1 LEU 69 3.871 -1.819 -1.974 561 1HD2 LEU 69 1HD2 LEU 69 5.697 -4.249 -1.213 562 2HD2 LEU 69 2HD2 LEU 69 6.496 -4.827 -2.676 563 3HD2 LEU 69 3HD2 LEU 69 4.773 -5.116 -2.440 564 H VAL 70 H VAL 70 6.172 -0.850 -4.915 565 HA VAL 70 HA VAL 70 7.944 -2.516 -6.574 566 HB VAL 70 HB VAL 70 8.472 0.381 -6.667 567 1HG1 VAL 70 1HG1 VAL 70 8.548 -1.952 -8.542 568 2HG1 VAL 70 2HG1 VAL 70 9.865 -0.910 -8.005 569 3HG1 VAL 70 3HG1 VAL 70 8.669 -0.301 -9.151 570 1HG2 VAL 70 1HG2 VAL 70 5.917 -0.781 -7.659 571 2HG2 VAL 70 2HG2 VAL 70 6.726 0.444 -8.636 572 3HG2 VAL 70 3HG2 VAL 70 6.245 0.814 -6.980 573 H LEU 71 H LEU 71 10.238 -2.187 -6.167 574 HA LEU 71 HA LEU 71 10.735 -1.806 -3.334 575 1HB LEU 71 2HB LEU 71 11.890 -3.346 -5.444 576 2HB LEU 71 1HB LEU 71 13.139 -2.331 -4.750 577 HG LEU 71 HG LEU 71 12.741 -3.265 -2.548 578 1HD1 LEU 71 1HD1 LEU 71 11.063 -5.463 -3.082 579 2HD1 LEU 71 2HD1 LEU 71 10.244 -4.028 -3.701 580 3HD1 LEU 71 3HD1 LEU 71 10.757 -4.092 -2.015 581 1HD2 LEU 71 1HD2 LEU 71 14.344 -4.510 -3.676 582 2HD2 LEU 71 2HD2 LEU 71 13.171 -5.176 -4.812 583 3HD2 LEU 71 3HD2 LEU 71 13.193 -5.733 -3.139 584 H ARG 72 H ARG 72 11.494 -0.263 -6.387 585 HA ARG 72 HA ARG 72 12.188 1.871 -6.827 586 1HB ARG 72 2HB ARG 72 10.995 2.306 -4.543 587 2HB ARG 72 1HB ARG 72 12.633 2.414 -3.912 588 1HG ARG 72 2HG ARG 72 12.409 4.000 -6.284 589 2HG ARG 72 1HG ARG 72 11.127 4.426 -5.150 590 1HD ARG 72 2HD ARG 72 13.277 4.237 -3.493 591 2HD ARG 72 1HD ARG 72 14.029 4.838 -4.971 592 HE ARG 72 HE ARG 72 11.916 6.479 -4.688 593 1HH1 ARG 72 2HH1 ARG 72 14.409 5.456 -2.481 594 2HH1 ARG 72 1HH1 ARG 72 14.385 6.928 -1.568 595 1HH2 ARG 72 1HH2 ARG 72 11.876 8.421 -3.492 596 2HH2 ARG 72 2HH2 ARG 72 12.944 8.614 -2.143 597 H LEU 73 H LEU 73 14.064 1.110 -7.799 598 HA LEU 73 HA LEU 73 16.501 1.608 -6.268 599 1HB LEU 73 2HB LEU 73 17.474 -0.482 -7.446 600 2HB LEU 73 1HB LEU 73 16.522 -0.683 -5.987 601 HG LEU 73 HG LEU 73 16.029 -2.340 -7.796 602 1HD1 LEU 73 1HD1 LEU 73 13.465 -0.986 -7.572 603 2HD1 LEU 73 2HD1 LEU 73 14.329 -1.083 -6.038 604 3HD1 LEU 73 3HD1 LEU 73 13.979 -2.553 -6.948 605 1HD2 LEU 73 1HD2 LEU 73 14.689 -0.038 -9.193 606 2HD2 LEU 73 2HD2 LEU 73 14.863 -1.699 -9.756 607 3HD2 LEU 73 3HD2 LEU 73 16.279 -0.655 -9.647 608 H ARG 74 H ARG 74 15.406 3.304 -8.112 609 HA ARG 74 HA ARG 74 15.773 4.413 -10.072 610 1HB ARG 74 2HB ARG 74 18.452 3.464 -9.171 611 2HB ARG 74 1HB ARG 74 18.328 4.198 -10.764 612 1HG ARG 74 2HG ARG 74 16.941 5.949 -9.153 613 2HG ARG 74 1HG ARG 74 18.285 5.427 -8.136 614 1HD ARG 74 2HD ARG 74 18.302 6.955 -10.683 615 2HD ARG 74 1HD ARG 74 19.276 7.171 -9.230 616 HE ARG 74 HE ARG 74 20.140 4.801 -10.234 617 1HH1 ARG 74 2HH1 ARG 74 19.779 8.003 -11.557 618 2HH1 ARG 74 1HH1 ARG 74 21.092 7.830 -12.674 619 1HH2 ARG 74 1HH2 ARG 74 21.872 4.564 -11.700 620 2HH2 ARG 74 2HH2 ARG 74 22.282 5.875 -12.755 621 H GLY 75 H GLY 75 14.537 2.078 -10.613 622 1HA GLY 75 2HA GLY 75 16.034 0.862 -12.837 623 2HA GLY 75 1HA GLY 75 14.652 0.140 -12.029 624 H GLY 76 HN GLY 76 15.023 0.507 -14.865 625 1HA GLY 76 2HA GLY 76 12.905 0.835 -16.159 626 2HA GLY 76 1HA GLY 76 12.841 2.424 -15.412 Start of MODEL 2 1 2H MET 1 2H MET 1 -14.242 -2.966 2.659 2 3H MET 1 3H MET 1 -13.677 -4.487 2.180 3 1H MET 1 1H MET 1 -14.865 -3.700 1.268 4 HA MET 1 HA MET 1 -13.366 -2.682 0.052 5 1HB MET 1 2HB MET 1 -13.309 -0.904 1.667 6 2HB MET 1 1HB MET 1 -12.238 -1.820 2.717 7 1HG MET 1 2HG MET 1 -10.391 -1.404 1.438 8 2HG MET 1 1HG MET 1 -11.327 -1.193 -0.041 9 1HE MET 1 1HE MET 1 -11.442 0.557 -1.120 10 2HE MET 1 2HE MET 1 -10.119 1.642 -0.695 11 3HE MET 1 3HE MET 1 -11.787 2.209 -0.609 12 H GLN 2 H GLN 2 -12.735 -4.854 -0.584 13 HA GLN 2 HA GLN 2 -10.169 -5.763 0.498 14 1HB GLN 2 2HB GLN 2 -12.083 -7.134 -1.400 15 2HB GLN 2 1HB GLN 2 -10.606 -7.840 -0.756 16 1HG GLN 2 2HG GLN 2 -12.286 -6.861 1.368 17 2HG GLN 2 1HG GLN 2 -13.163 -7.983 0.330 18 1HE2 GLN 2 1HE2 GLN 2 -13.207 -9.377 2.186 19 2HE2 GLN 2 2HE2 GLN 2 -11.837 -10.364 2.553 20 H VAL 3 H VAL 3 -8.474 -4.855 -0.441 21 HA VAL 3 HA VAL 3 -8.543 -4.264 -3.313 22 HB VAL 3 HB VAL 3 -6.369 -3.052 -2.817 23 1HG1 VAL 3 1HG1 VAL 3 -8.326 -1.696 -1.116 24 2HG1 VAL 3 2HG1 VAL 3 -8.971 -2.235 -2.666 25 3HG1 VAL 3 3HG1 VAL 3 -7.567 -1.169 -2.618 26 1HG2 VAL 3 1HG2 VAL 3 -5.468 -3.038 -0.775 27 2HG2 VAL 3 2HG2 VAL 3 -6.560 -4.370 -0.397 28 3HG2 VAL 3 3HG2 VAL 3 -7.021 -2.714 -0.005 29 H PHE 4 H PHE 4 -6.615 -4.749 -4.608 30 HA PHE 4 HA PHE 4 -5.335 -7.252 -3.724 31 1HB PHE 4 2HB PHE 4 -5.806 -6.384 -6.580 32 2HB PHE 4 1HB PHE 4 -5.244 -7.957 -6.023 33 HD1 PHE 4 HD1 PHE 4 -6.845 -9.322 -4.554 34 HD2 PHE 4 HD2 PHE 4 -8.067 -5.993 -6.922 35 HE1 PHE 4 HE1 PHE 4 -9.173 -10.130 -4.481 36 HE2 PHE 4 HE2 PHE 4 -10.398 -6.793 -6.852 37 HZ PHE 4 HZ PHE 4 -10.953 -8.864 -5.630 38 H LEU 5 H LEU 5 -3.199 -7.242 -3.493 39 HA LEU 5 HA LEU 5 -1.681 -5.016 -4.682 40 1HB LEU 5 2HB LEU 5 -1.861 -5.429 -2.095 41 2HB LEU 5 1HB LEU 5 -0.652 -6.660 -2.406 42 HG LEU 5 HG LEU 5 0.452 -4.520 -3.677 43 1HD1 LEU 5 1HD1 LEU 5 -1.310 -3.516 -1.493 44 2HD1 LEU 5 2HD1 LEU 5 -0.941 -2.802 -3.063 45 3HD1 LEU 5 3HD1 LEU 5 0.254 -2.749 -1.767 46 1HD2 LEU 5 1HD2 LEU 5 2.095 -4.693 -2.099 47 2HD2 LEU 5 2HD2 LEU 5 1.231 -6.200 -1.794 48 3HD2 LEU 5 3HD2 LEU 5 0.953 -4.799 -0.760 49 H LYS 6 H LYS 6 -0.062 -5.455 -6.059 50 HA LYS 6 HA LYS 6 0.582 -8.287 -6.523 51 1HB LYS 6 2HB LYS 6 -0.097 -6.161 -8.289 52 2HB LYS 6 1HB LYS 6 1.568 -6.618 -8.617 53 1HG LYS 6 2HG LYS 6 0.888 -8.930 -8.948 54 2HG LYS 6 1HG LYS 6 -0.784 -8.499 -8.577 55 1HD LYS 6 2HD LYS 6 0.136 -6.730 -10.591 56 2HD LYS 6 1HD LYS 6 0.577 -8.370 -11.074 57 1HE LYS 6 2HE LYS 6 -2.158 -7.945 -10.010 58 2HE LYS 6 1HE LYS 6 -1.805 -7.303 -11.614 59 1HZ LYS 6 1HZ LYS 6 -1.572 -9.365 -12.491 60 2HZ LYS 6 2HZ LYS 6 -2.640 -9.764 -11.241 61 3HZ LYS 6 3HZ LYS 6 -0.983 -10.050 -11.060 62 H THR 7 H THR 7 2.768 -8.865 -7.011 63 HA THR 7 HA THR 7 4.692 -7.188 -5.566 64 HB THR 7 HB THR 7 6.001 -9.096 -5.188 65 HG1 THR 7 HG1 THR 7 5.516 -11.098 -6.353 66 1HG2 THR 7 1HG2 THR 7 3.074 -9.752 -5.084 67 2HG2 THR 7 2HG2 THR 7 4.159 -9.318 -3.764 68 3HG2 THR 7 3HG2 THR 7 4.289 -10.902 -4.527 69 H LEU 8 H LEU 8 7.023 -8.351 -6.695 70 HA LEU 8 HA LEU 8 7.248 -6.714 -9.052 71 1HB LEU 8 2HB LEU 8 9.317 -8.577 -7.900 72 2HB LEU 8 1HB LEU 8 9.590 -7.221 -8.977 73 HG LEU 8 HG LEU 8 8.579 -6.977 -6.143 74 1HD1 LEU 8 1HD1 LEU 8 10.879 -7.807 -6.221 75 2HD1 LEU 8 2HD1 LEU 8 10.803 -6.156 -5.605 76 3HD1 LEU 8 3HD1 LEU 8 11.330 -6.457 -7.261 77 1HD2 LEU 8 1HD2 LEU 8 9.663 -4.819 -7.935 78 2HD2 LEU 8 2HD2 LEU 8 8.821 -4.643 -6.396 79 3HD2 LEU 8 3HD2 LEU 8 7.942 -5.193 -7.821 80 H THR 9 H THR 9 5.980 -9.680 -8.656 81 HA THR 9 HA THR 9 6.830 -10.529 -11.343 82 HB THR 9 HB THR 9 6.671 -12.877 -10.661 83 HG1 THR 9 HG1 THR 9 6.051 -11.722 -8.143 84 1HG2 THR 9 1HG2 THR 9 8.501 -12.157 -8.571 85 2HG2 THR 9 2HG2 THR 9 8.689 -11.054 -9.935 86 3HG2 THR 9 3HG2 THR 9 8.844 -12.794 -10.180 87 H GLY 10 H GLY 10 4.594 -12.407 -9.446 88 1HA GLY 10 2HA GLY 10 2.270 -11.139 -10.659 89 2HA GLY 10 1HA GLY 10 2.624 -12.768 -11.208 90 H LYS 11 H LYS 11 2.879 -11.352 -7.959 91 HA LYS 11 HA LYS 11 1.147 -13.514 -6.987 92 1HB LYS 11 2HB LYS 11 3.526 -13.002 -6.054 93 2HB LYS 11 1HB LYS 11 2.724 -11.688 -5.207 94 1HG LYS 11 2HG LYS 11 1.110 -13.857 -4.683 95 2HG LYS 11 1HG LYS 11 2.742 -14.529 -4.638 96 1HD LYS 11 2HD LYS 11 3.221 -12.368 -3.204 97 2HD LYS 11 1HD LYS 11 1.485 -12.461 -2.902 98 1HE LYS 11 2HE LYS 11 1.669 -14.334 -1.647 99 2HE LYS 11 1HE LYS 11 2.985 -14.986 -2.623 100 1HZ LYS 11 1HZ LYS 11 3.853 -12.671 -1.258 101 2HZ LYS 11 2HZ LYS 11 4.443 -14.251 -1.146 102 3HZ LYS 11 3HZ LYS 11 3.172 -13.752 -0.150 103 H THR 12 H THR 12 -0.905 -13.035 -6.615 104 HA THR 12 HA THR 12 -1.656 -10.244 -6.128 105 HB THR 12 HB THR 12 -3.603 -12.482 -6.621 106 HG1 THR 12 HG1 THR 12 -2.380 -10.873 -8.630 107 1HG2 THR 12 1HG2 THR 12 -3.867 -9.654 -7.554 108 2HG2 THR 12 2HG2 THR 12 -4.173 -10.043 -5.862 109 3HG2 THR 12 3HG2 THR 12 -5.123 -10.817 -7.129 110 H VAL 13 H VAL 13 -2.027 -9.610 -4.121 111 HA VAL 13 HA VAL 13 -2.961 -11.603 -2.159 112 HB VAL 13 HB VAL 13 -1.894 -10.005 -0.451 113 1HG1 VAL 13 1HG1 VAL 13 0.276 -11.220 -2.051 114 2HG1 VAL 13 2HG1 VAL 13 -1.034 -12.289 -1.548 115 3HG1 VAL 13 3HG1 VAL 13 -0.110 -11.398 -0.339 116 1HG2 VAL 13 1HG2 VAL 13 0.139 -9.213 -2.380 117 2HG2 VAL 13 2HG2 VAL 13 -0.654 -8.271 -1.116 118 3HG2 VAL 13 3HG2 VAL 13 -1.432 -8.470 -2.687 119 H THR 14 H THR 14 -4.652 -11.071 -0.841 120 HA THR 14 HA THR 14 -6.100 -8.618 -1.543 121 HB THR 14 HB THR 14 -7.694 -10.208 0.158 122 HG1 THR 14 HG1 THR 14 -7.661 -12.188 -1.109 123 1HG2 THR 14 1HG2 THR 14 -9.149 -10.340 -1.737 124 2HG2 THR 14 2HG2 THR 14 -7.814 -10.053 -2.853 125 3HG2 THR 14 3HG2 THR 14 -8.363 -8.763 -1.783 126 H ILE 15 H ILE 15 -6.371 -7.003 -0.133 127 HA ILE 15 HA ILE 15 -5.849 -7.504 2.717 128 HB ILE 15 HB ILE 15 -4.795 -5.129 1.176 129 1HG1 ILE 15 2HG1 ILE 15 -3.174 -7.278 2.535 130 2HG1 ILE 15 1HG1 ILE 15 -3.652 -7.400 0.845 131 1HG2 ILE 15 1HG2 ILE 15 -4.506 -4.104 3.122 132 2HG2 ILE 15 2HG2 ILE 15 -3.654 -5.502 3.779 133 3HG2 ILE 15 3HG2 ILE 15 -5.410 -5.403 3.899 134 1HD1 ILE 15 1HD1 ILE 15 -1.882 -5.331 2.107 135 2HD1 ILE 15 2HD1 ILE 15 -2.517 -5.201 0.466 136 3HD1 ILE 15 3HD1 ILE 15 -1.452 -6.539 0.897 137 H GLU 16 H GLU 16 -7.041 -6.276 4.157 138 HA GLU 16 HA GLU 16 -9.322 -4.863 2.979 139 1HB GLU 16 2HB GLU 16 -9.300 -6.801 4.861 140 2HB GLU 16 1HB GLU 16 -9.236 -5.380 5.895 141 1HG GLU 16 2HG GLU 16 -11.451 -5.372 5.741 142 2HG GLU 16 1HG GLU 16 -11.212 -4.724 4.118 143 H VAL 17 H VAL 17 -9.401 -2.721 3.013 144 HA VAL 17 HA VAL 17 -8.090 -1.263 5.190 145 HB VAL 17 HB VAL 17 -7.137 0.376 3.628 146 1HG1 VAL 17 1HG1 VAL 17 -5.992 -2.149 2.614 147 2HG1 VAL 17 2HG1 VAL 17 -6.064 -1.969 4.367 148 3HG1 VAL 17 3HG1 VAL 17 -5.207 -0.777 3.393 149 1HG2 VAL 17 1HG2 VAL 17 -8.520 -1.335 1.653 150 2HG2 VAL 17 2HG2 VAL 17 -6.934 -0.718 1.191 151 3HG2 VAL 17 3HG2 VAL 17 -8.220 0.402 1.638 152 H GLU 18 H GLU 18 -8.742 1.057 5.230 153 HA GLU 18 HA GLU 18 -11.526 1.337 4.312 154 1HB GLU 18 2HB GLU 18 -10.120 2.168 6.807 155 2HB GLU 18 1HB GLU 18 -11.429 3.183 6.219 156 1HG GLU 18 2HG GLU 18 -11.749 0.231 6.648 157 2HG GLU 18 1HG GLU 18 -12.028 1.415 7.924 158 HA PRO 19 HA PRO 19 -10.581 4.677 1.616 159 1HB PRO 19 2HB PRO 19 -12.809 6.099 3.003 160 2HB PRO 19 1HB PRO 19 -12.543 5.840 1.275 161 1HG PRO 19 2HG PRO 19 -14.355 4.406 2.599 162 2HG PRO 19 1HG PRO 19 -13.346 3.662 1.345 163 1HD PRO 19 2HD PRO 19 -13.162 3.434 4.313 164 2HD PRO 19 1HD PRO 19 -12.806 2.226 3.061 165 H SER 20 H SER 20 -11.119 5.361 5.031 166 HA SER 20 HA SER 20 -9.680 7.875 4.892 167 1HB SER 20 2HB SER 20 -10.285 8.185 7.174 168 2HB SER 20 1HB SER 20 -11.689 7.459 6.391 169 HG SER 20 HG SER 20 -11.043 6.513 8.454 170 H ASP 21 H ASP 21 -8.342 5.247 4.319 171 HA ASP 21 HA ASP 21 -6.425 5.046 6.504 172 1HB ASP 21 2HB ASP 21 -7.050 3.399 4.084 173 2HB ASP 21 1HB ASP 21 -5.460 3.257 4.828 174 H THR 22 H THR 22 -4.271 5.569 6.341 175 HA THR 22 HA THR 22 -3.603 7.428 4.198 176 HB THR 22 HB THR 22 -1.941 8.298 5.558 177 HG1 THR 22 HG1 THR 22 -0.625 6.777 6.266 178 1HG2 THR 22 1HG2 THR 22 -3.136 8.995 7.334 179 2HG2 THR 22 2HG2 THR 22 -3.388 7.354 7.929 180 3HG2 THR 22 3HG2 THR 22 -4.423 7.999 6.655 181 H VAL 23 H VAL 23 -1.704 7.269 2.950 182 HA VAL 23 HA VAL 23 -1.137 4.814 1.831 183 HB VAL 23 HB VAL 23 0.601 7.277 1.969 184 1HG1 VAL 23 1HG1 VAL 23 1.008 4.667 0.567 185 2HG1 VAL 23 2HG1 VAL 23 2.167 5.649 1.462 186 3HG1 VAL 23 3HG1 VAL 23 1.626 6.162 -0.136 187 1HG2 VAL 23 1HG2 VAL 23 -0.164 7.456 -0.438 188 2HG2 VAL 23 2HG2 VAL 23 -1.392 7.752 0.792 189 3HG2 VAL 23 3HG2 VAL 23 -1.348 6.206 -0.057 190 H GLU 24 H GLU 24 0.476 6.445 4.515 191 HA GLU 24 HA GLU 24 2.654 4.706 4.796 192 1HB GLU 24 2HB GLU 24 2.538 6.865 5.939 193 2HB GLU 24 1HB GLU 24 1.193 6.291 6.916 194 1HG GLU 24 2HG GLU 24 3.035 4.398 7.461 195 2HG GLU 24 1HG GLU 24 4.076 5.793 7.180 196 H ASN 25 H ASN 25 -0.524 4.677 6.401 197 HA ASN 25 HA ASN 25 -0.135 2.403 7.967 198 1HB ASN 25 2HB ASN 25 -2.232 4.161 7.480 199 2HB ASN 25 1HB ASN 25 -2.852 2.607 6.928 200 1HD2 ASN 25 1HD2 ASN 25 -3.890 4.000 9.105 201 2HD2 ASN 25 2HD2 ASN 25 -3.593 3.083 10.538 202 H PHE 26 H PHE 26 -0.923 2.750 4.584 203 HA PHE 26 HA PHE 26 -1.751 0.075 4.124 204 1HB PHE 26 2HB PHE 26 -2.119 2.112 2.615 205 2HB PHE 26 1HB PHE 26 -0.463 1.869 2.070 206 HD1 PHE 26 HD1 PHE 26 -1.719 -1.277 2.833 207 HD2 PHE 26 HD2 PHE 26 -2.020 1.796 -0.108 208 HE1 PHE 26 HE1 PHE 26 -2.505 -2.935 1.187 209 HE2 PHE 26 HE2 PHE 26 -2.807 0.144 -1.759 210 HZ PHE 26 HZ PHE 26 -3.050 -2.225 -1.112 211 H LYS 27 H LYS 27 1.352 1.752 3.752 212 HA LYS 27 HA LYS 27 2.800 -0.446 2.751 213 1HB LYS 27 2HB LYS 27 3.712 1.990 4.290 214 2HB LYS 27 1HB LYS 27 4.810 0.832 3.551 215 1HG LYS 27 2HG LYS 27 3.719 1.335 1.354 216 2HG LYS 27 1HG LYS 27 2.847 2.638 2.164 217 1HD LYS 27 2HD LYS 27 5.328 3.242 2.949 218 2HD LYS 27 1HD LYS 27 5.709 2.431 1.429 219 1HE LYS 27 2HE LYS 27 4.054 3.938 0.311 220 2HE LYS 27 1HE LYS 27 3.912 4.817 1.832 221 1HZ LYS 27 1HZ LYS 27 5.920 5.774 1.572 222 2HZ LYS 27 2HZ LYS 27 5.629 5.482 -0.068 223 3HZ LYS 27 3HZ LYS 27 6.609 4.426 0.817 224 H ALA 28 H ALA 28 1.816 0.466 5.949 225 HA ALA 28 HA ALA 28 3.664 -1.165 7.379 226 1HB ALA 28 1HB ALA 28 1.567 0.667 8.008 227 2HB ALA 28 2HB ALA 28 2.850 0.051 9.049 228 3HB ALA 28 3HB ALA 28 1.323 -0.823 8.920 229 H LYS 29 H LYS 29 0.307 -1.587 6.315 230 HA LYS 29 HA LYS 29 -0.105 -4.119 7.470 231 1HB LYS 29 2HB LYS 29 -1.413 -3.396 4.882 232 2HB LYS 29 1HB LYS 29 -2.099 -4.180 6.298 233 1HG LYS 29 2HG LYS 29 -1.447 -1.712 7.270 234 2HG LYS 29 1HG LYS 29 -1.934 -1.350 5.612 235 1HD LYS 29 2HD LYS 29 -3.959 -2.889 6.151 236 2HD LYS 29 1HD LYS 29 -3.527 -2.568 7.831 237 1HE LYS 29 2HE LYS 29 -3.610 -0.120 7.281 238 2HE LYS 29 1HE LYS 29 -4.284 -0.566 5.713 239 1HZ LYS 29 1HZ LYS 29 -5.684 -0.148 8.029 240 2HZ LYS 29 2HZ LYS 29 -5.676 -1.830 7.852 241 3HZ LYS 29 3HZ LYS 29 -6.278 -0.853 6.610 242 H ILE 30 H ILE 30 1.253 -3.112 4.386 243 HA ILE 30 HA ILE 30 1.407 -5.722 3.258 244 HB ILE 30 HB ILE 30 3.025 -3.267 2.560 245 1HG1 ILE 30 2HG1 ILE 30 0.478 -4.310 1.300 246 2HG1 ILE 30 1HG1 ILE 30 0.554 -2.951 2.418 247 1HG2 ILE 30 1HG2 ILE 30 2.408 -5.315 0.532 248 2HG2 ILE 30 2HG2 ILE 30 3.562 -5.784 1.781 249 3HG2 ILE 30 3HG2 ILE 30 3.873 -4.365 0.781 250 1HD1 ILE 30 1HD1 ILE 30 1.909 -3.081 -0.265 251 2HD1 ILE 30 2HD1 ILE 30 1.925 -1.713 0.849 252 3HD1 ILE 30 3HD1 ILE 30 0.412 -2.222 0.099 253 H GLN 31 H GLN 31 3.521 -3.774 5.263 254 HA GLN 31 HA GLN 31 5.923 -5.146 4.935 255 1HB GLN 31 2HB GLN 31 5.443 -2.988 6.246 256 2HB GLN 31 1HB GLN 31 5.012 -4.044 7.585 257 1HG GLN 31 2HG GLN 31 7.619 -4.522 6.272 258 2HG GLN 31 1HG GLN 31 7.457 -3.066 7.251 259 1HE2 GLN 31 1HE2 GLN 31 8.544 -3.515 9.048 260 2HE2 GLN 31 2HE2 GLN 31 8.276 -4.887 10.063 261 H ASP 32 H ASP 32 3.332 -5.713 7.307 262 HA ASP 32 HA ASP 32 4.560 -7.960 8.509 263 1HB ASP 32 2HB ASP 32 2.449 -6.415 9.170 264 2HB ASP 32 1HB ASP 32 1.599 -7.810 8.510 265 H LYS 33 H LYS 33 3.245 -7.596 5.459 266 HA LYS 33 HA LYS 33 2.496 -10.430 5.265 267 1HB LYS 33 2HB LYS 33 1.729 -7.982 3.736 268 2HB LYS 33 1HB LYS 33 1.689 -9.536 2.914 269 1HG LYS 33 2HG LYS 33 0.331 -10.222 5.085 270 2HG LYS 33 1HG LYS 33 -0.023 -8.493 5.091 271 1HD LYS 33 2HD LYS 33 -1.374 -8.648 3.306 272 2HD LYS 33 1HD LYS 33 -0.281 -9.746 2.461 273 1HE LYS 33 2HE LYS 33 -1.463 -11.059 4.728 274 2HE LYS 33 1HE LYS 33 -2.719 -10.366 3.702 275 1HZ LYS 33 1HZ LYS 33 -0.821 -11.595 2.055 276 2HZ LYS 33 2HZ LYS 33 -2.435 -12.036 2.298 277 3HZ LYS 33 3HZ LYS 33 -1.224 -12.693 3.278 278 H GLU 34 H GLU 34 4.315 -7.930 3.487 279 HA GLU 34 HA GLU 34 5.767 -10.051 2.079 280 1HB GLU 34 2HB GLU 34 5.388 -7.115 1.568 281 2HB GLU 34 1HB GLU 34 6.677 -8.011 0.776 282 1HG GLU 34 2HG GLU 34 4.587 -7.767 -0.559 283 2HG GLU 34 1HG GLU 34 5.133 -9.428 -0.332 284 H GLY 35 H GLY 35 6.123 -7.855 4.654 285 1HA GLY 35 2HA GLY 35 7.884 -7.457 6.078 286 2HA GLY 35 1HA GLY 35 8.706 -8.808 5.312 287 H ILE 36 H ILE 36 7.707 -5.519 4.353 288 HA ILE 36 HA ILE 36 10.491 -4.985 3.589 289 HB ILE 36 HB ILE 36 8.226 -4.055 1.849 290 1HG1 ILE 36 2HG1 ILE 36 9.727 -6.669 1.742 291 2HG1 ILE 36 1HG1 ILE 36 7.984 -6.412 1.727 292 1HG2 ILE 36 1HG2 ILE 36 11.170 -4.451 1.330 293 2HG2 ILE 36 2HG2 ILE 36 10.380 -2.909 1.662 294 3HG2 ILE 36 3HG2 ILE 36 9.991 -3.801 0.191 295 1HD1 ILE 36 1HD1 ILE 36 8.924 -7.085 -0.458 296 2HD1 ILE 36 2HD1 ILE 36 9.838 -5.577 -0.488 297 3HD1 ILE 36 3HD1 ILE 36 8.075 -5.541 -0.498 298 HA PRO 37 HA PRO 37 9.791 -1.358 6.052 299 1HB PRO 37 2HB PRO 37 12.031 -0.272 4.439 300 2HB PRO 37 1HB PRO 37 11.873 -0.419 6.192 301 1HG PRO 37 2HG PRO 37 13.484 -2.043 4.813 302 2HG PRO 37 1HG PRO 37 12.550 -2.635 6.200 303 1HD PRO 37 2HD PRO 37 12.042 -2.998 3.276 304 2HD PRO 37 1HD PRO 37 11.816 -4.145 4.612 305 HA PRO 38 HA PRO 38 7.146 1.072 3.436 306 1HB PRO 38 2HB PRO 38 7.824 3.185 5.427 307 2HB PRO 38 1HB PRO 38 6.241 2.644 4.855 308 1HG PRO 38 2HG PRO 38 7.134 1.928 7.261 309 2HG PRO 38 1HG PRO 38 6.226 0.789 6.251 310 1HD PRO 38 2HD PRO 38 9.153 0.905 6.817 311 2HD PRO 38 1HD PRO 38 8.104 -0.506 6.575 312 H ASP 39 H ASP 39 10.207 2.354 4.646 313 HA ASP 39 HA ASP 39 10.458 4.517 2.877 314 1HB ASP 39 2HB ASP 39 11.913 3.605 4.977 315 2HB ASP 39 1HB ASP 39 12.956 3.133 3.639 316 H GLN 40 H GLN 40 10.530 1.201 2.260 317 HA GLN 40 HA GLN 40 11.849 1.667 -0.334 318 1HB GLN 40 2HB GLN 40 11.953 -0.724 1.491 319 2HB GLN 40 1HB GLN 40 12.330 -0.857 -0.221 320 1HG GLN 40 2HG GLN 40 13.970 1.104 0.272 321 2HG GLN 40 1HG GLN 40 13.813 0.560 1.942 322 1HE2 GLN 40 1HE2 GLN 40 13.931 -1.214 -1.122 323 2HE2 GLN 40 2HE2 GLN 40 15.295 -2.188 -0.708 324 H GLN 41 H GLN 41 8.932 1.418 0.926 325 HA GLN 41 HA GLN 41 7.862 -0.501 -1.012 326 1HB GLN 41 2HB GLN 41 6.805 0.738 1.500 327 2HB GLN 41 1HB GLN 41 5.679 0.111 0.306 328 1HG GLN 41 2HG GLN 41 7.173 -2.026 0.451 329 2HG GLN 41 1HG GLN 41 7.641 -1.343 2.007 330 1HE2 GLN 41 1HE2 GLN 41 6.623 -2.535 3.467 331 2HE2 GLN 41 2HE2 GLN 41 4.927 -2.863 3.491 332 H ARG 42 H ARG 42 7.351 0.299 -2.932 333 HA ARG 42 HA ARG 42 6.257 3.030 -3.081 334 1HB ARG 42 2HB ARG 42 8.457 2.503 -4.260 335 2HB ARG 42 1HB ARG 42 7.513 1.509 -5.360 336 1HG ARG 42 2HG ARG 42 6.420 3.336 -6.279 337 2HG ARG 42 1HG ARG 42 6.789 4.374 -4.898 338 1HD ARG 42 2HD ARG 42 8.440 5.186 -6.166 339 2HD ARG 42 1HD ARG 42 9.280 3.680 -5.796 340 HE ARG 42 HE ARG 42 7.707 3.144 -7.993 341 1HH1 ARG 42 2HH1 ARG 42 10.287 5.345 -7.201 342 2HH1 ARG 42 1HH1 ARG 42 10.895 5.420 -8.821 343 1HH2 ARG 42 1HH2 ARG 42 8.499 3.235 -10.131 344 2HH2 ARG 42 2HH2 ARG 42 9.878 4.221 -10.487 345 H LEU 43 H LEU 43 4.106 2.970 -3.239 346 HA LEU 43 HA LEU 43 2.838 0.773 -4.704 347 1HB LEU 43 2HB LEU 43 1.384 2.862 -3.114 348 2HB LEU 43 1HB LEU 43 0.855 1.246 -3.536 349 HG LEU 43 HG LEU 43 2.832 2.064 -1.426 350 1HD1 LEU 43 1HD1 LEU 43 0.914 1.939 -0.273 351 2HD1 LEU 43 2HD1 LEU 43 1.171 0.197 -0.369 352 3HD1 LEU 43 3HD1 LEU 43 0.104 0.996 -1.523 353 1HD2 LEU 43 1HD2 LEU 43 2.336 -0.747 -2.396 354 2HD2 LEU 43 2HD2 LEU 43 3.420 -0.243 -1.099 355 3HD2 LEU 43 3HD2 LEU 43 3.776 0.201 -2.768 356 H ILE 44 H ILE 44 2.440 1.132 -6.780 357 HA ILE 44 HA ILE 44 1.794 3.870 -7.649 358 HB ILE 44 HB ILE 44 2.598 1.610 -9.468 359 1HG1 ILE 44 2HG1 ILE 44 4.394 1.908 -7.838 360 2HG1 ILE 44 1HG1 ILE 44 4.889 2.526 -9.411 361 1HG2 ILE 44 1HG2 ILE 44 3.415 3.729 -10.759 362 2HG2 ILE 44 2HG2 ILE 44 2.256 4.561 -9.722 363 3HG2 ILE 44 3HG2 ILE 44 1.713 3.269 -10.792 364 1HD1 ILE 44 1HD1 ILE 44 4.660 3.888 -6.873 365 2HD1 ILE 44 2HD1 ILE 44 3.794 4.726 -8.160 366 3HD1 ILE 44 3HD1 ILE 44 5.510 4.364 -8.342 367 H PHE 45 H PHE 45 -0.322 4.198 -7.831 368 HA PHE 45 HA PHE 45 -1.981 2.035 -8.953 369 1HB PHE 45 2HB PHE 45 -2.692 2.322 -6.708 370 2HB PHE 45 1HB PHE 45 -2.621 4.078 -6.829 371 HD1 PHE 45 HD1 PHE 45 -4.281 1.330 -8.748 372 HD2 PHE 45 HD2 PHE 45 -4.673 5.082 -6.760 373 HE1 PHE 45 HE1 PHE 45 -6.676 1.386 -9.332 374 HE2 PHE 45 HE2 PHE 45 -7.068 5.144 -7.340 375 HZ PHE 45 HZ PHE 45 -8.071 3.294 -8.628 376 H ALA 46 H ALA 46 -3.112 2.473 -10.746 377 HA ALA 46 HA ALA 46 -3.617 3.592 -12.684 378 1HB ALA 46 1HB ALA 46 -5.546 4.608 -12.259 379 2HB ALA 46 2HB ALA 46 -4.730 5.938 -11.438 380 3HB ALA 46 3HB ALA 46 -5.167 4.483 -10.542 381 H GLY 47 H GLY 47 -1.050 3.969 -12.504 382 1HA GLY 47 2HA GLY 47 0.721 5.365 -12.955 383 2HA GLY 47 1HA GLY 47 -0.463 6.281 -13.876 384 H LYS 48 H LYS 48 -0.432 5.783 -10.382 385 HA LYS 48 HA LYS 48 0.437 8.537 -9.959 386 1HB LYS 48 2HB LYS 48 -2.259 7.436 -9.241 387 2HB LYS 48 1HB LYS 48 -1.531 8.693 -8.251 388 1HG LYS 48 2HG LYS 48 -1.415 10.175 -10.159 389 2HG LYS 48 1HG LYS 48 -2.051 8.908 -11.210 390 1HD LYS 48 2HD LYS 48 -4.133 8.888 -9.923 391 2HD LYS 48 1HD LYS 48 -3.496 10.152 -8.870 392 1HE LYS 48 2HE LYS 48 -5.040 10.969 -10.658 393 2HE LYS 48 1HE LYS 48 -3.447 11.724 -10.662 394 1HZ LYS 48 1HZ LYS 48 -4.316 11.042 -12.888 395 2HZ LYS 48 2HZ LYS 48 -4.152 9.430 -12.401 396 3HZ LYS 48 3HZ LYS 48 -2.788 10.424 -12.505 397 H GLN 49 H GLN 49 2.067 8.364 -8.579 398 HA GLN 49 HA GLN 49 2.456 6.124 -6.882 399 1HB GLN 49 2HB GLN 49 4.319 7.460 -7.781 400 2HB GLN 49 1HB GLN 49 3.799 8.833 -6.814 401 1HG GLN 49 2HG GLN 49 4.239 7.576 -4.775 402 2HG GLN 49 1HG GLN 49 4.736 6.183 -5.735 403 1HE2 GLN 49 1HE2 GLN 49 6.254 7.324 -7.676 404 2HE2 GLN 49 2HE2 GLN 49 7.652 8.063 -6.980 405 H LEU 50 H LEU 50 2.064 5.831 -4.746 406 HA LEU 50 HA LEU 50 0.212 7.684 -3.493 407 1HB LEU 50 2HB LEU 50 1.056 4.871 -3.029 408 2HB LEU 50 1HB LEU 50 0.454 5.773 -1.653 409 HG LEU 50 HG LEU 50 -1.683 6.043 -2.620 410 1HD1 LEU 50 1HD1 LEU 50 -2.088 5.139 -4.983 411 2HD1 LEU 50 2HD1 LEU 50 -0.338 5.245 -5.179 412 3HD1 LEU 50 3HD1 LEU 50 -1.276 6.696 -4.823 413 1HD2 LEU 50 1HD2 LEU 50 -2.366 3.928 -2.376 414 2HD2 LEU 50 2HD2 LEU 50 -0.666 3.570 -2.079 415 3HD2 LEU 50 3HD2 LEU 50 -1.345 3.345 -3.690 416 H GLU 51 H GLU 51 0.783 9.164 -2.053 417 HA GLU 51 HA GLU 51 3.489 9.053 -0.924 418 1HB GLU 51 2HB GLU 51 1.619 11.415 -0.846 419 2HB GLU 51 1HB GLU 51 3.363 11.406 -0.625 420 1HG GLU 51 2HG GLU 51 2.951 10.329 -3.160 421 2HG GLU 51 1HG GLU 51 1.816 11.672 -3.037 422 H ASP 52 H ASP 52 3.829 9.561 1.315 423 HA ASP 52 HA ASP 52 1.969 8.273 3.034 424 1HB ASP 52 2HB ASP 52 4.531 9.783 3.493 425 2HB ASP 52 1HB ASP 52 3.563 9.191 4.839 426 H GLY 53 H GLY 53 1.762 11.257 1.692 427 1HA GLY 53 2HA GLY 53 0.616 12.513 4.090 428 2HA GLY 53 1HA GLY 53 1.087 13.357 2.623 429 H ARG 54 H ARG 54 -0.303 10.869 1.282 430 HA ARG 54 HA ARG 54 -2.973 12.103 1.307 431 1HB ARG 54 2HB ARG 54 -1.289 11.490 -0.818 432 2HB ARG 54 1HB ARG 54 -2.483 10.201 -0.840 433 1HG ARG 54 2HG ARG 54 -3.568 11.696 -2.145 434 2HG ARG 54 1HG ARG 54 -4.142 12.259 -0.573 435 1HD ARG 54 2HD ARG 54 -2.055 13.783 -0.623 436 2HD ARG 54 1HD ARG 54 -2.041 13.441 -2.352 437 HE ARG 54 HE ARG 54 -3.769 14.903 -2.582 438 1HH1 ARG 54 2HH1 ARG 54 -3.713 13.778 0.713 439 2HH1 ARG 54 1HH1 ARG 54 -4.998 14.820 1.228 440 1HH2 ARG 54 1HH2 ARG 54 -5.461 16.279 -1.916 441 2HH2 ARG 54 2HH2 ARG 54 -5.991 16.242 -0.268 442 H THR 55 H THR 55 -4.648 10.322 0.437 443 HA THR 55 HA THR 55 -4.259 7.836 1.950 444 HB THR 55 HB THR 55 -6.668 8.000 2.697 445 HG1 THR 55 HG1 THR 55 -6.608 10.754 2.565 446 1HG2 THR 55 1HG2 THR 55 -4.327 9.301 3.758 447 2HG2 THR 55 2HG2 THR 55 -5.627 8.472 4.612 448 3HG2 THR 55 3HG2 THR 55 -5.783 10.183 4.216 449 H LEU 56 H LEU 56 -6.067 6.238 1.437 450 HA LEU 56 HA LEU 56 -6.066 5.623 -1.262 451 1HB LEU 56 2HB LEU 56 -8.282 4.820 0.610 452 2HB LEU 56 1HB LEU 56 -7.670 3.938 -0.777 453 HG LEU 56 HG LEU 56 -6.457 4.230 1.948 454 1HD1 LEU 56 1HD1 LEU 56 -7.107 1.930 0.119 455 2HD1 LEU 56 2HD1 LEU 56 -7.843 2.320 1.673 456 3HD1 LEU 56 3HD1 LEU 56 -6.172 1.762 1.605 457 1HD2 LEU 56 1HD2 LEU 56 -4.680 4.852 0.428 458 2HD2 LEU 56 2HD2 LEU 56 -5.006 3.436 -0.572 459 3HD2 LEU 56 3HD2 LEU 56 -4.388 3.234 1.067 460 H SER 57 H SER 57 -8.637 7.190 0.627 461 HA SER 57 HA SER 57 -10.488 7.494 -1.439 462 1HB SER 57 2HB SER 57 -11.454 9.309 -0.047 463 2HB SER 57 1HB SER 57 -11.096 7.860 0.892 464 HG SER 57 HG SER 57 -9.064 8.944 1.432 465 H ASP 58 H ASP 58 -7.791 9.544 -0.448 466 HA ASP 58 HA ASP 58 -8.328 11.773 -2.036 467 1HB ASP 58 2HB ASP 58 -5.707 10.602 -1.095 468 2HB ASP 58 1HB ASP 58 -5.826 12.148 -1.931 469 H TYR 59 H TYR 59 -7.077 8.645 -2.872 470 HA TYR 59 HA TYR 59 -6.378 9.566 -5.566 471 1HB TYR 59 2HB TYR 59 -5.803 6.996 -4.090 472 2HB TYR 59 1HB TYR 59 -5.451 7.220 -5.800 473 HD1 TYR 59 HD1 TYR 59 -3.881 7.055 -2.821 474 HD2 TYR 59 HD2 TYR 59 -4.270 9.773 -6.082 475 HE1 TYR 59 HE1 TYR 59 -1.709 8.060 -2.235 476 HE2 TYR 59 HE2 TYR 59 -2.099 10.786 -5.505 477 HH TYR 59 HH TYR 59 0.091 9.818 -4.176 478 H ASN 60 H ASN 60 -9.114 8.838 -4.187 479 HA ASN 60 HA ASN 60 -11.102 7.909 -4.794 480 1HB ASN 60 2HB ASN 60 -9.814 8.611 -7.408 481 2HB ASN 60 1HB ASN 60 -11.360 7.768 -7.399 482 1HD2 ASN 60 1HD2 ASN 60 -13.144 8.931 -7.203 483 2HD2 ASN 60 2HD2 ASN 60 -13.213 10.595 -6.741 484 H ILE 61 H ILE 61 -9.483 5.984 -3.888 485 HA ILE 61 HA ILE 61 -9.281 3.830 -5.823 486 HB ILE 61 HB ILE 61 -8.726 3.773 -2.855 487 1HG1 ILE 61 2HG1 ILE 61 -6.923 4.310 -5.220 488 2HG1 ILE 61 1HG1 ILE 61 -7.251 5.378 -3.858 489 1HG2 ILE 61 1HG2 ILE 61 -7.598 1.906 -4.909 490 2HG2 ILE 61 2HG2 ILE 61 -9.170 1.603 -4.168 491 3HG2 ILE 61 3HG2 ILE 61 -7.724 1.696 -3.162 492 1HD1 ILE 61 1HD1 ILE 61 -6.230 3.433 -2.458 493 2HD1 ILE 61 2HD1 ILE 61 -5.184 4.566 -3.315 494 3HD1 ILE 61 3HD1 ILE 61 -5.508 2.974 -4.001 495 H GLN 62 H GLN 62 -10.520 1.982 -5.872 496 HA GLN 62 HA GLN 62 -13.037 2.117 -4.384 497 1HB GLN 62 2HB GLN 62 -12.382 0.245 -6.655 498 2HB GLN 62 1HB GLN 62 -13.970 0.700 -6.052 499 1HG GLN 62 2HG GLN 62 -12.396 2.973 -6.960 500 2HG GLN 62 1HG GLN 62 -12.696 1.781 -8.222 501 1HE2 GLN 62 1HE2 GLN 62 -13.727 4.370 -8.270 502 2HE2 GLN 62 2HE2 GLN 62 -15.447 4.282 -8.132 503 H LYS 63 H LYS 63 -13.978 -0.209 -3.982 504 HA LYS 63 HA LYS 63 -12.188 -1.452 -2.112 505 1HB LYS 63 2HB LYS 63 -14.132 -2.929 -1.633 506 2HB LYS 63 1HB LYS 63 -14.499 -1.215 -1.493 507 1HG LYS 63 2HG LYS 63 -15.057 -2.003 -4.157 508 2HG LYS 63 1HG LYS 63 -15.790 -3.185 -3.070 509 1HD LYS 63 2HD LYS 63 -17.011 -1.490 -1.924 510 2HD LYS 63 1HD LYS 63 -16.122 -0.208 -2.751 511 1HE LYS 63 2HE LYS 63 -17.120 -1.536 -4.870 512 2HE LYS 63 1HE LYS 63 -18.380 -1.867 -3.682 513 1HZ LYS 63 1HZ LYS 63 -18.152 0.389 -5.192 514 2HZ LYS 63 2HZ LYS 63 -17.570 0.877 -3.680 515 3HZ LYS 63 3HZ LYS 63 -19.119 0.211 -3.814 516 H GLU 64 H GLU 64 -12.407 -1.764 -5.366 517 HA GLU 64 HA GLU 64 -11.518 -4.565 -5.250 518 1HB GLU 64 2HB GLU 64 -13.528 -3.288 -7.048 519 2HB GLU 64 1HB GLU 64 -12.504 -4.554 -7.710 520 1HG GLU 64 2HG GLU 64 -13.716 -5.215 -5.130 521 2HG GLU 64 1HG GLU 64 -14.872 -4.954 -6.437 522 H SER 65 H SER 65 -10.424 -1.610 -5.615 523 HA SER 65 HA SER 65 -9.080 -1.652 -8.118 524 1HB SER 65 2HB SER 65 -8.198 -0.096 -5.688 525 2HB SER 65 1HB SER 65 -7.966 0.316 -7.387 526 HG SER 65 HG SER 65 -9.902 1.144 -7.444 527 H THR 66 H THR 66 -6.800 -1.858 -8.484 528 HA THR 66 HA THR 66 -5.489 -3.689 -6.581 529 HB THR 66 HB THR 66 -5.100 -3.592 -9.579 530 HG1 THR 66 HG1 THR 66 -6.928 -4.695 -9.455 531 1HG2 THR 66 1HG2 THR 66 -3.475 -5.165 -9.373 532 2HG2 THR 66 2HG2 THR 66 -4.214 -5.898 -7.949 533 3HG2 THR 66 3HG2 THR 66 -3.274 -4.413 -7.790 534 H ILE 67 H ILE 67 -3.394 -3.294 -6.000 535 HA ILE 67 HA ILE 67 -2.143 -0.878 -7.133 536 HB ILE 67 HB ILE 67 -1.993 -1.839 -4.274 537 1HG1 ILE 67 2HG1 ILE 67 -2.997 0.660 -4.132 538 2HG1 ILE 67 1HG1 ILE 67 -3.657 0.167 -5.689 539 1HG2 ILE 67 1HG2 ILE 67 0.101 -0.843 -4.983 540 2HG2 ILE 67 2HG2 ILE 67 -0.740 0.233 -3.867 541 3HG2 ILE 67 3HG2 ILE 67 -0.757 0.570 -5.598 542 1HD1 ILE 67 1HD1 ILE 67 -5.337 -0.545 -4.360 543 2HD1 ILE 67 2HD1 ILE 67 -4.282 -0.797 -2.970 544 3HD1 ILE 67 3HD1 ILE 67 -4.319 -1.983 -4.275 545 H HIS 68 H HIS 68 0.056 -0.919 -7.508 546 HA HIS 68 HA HIS 68 1.273 -3.589 -7.452 547 1HB HIS 68 2HB HIS 68 1.836 -1.137 -9.118 548 2HB HIS 68 1HB HIS 68 2.918 -2.526 -9.082 549 HD1 HIS 68 HD1 HIS 68 2.091 -4.703 -10.224 550 HD2 HIS 68 HD2 HIS 68 -0.532 -1.496 -10.552 551 HE1 HIS 68 HE1 HIS 68 0.421 -5.377 -11.979 552 HE2 HIS 68 HE2 HIS 68 -1.169 -3.429 -12.147 553 H LEU 69 H LEU 69 3.121 -4.007 -6.366 554 HA LEU 69 HA LEU 69 4.155 -1.863 -4.653 555 1HB LEU 69 2HB LEU 69 3.389 -3.897 -3.531 556 2HB LEU 69 1HB LEU 69 4.504 -4.858 -4.484 557 HG LEU 69 HG LEU 69 6.275 -3.199 -3.372 558 1HD1 LEU 69 1HD1 LEU 69 3.868 -3.134 -1.603 559 2HD1 LEU 69 2HD1 LEU 69 4.972 -1.831 -2.045 560 3HD1 LEU 69 3HD1 LEU 69 5.486 -3.074 -0.903 561 1HD2 LEU 69 1HD2 LEU 69 6.836 -4.945 -1.894 562 2HD2 LEU 69 2HD2 LEU 69 6.078 -5.729 -3.281 563 3HD2 LEU 69 3HD2 LEU 69 5.165 -5.500 -1.788 564 H VAL 70 H VAL 70 6.141 -1.048 -4.913 565 HA VAL 70 HA VAL 70 8.089 -2.535 -6.530 566 HB VAL 70 HB VAL 70 8.163 0.370 -6.958 567 1HG1 VAL 70 1HG1 VAL 70 9.033 -2.025 -8.211 568 2HG1 VAL 70 2HG1 VAL 70 9.418 -0.358 -8.636 569 3HG1 VAL 70 3HG1 VAL 70 8.013 -1.147 -9.351 570 1HG2 VAL 70 1HG2 VAL 70 6.313 0.511 -8.466 571 2HG2 VAL 70 2HG2 VAL 70 5.707 -0.082 -6.920 572 3HG2 VAL 70 3HG2 VAL 70 5.947 -1.203 -8.261 573 H LEU 71 H LEU 71 10.027 -2.619 -5.601 574 HA LEU 71 HA LEU 71 10.544 -1.461 -3.091 575 1HB LEU 71 2HB LEU 71 11.767 -3.349 -4.777 576 2HB LEU 71 1HB LEU 71 12.975 -2.113 -4.492 577 HG LEU 71 HG LEU 71 12.085 -2.518 -1.963 578 1HD1 LEU 71 1HD1 LEU 71 10.881 -4.579 -3.328 579 2HD1 LEU 71 2HD1 LEU 71 11.197 -4.530 -1.593 580 3HD1 LEU 71 3HD1 LEU 71 12.339 -5.327 -2.675 581 1HD2 LEU 71 1HD2 LEU 71 14.134 -3.640 -1.579 582 2HD2 LEU 71 2HD2 LEU 71 14.422 -2.507 -2.900 583 3HD2 LEU 71 3HD2 LEU 71 14.206 -4.224 -3.242 584 H ARG 72 H ARG 72 11.168 0.523 -2.559 585 HA ARG 72 HA ARG 72 12.073 2.330 -4.671 586 1HB ARG 72 2HB ARG 72 10.265 3.214 -3.402 587 2HB ARG 72 1HB ARG 72 11.035 2.789 -1.879 588 1HG ARG 72 2HG ARG 72 11.310 5.098 -2.062 589 2HG ARG 72 1HG ARG 72 12.870 4.428 -2.540 590 1HD ARG 72 2HD ARG 72 12.685 5.184 -4.646 591 2HD ARG 72 1HD ARG 72 10.975 4.765 -4.748 592 HE ARG 72 HE ARG 72 12.030 7.325 -4.270 593 1HH1 ARG 72 2HH1 ARG 72 9.511 5.205 -3.134 594 2HH1 ARG 72 1HH1 ARG 72 8.461 6.496 -2.656 595 1HH2 ARG 72 1HH2 ARG 72 10.654 9.033 -3.643 596 2HH2 ARG 72 2HH2 ARG 72 9.110 8.673 -2.947 597 H LEU 73 H LEU 73 14.194 2.430 -4.980 598 HA LEU 73 HA LEU 73 16.414 2.746 -4.582 599 1HB LEU 73 2HB LEU 73 15.128 4.025 -2.432 600 2HB LEU 73 1HB LEU 73 16.424 3.083 -1.723 601 HG LEU 73 HG LEU 73 16.592 5.374 -3.642 602 1HD1 LEU 73 1HD1 LEU 73 16.752 5.557 -1.102 603 2HD1 LEU 73 2HD1 LEU 73 18.034 6.306 -2.053 604 3HD1 LEU 73 3HD1 LEU 73 18.313 4.754 -1.265 605 1HD2 LEU 73 1HD2 LEU 73 18.052 4.144 -4.848 606 2HD2 LEU 73 2HD2 LEU 73 18.358 3.012 -3.530 607 3HD2 LEU 73 3HD2 LEU 73 19.153 4.586 -3.544 608 H ARG 74 H ARG 74 18.008 1.290 -4.366 609 HA ARG 74 HA ARG 74 17.618 -1.332 -3.748 610 1HB ARG 74 2HB ARG 74 19.831 0.289 -4.376 611 2HB ARG 74 1HB ARG 74 20.283 -0.597 -2.925 612 1HG ARG 74 2HG ARG 74 20.083 -2.663 -3.972 613 2HG ARG 74 1HG ARG 74 19.093 -2.010 -5.279 614 1HD ARG 74 2HD ARG 74 21.334 -2.494 -6.078 615 2HD ARG 74 1HD ARG 74 21.033 -0.757 -6.108 616 HE ARG 74 HE ARG 74 22.758 -0.497 -4.646 617 1HH1 ARG 74 2HH1 ARG 74 21.615 -3.779 -4.430 618 2HH1 ARG 74 1HH1 ARG 74 22.857 -4.278 -3.330 619 1HH2 ARG 74 1HH2 ARG 74 24.398 -1.140 -3.198 620 2HH2 ARG 74 2HH2 ARG 74 24.439 -2.776 -2.628 621 H GLY 75 H GLY 75 18.374 -2.673 -1.955 622 1HA GLY 75 2HA GLY 75 17.858 -1.335 0.621 623 2HA GLY 75 1HA GLY 75 17.568 -3.036 0.290 624 H GLY 76 HN GLY 76 18.804 -3.846 1.953 625 1HA GLY 76 2HA GLY 76 21.492 -4.364 1.490 626 2HA GLY 76 1HA GLY 76 21.436 -2.957 2.542 Start of MODEL 3 1 2H MET 1 2H MET 1 -12.505 -1.523 3.390 2 3H MET 1 3H MET 1 -12.884 -3.162 3.567 3 1H MET 1 1H MET 1 -14.113 -2.035 3.278 4 HA MET 1 HA MET 1 -13.823 -3.027 1.231 5 1HB MET 1 2HB MET 1 -13.237 -1.246 -0.129 6 2HB MET 1 1HB MET 1 -13.546 -0.436 1.399 7 1HG MET 1 2HG MET 1 -11.565 0.512 1.145 8 2HG MET 1 1HG MET 1 -10.875 -1.056 1.551 9 1HE MET 1 1HE MET 1 -9.703 1.238 -1.854 10 2HE MET 1 2HE MET 1 -10.246 1.646 -0.227 11 3HE MET 1 3HE MET 1 -11.413 1.540 -1.545 12 H GLN 2 H GLN 2 -12.674 -4.318 -0.125 13 HA GLN 2 HA GLN 2 -9.985 -5.055 0.776 14 1HB GLN 2 2HB GLN 2 -12.102 -6.456 -0.821 15 2HB GLN 2 1HB GLN 2 -10.430 -6.994 -0.904 16 1HG GLN 2 2HG GLN 2 -10.402 -7.408 1.470 17 2HG GLN 2 1HG GLN 2 -12.033 -6.757 1.631 18 1HE2 GLN 2 1HE2 GLN 2 -13.505 -8.261 1.863 19 2HE2 GLN 2 2HE2 GLN 2 -13.489 -9.832 1.145 20 H VAL 3 H VAL 3 -8.269 -5.362 -0.719 21 HA VAL 3 HA VAL 3 -8.597 -4.130 -3.355 22 HB VAL 3 HB VAL 3 -6.693 -2.706 -3.122 23 1HG1 VAL 3 1HG1 VAL 3 -8.738 -1.727 -2.319 24 2HG1 VAL 3 2HG1 VAL 3 -7.413 -1.202 -1.282 25 3HG1 VAL 3 3HG1 VAL 3 -8.517 -2.463 -0.733 26 1HG2 VAL 3 1HG2 VAL 3 -5.422 -4.304 -1.656 27 2HG2 VAL 3 2HG2 VAL 3 -6.345 -3.675 -0.292 28 3HG2 VAL 3 3HG2 VAL 3 -5.284 -2.604 -1.206 29 H PHE 4 H PHE 4 -6.732 -4.549 -4.790 30 HA PHE 4 HA PHE 4 -5.441 -7.109 -4.109 31 1HB PHE 4 2HB PHE 4 -6.142 -6.069 -6.862 32 2HB PHE 4 1HB PHE 4 -5.445 -7.641 -6.486 33 HD1 PHE 4 HD1 PHE 4 -6.798 -9.356 -5.341 34 HD2 PHE 4 HD2 PHE 4 -8.473 -5.651 -6.627 35 HE1 PHE 4 HE1 PHE 4 -9.061 -10.310 -5.130 36 HE2 PHE 4 HE2 PHE 4 -10.739 -6.598 -6.417 37 HZ PHE 4 HZ PHE 4 -11.034 -8.930 -5.667 38 H LEU 5 H LEU 5 -3.315 -7.011 -3.838 39 HA LEU 5 HA LEU 5 -1.832 -4.835 -5.157 40 1HB LEU 5 2HB LEU 5 -2.002 -5.145 -2.534 41 2HB LEU 5 1HB LEU 5 -0.719 -6.307 -2.816 42 HG LEU 5 HG LEU 5 0.247 -4.173 -4.183 43 1HD1 LEU 5 1HD1 LEU 5 -1.881 -3.024 -3.004 44 2HD1 LEU 5 2HD1 LEU 5 -0.386 -2.166 -3.377 45 3HD1 LEU 5 3HD1 LEU 5 -0.664 -2.786 -1.749 46 1HD2 LEU 5 1HD2 LEU 5 1.798 -5.042 -2.797 47 2HD2 LEU 5 2HD2 LEU 5 0.637 -5.320 -1.498 48 3HD2 LEU 5 3HD2 LEU 5 1.309 -3.709 -1.750 49 H LYS 6 H LYS 6 -0.102 -5.311 -6.410 50 HA LYS 6 HA LYS 6 0.549 -8.165 -6.740 51 1HB LYS 6 2HB LYS 6 1.292 -6.213 -8.851 52 2HB LYS 6 1HB LYS 6 0.735 -7.874 -9.000 53 1HG LYS 6 2HG LYS 6 -1.467 -6.578 -7.991 54 2HG LYS 6 1HG LYS 6 -0.763 -5.385 -9.085 55 1HD LYS 6 2HD LYS 6 -1.317 -8.248 -9.849 56 2HD LYS 6 1HD LYS 6 -2.435 -6.915 -10.147 57 1HE LYS 6 2HE LYS 6 -0.541 -5.780 -11.383 58 2HE LYS 6 1HE LYS 6 0.325 -7.312 -11.280 59 1HZ LYS 6 1HZ LYS 6 -0.698 -7.691 -13.227 60 2HZ LYS 6 2HZ LYS 6 -1.931 -6.569 -12.942 61 3HZ LYS 6 3HZ LYS 6 -2.020 -8.115 -12.261 62 H THR 7 H THR 7 2.650 -8.836 -6.691 63 HA THR 7 HA THR 7 4.608 -6.853 -5.766 64 HB THR 7 HB THR 7 5.643 -8.474 -4.543 65 HG1 THR 7 HG1 THR 7 5.083 -10.840 -5.419 66 1HG2 THR 7 1HG2 THR 7 2.925 -9.736 -4.921 67 2HG2 THR 7 2HG2 THR 7 3.311 -8.440 -3.789 68 3HG2 THR 7 3HG2 THR 7 4.028 -10.037 -3.578 69 H LEU 8 H LEU 8 6.954 -8.182 -6.317 70 HA LEU 8 HA LEU 8 7.337 -7.515 -9.067 71 1HB LEU 8 2HB LEU 8 9.365 -9.042 -7.494 72 2HB LEU 8 1HB LEU 8 9.604 -7.769 -8.676 73 HG LEU 8 HG LEU 8 8.907 -7.539 -5.775 74 1HD1 LEU 8 1HD1 LEU 8 10.631 -5.521 -6.801 75 2HD1 LEU 8 2HD1 LEU 8 11.188 -7.090 -7.385 76 3HD1 LEU 8 3HD1 LEU 8 10.995 -6.810 -5.655 77 1HD2 LEU 8 1HD2 LEU 8 7.350 -6.009 -6.282 78 2HD2 LEU 8 2HD2 LEU 8 7.894 -5.865 -7.954 79 3HD2 LEU 8 3HD2 LEU 8 8.722 -4.974 -6.677 80 H THR 9 H THR 9 6.088 -10.228 -7.646 81 HA THR 9 HA THR 9 7.219 -12.084 -9.610 82 HB THR 9 HB THR 9 6.292 -13.870 -8.324 83 HG1 THR 9 HG1 THR 9 4.923 -13.424 -6.522 84 1HG2 THR 9 1HG2 THR 9 8.278 -13.241 -7.291 85 2HG2 THR 9 2HG2 THR 9 7.128 -13.217 -5.956 86 3HG2 THR 9 3HG2 THR 9 7.615 -11.708 -6.726 87 H GLY 10 H GLY 10 4.327 -10.327 -8.878 88 1HA GLY 10 2HA GLY 10 2.655 -9.913 -10.507 89 2HA GLY 10 1HA GLY 10 3.114 -11.401 -11.319 90 H LYS 11 H LYS 11 2.626 -11.314 -7.873 91 HA LYS 11 HA LYS 11 0.364 -13.134 -8.190 92 1HB LYS 11 2HB LYS 11 0.696 -13.695 -5.858 93 2HB LYS 11 1HB LYS 11 2.236 -13.776 -6.701 94 1HG LYS 11 2HG LYS 11 3.103 -12.427 -5.182 95 2HG LYS 11 1HG LYS 11 2.002 -11.154 -5.712 96 1HD LYS 11 2HD LYS 11 1.753 -11.494 -3.335 97 2HD LYS 11 1HD LYS 11 0.292 -12.038 -4.161 98 1HE LYS 11 2HE LYS 11 0.843 -13.661 -2.497 99 2HE LYS 11 1HE LYS 11 1.197 -14.360 -4.078 100 1HZ LYS 11 1HZ LYS 11 2.912 -14.634 -2.225 101 2HZ LYS 11 2HZ LYS 11 3.302 -13.013 -2.507 102 3HZ LYS 11 3HZ LYS 11 3.470 -14.150 -3.747 103 H THR 12 H THR 12 -1.559 -12.865 -6.869 104 HA THR 12 HA THR 12 -2.183 -10.018 -6.447 105 HB THR 12 HB THR 12 -4.237 -12.185 -6.838 106 HG1 THR 12 HG1 THR 12 -3.286 -12.299 -8.772 107 1HG2 THR 12 1HG2 THR 12 -4.334 -9.215 -7.368 108 2HG2 THR 12 2HG2 THR 12 -4.939 -9.992 -5.904 109 3HG2 THR 12 3HG2 THR 12 -5.678 -10.353 -7.465 110 H VAL 13 H VAL 13 -2.424 -9.381 -4.420 111 HA VAL 13 HA VAL 13 -3.152 -11.383 -2.383 112 HB VAL 13 HB VAL 13 -2.178 -9.566 -0.795 113 1HG1 VAL 13 1HG1 VAL 13 0.055 -10.553 -0.999 114 2HG1 VAL 13 2HG1 VAL 13 -0.386 -11.221 -2.570 115 3HG1 VAL 13 3HG1 VAL 13 -1.209 -11.778 -1.113 116 1HG2 VAL 13 1HG2 VAL 13 -1.936 -8.084 -2.997 117 2HG2 VAL 13 2HG2 VAL 13 -0.362 -8.878 -3.031 118 3HG2 VAL 13 3HG2 VAL 13 -0.840 -7.930 -1.623 119 H THR 14 H THR 14 -4.764 -10.912 -0.900 120 HA THR 14 HA THR 14 -6.451 -8.607 -1.603 121 HB THR 14 HB THR 14 -8.055 -10.147 -0.031 122 HG1 THR 14 HG1 THR 14 -6.440 -11.820 -0.003 123 1HG2 THR 14 1HG2 THR 14 -8.158 -11.069 -2.777 124 2HG2 THR 14 2HG2 THR 14 -7.948 -9.320 -2.684 125 3HG2 THR 14 3HG2 THR 14 -9.315 -10.090 -1.875 126 H ILE 15 H ILE 15 -5.850 -6.967 -0.302 127 HA ILE 15 HA ILE 15 -5.562 -7.495 2.577 128 HB ILE 15 HB ILE 15 -4.706 -5.089 0.961 129 1HG1 ILE 15 2HG1 ILE 15 -3.198 -7.400 2.184 130 2HG1 ILE 15 1HG1 ILE 15 -3.235 -6.908 0.493 131 1HG2 ILE 15 1HG2 ILE 15 -5.460 -4.755 3.400 132 2HG2 ILE 15 2HG2 ILE 15 -3.901 -4.097 2.903 133 3HG2 ILE 15 3HG2 ILE 15 -3.972 -5.603 3.817 134 1HD1 ILE 15 1HD1 ILE 15 -2.266 -4.806 2.241 135 2HD1 ILE 15 2HD1 ILE 15 -1.559 -5.482 0.774 136 3HD1 ILE 15 3HD1 ILE 15 -1.295 -6.276 2.327 137 H GLU 16 H GLU 16 -6.797 -6.401 4.087 138 HA GLU 16 HA GLU 16 -9.198 -5.120 3.009 139 1HB GLU 16 2HB GLU 16 -9.747 -6.909 4.455 140 2HB GLU 16 1HB GLU 16 -8.564 -6.407 5.654 141 1HG GLU 16 2HG GLU 16 -9.957 -4.314 5.951 142 2HG GLU 16 1HG GLU 16 -11.198 -5.129 5.000 143 H VAL 17 H VAL 17 -9.512 -3.021 3.150 144 HA VAL 17 HA VAL 17 -8.250 -1.485 5.294 145 HB VAL 17 HB VAL 17 -7.295 0.146 3.904 146 1HG1 VAL 17 1HG1 VAL 17 -5.725 -1.052 2.516 147 2HG1 VAL 17 2HG1 VAL 17 -6.785 -2.460 2.478 148 3HG1 VAL 17 3HG1 VAL 17 -6.025 -1.969 3.991 149 1HG2 VAL 17 1HG2 VAL 17 -8.893 0.637 2.290 150 2HG2 VAL 17 2HG2 VAL 17 -8.998 -1.037 1.742 151 3HG2 VAL 17 3HG2 VAL 17 -7.580 -0.066 1.345 152 H GLU 18 H GLU 18 -9.136 0.829 5.285 153 HA GLU 18 HA GLU 18 -11.977 0.759 4.500 154 1HB GLU 18 2HB GLU 18 -10.646 1.737 7.001 155 2HB GLU 18 1HB GLU 18 -12.175 2.440 6.489 156 1HG GLU 18 2HG GLU 18 -13.283 0.744 7.366 157 2HG GLU 18 1HG GLU 18 -12.384 -0.397 6.366 158 HA PRO 19 HA PRO 19 -11.073 4.186 1.824 159 1HB PRO 19 2HB PRO 19 -13.904 4.855 2.485 160 2HB PRO 19 1HB PRO 19 -13.116 4.733 0.908 161 1HG PRO 19 2HG PRO 19 -14.733 2.800 1.776 162 2HG PRO 19 1HG PRO 19 -13.257 2.417 0.871 163 1HD PRO 19 2HD PRO 19 -13.816 2.157 3.788 164 2HD PRO 19 1HD PRO 19 -12.808 1.144 2.736 165 H SER 20 H SER 20 -9.678 5.270 3.259 166 HA SER 20 HA SER 20 -9.978 7.800 3.895 167 1HB SER 20 2HB SER 20 -10.670 7.708 6.427 168 2HB SER 20 1HB SER 20 -11.909 7.751 5.174 169 HG SER 20 HG SER 20 -11.642 5.954 7.038 170 H ASP 21 H ASP 21 -8.467 4.895 4.436 171 HA ASP 21 HA ASP 21 -6.788 5.606 6.634 172 1HB ASP 21 2HB ASP 21 -6.896 3.377 4.647 173 2HB ASP 21 1HB ASP 21 -5.396 3.635 5.531 174 H THR 22 H THR 22 -4.446 5.892 6.466 175 HA THR 22 HA THR 22 -3.786 7.592 4.175 176 HB THR 22 HB THR 22 -1.853 8.334 5.552 177 HG1 THR 22 HG1 THR 22 -1.447 6.706 6.953 178 1HG2 THR 22 1HG2 THR 22 -3.245 9.477 7.333 179 2HG2 THR 22 2HG2 THR 22 -4.620 8.555 6.724 180 3HG2 THR 22 3HG2 THR 22 -3.790 9.700 5.671 181 H VAL 23 H VAL 23 -1.699 7.423 3.153 182 HA VAL 23 HA VAL 23 -1.048 4.877 2.275 183 HB VAL 23 HB VAL 23 0.598 7.403 2.308 184 1HG1 VAL 23 1HG1 VAL 23 1.255 4.847 0.850 185 2HG1 VAL 23 2HG1 VAL 23 2.074 5.413 2.307 186 3HG1 VAL 23 3HG1 VAL 23 2.173 6.353 0.817 187 1HG2 VAL 23 1HG2 VAL 23 -1.252 7.621 0.861 188 2HG2 VAL 23 2HG2 VAL 23 -1.056 5.982 0.238 189 3HG2 VAL 23 3HG2 VAL 23 0.118 7.229 -0.178 190 H GLU 24 H GLU 24 0.288 6.747 4.949 191 HA GLU 24 HA GLU 24 2.508 5.241 5.595 192 1HB GLU 24 2HB GLU 24 0.658 7.004 7.079 193 2HB GLU 24 1HB GLU 24 1.584 5.882 8.068 194 1HG GLU 24 2HG GLU 24 3.465 6.934 6.344 195 2HG GLU 24 1HG GLU 24 2.423 8.305 6.719 196 H ASN 25 H ASN 25 -0.856 4.737 6.617 197 HA ASN 25 HA ASN 25 -0.315 2.398 8.136 198 1HB ASN 25 2HB ASN 25 -2.320 3.504 8.686 199 2HB ASN 25 1HB ASN 25 -2.823 3.620 7.003 200 1HD2 ASN 25 1HD2 ASN 25 -4.070 2.071 6.168 201 2HD2 ASN 25 2HD2 ASN 25 -4.532 0.623 6.989 202 H PHE 26 H PHE 26 -1.015 3.023 4.779 203 HA PHE 26 HA PHE 26 -1.673 0.368 4.030 204 1HB PHE 26 2HB PHE 26 -2.174 2.437 2.689 205 2HB PHE 26 1HB PHE 26 -0.465 2.515 2.277 206 HD1 PHE 26 HD1 PHE 26 -1.638 -0.829 2.589 207 HD2 PHE 26 HD2 PHE 26 -1.450 2.484 -0.088 208 HE1 PHE 26 HE1 PHE 26 -2.030 -2.349 0.687 209 HE2 PHE 26 HE2 PHE 26 -1.843 0.971 -1.994 210 HZ PHE 26 HZ PHE 26 -2.134 -1.447 -1.606 211 H LYS 27 H LYS 27 1.344 2.233 3.937 212 HA LYS 27 HA LYS 27 2.906 0.112 2.853 213 1HB LYS 27 2HB LYS 27 4.030 2.380 4.475 214 2HB LYS 27 1HB LYS 27 4.765 1.529 3.125 215 1HG LYS 27 2HG LYS 27 2.339 2.742 2.242 216 2HG LYS 27 1HG LYS 27 3.319 3.943 3.086 217 1HD LYS 27 2HD LYS 27 4.425 2.137 0.948 218 2HD LYS 27 1HD LYS 27 3.729 3.720 0.600 219 1HE LYS 27 2HE LYS 27 5.391 4.513 2.468 220 2HE LYS 27 1HE LYS 27 6.239 3.024 2.054 221 1HZ LYS 27 1HZ LYS 27 5.595 4.282 -0.336 222 2HZ LYS 27 2HZ LYS 27 7.129 4.088 0.350 223 3HZ LYS 27 3HZ LYS 27 6.227 5.481 0.678 224 H ALA 28 H ALA 28 2.066 1.155 6.084 225 HA ALA 28 HA ALA 28 4.006 -0.344 7.493 226 1HB ALA 28 1HB ALA 28 1.756 1.322 8.129 227 2HB ALA 28 2HB ALA 28 3.159 0.914 9.117 228 3HB ALA 28 3HB ALA 28 1.738 -0.131 9.128 229 H LYS 29 H LYS 29 0.723 -1.063 6.407 230 HA LYS 29 HA LYS 29 0.509 -3.576 7.699 231 1HB LYS 29 2HB LYS 29 -0.944 -2.263 5.422 232 2HB LYS 29 1HB LYS 29 -1.268 -3.941 5.837 233 1HG LYS 29 2HG LYS 29 -2.289 -3.405 7.803 234 2HG LYS 29 1HG LYS 29 -1.352 -1.925 8.015 235 1HD LYS 29 2HD LYS 29 -2.748 -0.685 6.690 236 2HD LYS 29 1HD LYS 29 -3.243 -2.077 5.725 237 1HE LYS 29 2HE LYS 29 -4.059 -1.596 8.587 238 2HE LYS 29 1HE LYS 29 -5.043 -1.185 7.181 239 1HZ LYS 29 1HZ LYS 29 -4.194 -3.891 8.049 240 2HZ LYS 29 2HZ LYS 29 -4.924 -3.578 6.556 241 3HZ LYS 29 3HZ LYS 29 -5.770 -3.277 7.989 242 H ILE 30 H ILE 30 1.344 -2.658 4.368 243 HA ILE 30 HA ILE 30 1.731 -5.200 3.315 244 HB ILE 30 HB ILE 30 3.287 -2.701 2.635 245 1HG1 ILE 30 2HG1 ILE 30 0.885 -3.785 1.175 246 2HG1 ILE 30 1HG1 ILE 30 0.716 -2.653 2.514 247 1HG2 ILE 30 1HG2 ILE 30 3.239 -5.421 1.520 248 2HG2 ILE 30 2HG2 ILE 30 4.487 -4.178 1.435 249 3HG2 ILE 30 3HG2 ILE 30 3.109 -4.119 0.337 250 1HD1 ILE 30 1HD1 ILE 30 0.749 -1.166 0.821 251 2HD1 ILE 30 2HD1 ILE 30 1.702 -2.213 -0.231 252 3HD1 ILE 30 3HD1 ILE 30 2.490 -1.305 1.060 253 H GLN 31 H GLN 31 3.896 -3.187 5.228 254 HA GLN 31 HA GLN 31 6.276 -4.587 4.890 255 1HB GLN 31 2HB GLN 31 6.171 -2.442 6.048 256 2HB GLN 31 1HB GLN 31 5.249 -3.170 7.356 257 1HG GLN 31 2HG GLN 31 7.308 -4.738 7.575 258 2HG GLN 31 1HG GLN 31 8.140 -3.463 6.685 259 1HE2 GLN 31 1HE2 GLN 31 9.448 -3.184 8.565 260 2HE2 GLN 31 2HE2 GLN 31 8.862 -2.269 9.908 261 H ASP 32 H ASP 32 3.689 -5.090 7.261 262 HA ASP 32 HA ASP 32 4.941 -7.332 8.499 263 1HB ASP 32 2HB ASP 32 2.677 -5.720 8.991 264 2HB ASP 32 1HB ASP 32 2.081 -7.370 8.822 265 H LYS 33 H LYS 33 3.441 -6.964 5.526 266 HA LYS 33 HA LYS 33 2.420 -9.694 5.411 267 1HB LYS 33 2HB LYS 33 2.153 -7.257 3.719 268 2HB LYS 33 1HB LYS 33 1.971 -8.823 2.939 269 1HG LYS 33 2HG LYS 33 0.451 -8.625 5.406 270 2HG LYS 33 1HG LYS 33 -0.004 -7.401 4.219 271 1HD LYS 33 2HD LYS 33 -0.880 -8.921 2.797 272 2HD LYS 33 1HD LYS 33 0.357 -10.126 3.160 273 1HE LYS 33 2HE LYS 33 -1.921 -10.795 3.880 274 2HE LYS 33 1HE LYS 33 -0.755 -10.731 5.201 275 1HZ LYS 33 1HZ LYS 33 -3.085 -9.058 4.699 276 2HZ LYS 33 2HZ LYS 33 -1.727 -8.281 5.341 277 3HZ LYS 33 3HZ LYS 33 -2.423 -9.583 6.166 278 H GLU 34 H GLU 34 4.868 -7.662 3.840 279 HA GLU 34 HA GLU 34 6.026 -10.090 2.646 280 1HB GLU 34 2HB GLU 34 6.272 -7.183 1.871 281 2HB GLU 34 1HB GLU 34 7.261 -8.456 1.167 282 1HG GLU 34 2HG GLU 34 4.736 -9.449 0.852 283 2HG GLU 34 1HG GLU 34 4.490 -7.718 0.635 284 H GLY 35 H GLY 35 6.443 -7.911 5.154 285 1HA GLY 35 2HA GLY 35 8.116 -7.724 6.722 286 2HA GLY 35 1HA GLY 35 8.938 -9.052 5.918 287 H ILE 36 H ILE 36 8.073 -6.258 4.071 288 HA ILE 36 HA ILE 36 10.918 -5.503 3.965 289 HB ILE 36 HB ILE 36 8.757 -5.062 1.901 290 1HG1 ILE 36 2HG1 ILE 36 11.148 -6.916 1.965 291 2HG1 ILE 36 1HG1 ILE 36 9.451 -7.387 1.986 292 1HG2 ILE 36 1HG2 ILE 36 11.001 -3.528 2.324 293 2HG2 ILE 36 2HG2 ILE 36 10.098 -3.649 0.814 294 3HG2 ILE 36 3HG2 ILE 36 11.517 -4.663 1.076 295 1HD1 ILE 36 1HD1 ILE 36 10.280 -7.758 -0.202 296 2HD1 ILE 36 2HD1 ILE 36 10.976 -6.140 -0.280 297 3HD1 ILE 36 3HD1 ILE 36 9.225 -6.347 -0.272 298 HA PRO 37 HA PRO 37 9.939 -1.721 6.058 299 1HB PRO 37 2HB PRO 37 12.217 -0.678 4.457 300 2HB PRO 37 1HB PRO 37 11.959 -0.641 6.205 301 1HG PRO 37 2HG PRO 37 13.715 -2.327 5.113 302 2HG PRO 37 1HG PRO 37 12.715 -2.813 6.495 303 1HD PRO 37 2HD PRO 37 12.436 -3.520 3.605 304 2HD PRO 37 1HD PRO 37 12.135 -4.513 5.046 305 HA PRO 38 HA PRO 38 7.545 0.576 3.133 306 1HB PRO 38 2HB PRO 38 7.426 2.970 4.449 307 2HB PRO 38 1HB PRO 38 6.456 1.562 4.892 308 1HG PRO 38 2HG PRO 38 9.009 2.562 6.096 309 2HG PRO 38 1HG PRO 38 7.556 1.944 6.905 310 1HD PRO 38 2HD PRO 38 9.758 0.428 6.575 311 2HD PRO 38 1HD PRO 38 8.124 -0.265 6.510 312 H ASP 39 H ASP 39 10.607 1.796 4.307 313 HA ASP 39 HA ASP 39 10.928 3.998 2.615 314 1HB ASP 39 2HB ASP 39 12.395 3.063 4.608 315 2HB ASP 39 1HB ASP 39 13.291 2.299 3.298 316 H GLN 40 H GLN 40 10.820 0.688 1.875 317 HA GLN 40 HA GLN 40 11.983 1.215 -0.782 318 1HB GLN 40 2HB GLN 40 12.078 -1.277 0.912 319 2HB GLN 40 1HB GLN 40 12.405 -1.304 -0.816 320 1HG GLN 40 2HG GLN 40 14.197 0.393 -0.414 321 2HG GLN 40 1HG GLN 40 13.939 0.159 1.314 322 1HE2 GLN 40 1HE2 GLN 40 16.388 -0.301 0.519 323 2HE2 GLN 40 2HE2 GLN 40 16.739 -1.989 0.418 324 H GLN 41 H GLN 41 9.151 1.189 0.524 325 HA GLN 41 HA GLN 41 7.860 -0.719 -1.285 326 1HB GLN 41 2HB GLN 41 6.973 0.755 1.170 327 2HB GLN 41 1HB GLN 41 5.777 0.128 0.045 328 1HG GLN 41 2HG GLN 41 6.751 -2.123 0.317 329 2HG GLN 41 1HG GLN 41 7.862 -1.465 1.519 330 1HE2 GLN 41 1HE2 GLN 41 7.212 -2.308 3.383 331 2HE2 GLN 41 2HE2 GLN 41 5.605 -2.226 4.014 332 H ARG 42 H ARG 42 7.561 0.101 -3.258 333 HA ARG 42 HA ARG 42 6.582 2.869 -3.488 334 1HB ARG 42 2HB ARG 42 8.770 1.825 -4.685 335 2HB ARG 42 1HB ARG 42 7.556 1.472 -5.907 336 1HG ARG 42 2HG ARG 42 7.225 4.162 -5.010 337 2HG ARG 42 1HG ARG 42 8.913 3.892 -5.452 338 1HD ARG 42 2HD ARG 42 8.209 3.019 -7.622 339 2HD ARG 42 1HD ARG 42 6.520 3.272 -7.181 340 HE ARG 42 HE ARG 42 6.780 5.534 -7.555 341 1HH1 ARG 42 2HH1 ARG 42 9.872 3.937 -7.655 342 2HH1 ARG 42 1HH1 ARG 42 10.704 5.305 -8.318 343 1HH2 ARG 42 1HH2 ARG 42 7.863 7.341 -8.432 344 2HH2 ARG 42 2HH2 ARG 42 9.560 7.239 -8.760 345 H LEU 43 H LEU 43 4.425 2.833 -3.580 346 HA LEU 43 HA LEU 43 3.094 0.719 -5.110 347 1HB LEU 43 2HB LEU 43 1.622 2.774 -3.517 348 2HB LEU 43 1HB LEU 43 1.174 1.117 -3.872 349 HG LEU 43 HG LEU 43 3.380 1.917 -1.974 350 1HD1 LEU 43 1HD1 LEU 43 1.855 1.314 -0.191 351 2HD1 LEU 43 2HD1 LEU 43 0.590 0.955 -1.365 352 3HD1 LEU 43 3HD1 LEU 43 1.165 2.610 -1.168 353 1HD2 LEU 43 1HD2 LEU 43 3.126 -0.470 -1.245 354 2HD2 LEU 43 2HD2 LEU 43 3.809 -0.250 -2.857 355 3HD2 LEU 43 3HD2 LEU 43 2.121 -0.727 -2.672 356 H ILE 44 H ILE 44 2.240 1.093 -7.043 357 HA ILE 44 HA ILE 44 1.807 3.889 -7.869 358 HB ILE 44 HB ILE 44 2.763 1.600 -9.591 359 1HG1 ILE 44 2HG1 ILE 44 4.110 3.889 -8.231 360 2HG1 ILE 44 1HG1 ILE 44 4.685 2.247 -8.497 361 1HG2 ILE 44 1HG2 ILE 44 2.409 4.484 -10.379 362 2HG2 ILE 44 2HG2 ILE 44 1.201 3.236 -10.686 363 3HG2 ILE 44 3HG2 ILE 44 2.801 3.116 -11.421 364 1HD1 ILE 44 1HD1 ILE 44 6.029 3.692 -9.798 365 2HD1 ILE 44 2HD1 ILE 44 4.616 4.509 -10.466 366 3HD1 ILE 44 3HD1 ILE 44 4.961 2.838 -10.912 367 H PHE 45 H PHE 45 -0.261 4.317 -8.238 368 HA PHE 45 HA PHE 45 -1.956 2.217 -9.404 369 1HB PHE 45 2HB PHE 45 -2.716 2.157 -7.205 370 2HB PHE 45 1HB PHE 45 -2.466 3.883 -6.964 371 HD1 PHE 45 HD1 PHE 45 -4.377 1.911 -9.496 372 HD2 PHE 45 HD2 PHE 45 -4.457 4.909 -6.465 373 HE1 PHE 45 HE1 PHE 45 -6.761 2.320 -9.969 374 HE2 PHE 45 HE2 PHE 45 -6.842 5.323 -6.931 375 HZ PHE 45 HZ PHE 45 -7.996 4.027 -8.685 376 H ALA 46 H ALA 46 -3.154 2.849 -11.093 377 HA ALA 46 HA ALA 46 -3.787 4.168 -12.852 378 1HB ALA 46 1HB ALA 46 -5.704 4.849 -11.921 379 2HB ALA 46 2HB ALA 46 -4.891 6.402 -11.734 380 3HB ALA 46 3HB ALA 46 -4.928 5.258 -10.392 381 H GLY 47 H GLY 47 -1.095 4.462 -12.442 382 1HA GLY 47 2HA GLY 47 0.666 5.836 -12.974 383 2HA GLY 47 1HA GLY 47 -0.521 6.855 -13.775 384 H LYS 48 H LYS 48 -0.527 6.106 -10.343 385 HA LYS 48 HA LYS 48 0.482 8.786 -9.730 386 1HB LYS 48 2HB LYS 48 -2.134 7.658 -8.718 387 2HB LYS 48 1HB LYS 48 -1.369 9.113 -8.093 388 1HG LYS 48 2HG LYS 48 -1.655 9.214 -10.969 389 2HG LYS 48 1HG LYS 48 -3.202 8.954 -10.161 390 1HD LYS 48 2HD LYS 48 -2.471 10.877 -8.611 391 2HD LYS 48 1HD LYS 48 -1.278 11.235 -9.861 392 1HE LYS 48 2HE LYS 48 -2.836 12.367 -10.967 393 2HE LYS 48 1HE LYS 48 -3.724 10.861 -11.191 394 1HZ LYS 48 1HZ LYS 48 -5.315 11.711 -9.930 395 2HZ LYS 48 2HZ LYS 48 -4.396 13.090 -9.593 396 3HZ LYS 48 3HZ LYS 48 -4.256 11.720 -8.610 397 H GLN 49 H GLN 49 2.045 8.612 -8.280 398 HA GLN 49 HA GLN 49 2.460 6.187 -6.807 399 1HB GLN 49 2HB GLN 49 4.279 7.674 -7.749 400 2HB GLN 49 1HB GLN 49 3.919 8.805 -6.451 401 1HG GLN 49 2HG GLN 49 4.284 6.198 -5.349 402 2HG GLN 49 1HG GLN 49 5.644 6.585 -6.401 403 1HE2 GLN 49 1HE2 GLN 49 5.377 6.358 -3.444 404 2HE2 GLN 49 2HE2 GLN 49 6.002 7.845 -2.824 405 H LEU 50 H LEU 50 2.149 5.784 -4.668 406 HA LEU 50 HA LEU 50 0.364 7.577 -3.254 407 1HB LEU 50 2HB LEU 50 1.474 4.879 -2.477 408 2HB LEU 50 1HB LEU 50 0.256 5.764 -1.581 409 HG LEU 50 HG LEU 50 -0.002 4.402 -4.242 410 1HD1 LEU 50 1HD1 LEU 50 -0.611 3.648 -1.671 411 2HD1 LEU 50 2HD1 LEU 50 -1.288 2.950 -3.142 412 3HD1 LEU 50 3HD1 LEU 50 -2.155 4.230 -2.293 413 1HD2 LEU 50 1HD2 LEU 50 -2.381 5.473 -4.116 414 2HD2 LEU 50 2HD2 LEU 50 -1.042 6.359 -4.844 415 3HD2 LEU 50 3HD2 LEU 50 -1.548 6.725 -3.195 416 H GLU 51 H GLU 51 0.986 9.029 -1.798 417 HA GLU 51 HA GLU 51 3.716 8.844 -0.717 418 1HB GLU 51 2HB GLU 51 1.881 11.231 -0.998 419 2HB GLU 51 1HB GLU 51 3.474 11.276 -0.255 420 1HG GLU 51 2HG GLU 51 4.489 10.611 -2.369 421 2HG GLU 51 1HG GLU 51 2.893 10.550 -3.118 422 H ASP 52 H ASP 52 4.101 9.017 1.480 423 HA ASP 52 HA ASP 52 2.094 8.044 3.215 424 1HB ASP 52 2HB ASP 52 4.864 9.126 3.627 425 2HB ASP 52 1HB ASP 52 3.841 8.743 5.007 426 H GLY 53 H GLY 53 0.745 10.056 2.262 427 1HA GLY 53 2HA GLY 53 0.391 11.797 4.550 428 2HA GLY 53 1HA GLY 53 0.869 12.610 3.070 429 H ARG 54 H ARG 54 -0.721 10.594 1.457 430 HA ARG 54 HA ARG 54 -3.299 11.929 1.834 431 1HB ARG 54 2HB ARG 54 -2.049 10.497 -0.503 432 2HB ARG 54 1HB ARG 54 -3.755 10.925 -0.475 433 1HG ARG 54 2HG ARG 54 -3.007 13.307 -0.049 434 2HG ARG 54 1HG ARG 54 -1.380 12.760 -0.462 435 1HD ARG 54 2HD ARG 54 -2.016 12.202 -2.661 436 2HD ARG 54 1HD ARG 54 -3.733 12.303 -2.274 437 HE ARG 54 HE ARG 54 -2.641 14.814 -1.811 438 1HH1 ARG 54 2HH1 ARG 54 -3.124 12.651 -4.497 439 2HH1 ARG 54 1HH1 ARG 54 -3.259 13.923 -5.665 440 1HH2 ARG 54 1HH2 ARG 54 -2.815 16.497 -3.341 441 2HH2 ARG 54 2HH2 ARG 54 -3.081 16.109 -5.008 442 H THR 55 H THR 55 -5.203 10.465 1.027 443 HA THR 55 HA THR 55 -4.975 7.881 2.431 444 HB THR 55 HB THR 55 -7.090 8.108 3.342 445 HG1 THR 55 HG1 THR 55 -8.623 9.656 2.486 446 1HG2 THR 55 1HG2 THR 55 -7.264 10.340 4.320 447 2HG2 THR 55 2HG2 THR 55 -6.138 10.965 3.116 448 3HG2 THR 55 3HG2 THR 55 -5.588 9.792 4.311 449 H LEU 56 H LEU 56 -6.172 6.112 1.609 450 HA LEU 56 HA LEU 56 -6.035 5.631 -1.076 451 1HB LEU 56 2HB LEU 56 -8.147 4.490 0.754 452 2HB LEU 56 1HB LEU 56 -7.556 3.774 -0.733 453 HG LEU 56 HG LEU 56 -6.174 3.984 1.921 454 1HD1 LEU 56 1HD1 LEU 56 -7.640 2.019 1.161 455 2HD1 LEU 56 2HD1 LEU 56 -6.039 1.663 1.809 456 3HD1 LEU 56 3HD1 LEU 56 -6.310 1.635 0.067 457 1HD2 LEU 56 1HD2 LEU 56 -4.962 4.045 -0.759 458 2HD2 LEU 56 2HD2 LEU 56 -4.288 2.858 0.358 459 3HD2 LEU 56 3HD2 LEU 56 -4.314 4.566 0.796 460 H SER 57 H SER 57 -8.753 7.002 0.716 461 HA SER 57 HA SER 57 -10.606 7.063 -1.394 462 1HB SER 57 2HB SER 57 -11.843 8.661 -0.049 463 2HB SER 57 1HB SER 57 -11.172 7.420 1.010 464 HG SER 57 HG SER 57 -10.378 10.099 0.682 465 H ASP 58 H ASP 58 -8.032 9.253 -0.455 466 HA ASP 58 HA ASP 58 -8.739 11.449 -2.057 467 1HB ASP 58 2HB ASP 58 -5.968 10.545 -1.245 468 2HB ASP 58 1HB ASP 58 -6.406 12.154 -1.810 469 H TYR 59 H TYR 59 -7.316 8.392 -2.822 470 HA TYR 59 HA TYR 59 -6.555 9.308 -5.499 471 1HB TYR 59 2HB TYR 59 -6.052 6.661 -4.120 472 2HB TYR 59 1HB TYR 59 -5.462 7.105 -5.717 473 HD1 TYR 59 HD1 TYR 59 -3.670 8.769 -5.966 474 HD2 TYR 59 HD2 TYR 59 -5.015 7.522 -2.118 475 HE1 TYR 59 HE1 TYR 59 -1.641 9.731 -4.952 476 HE2 TYR 59 HE2 TYR 59 -2.991 8.482 -1.093 477 HH TYR 59 HH TYR 59 -0.511 10.092 -3.074 478 H ASN 60 H ASN 60 -9.309 8.435 -4.153 479 HA ASN 60 HA ASN 60 -11.262 7.509 -4.853 480 1HB ASN 60 2HB ASN 60 -9.975 7.825 -7.573 481 2HB ASN 60 1HB ASN 60 -11.685 7.512 -7.287 482 1HD2 ASN 60 1HD2 ASN 60 -9.109 9.795 -6.463 483 2HD2 ASN 60 2HD2 ASN 60 -10.118 11.197 -6.451 484 H ILE 61 H ILE 61 -9.454 5.655 -3.913 485 HA ILE 61 HA ILE 61 -9.271 3.456 -5.785 486 HB ILE 61 HB ILE 61 -8.619 3.582 -2.839 487 1HG1 ILE 61 2HG1 ILE 61 -6.719 3.463 -5.183 488 2HG1 ILE 61 1HG1 ILE 61 -7.240 4.981 -4.456 489 1HG2 ILE 61 1HG2 ILE 61 -7.408 1.475 -4.470 490 2HG2 ILE 61 2HG2 ILE 61 -9.152 1.321 -4.258 491 3HG2 ILE 61 3HG2 ILE 61 -8.094 1.403 -2.849 492 1HD1 ILE 61 1HD1 ILE 61 -5.856 4.755 -2.726 493 2HD1 ILE 61 2HD1 ILE 61 -5.041 3.555 -3.729 494 3HD1 ILE 61 3HD1 ILE 61 -6.227 3.043 -2.527 495 H GLN 62 H GLN 62 -10.610 1.740 -5.939 496 HA GLN 62 HA GLN 62 -12.999 1.759 -4.244 497 1HB GLN 62 2HB GLN 62 -12.555 0.131 -6.745 498 2HB GLN 62 1HB GLN 62 -14.083 0.492 -5.952 499 1HG GLN 62 2HG GLN 62 -14.319 2.179 -7.360 500 2HG GLN 62 1HG GLN 62 -12.986 2.978 -6.528 501 1HE2 GLN 62 1HE2 GLN 62 -11.778 3.872 -8.047 502 2HE2 GLN 62 2HE2 GLN 62 -11.182 3.077 -9.461 503 H LYS 63 H LYS 63 -13.945 -0.618 -4.058 504 HA LYS 63 HA LYS 63 -12.086 -2.028 -2.395 505 1HB LYS 63 2HB LYS 63 -14.628 -3.346 -3.116 506 2HB LYS 63 1HB LYS 63 -13.900 -3.087 -1.537 507 1HG LYS 63 2HG LYS 63 -14.576 -0.670 -1.750 508 2HG LYS 63 1HG LYS 63 -15.520 -1.149 -3.162 509 1HD LYS 63 2HD LYS 63 -15.881 -2.667 -0.627 510 2HD LYS 63 1HD LYS 63 -16.600 -1.061 -0.757 511 1HE LYS 63 2HE LYS 63 -17.392 -2.073 -3.100 512 2HE LYS 63 1HE LYS 63 -17.271 -3.571 -2.179 513 1HZ LYS 63 1HZ LYS 63 -18.877 -1.188 -1.430 514 2HZ LYS 63 2HZ LYS 63 -18.737 -2.597 -0.505 515 3HZ LYS 63 3HZ LYS 63 -19.484 -2.652 -2.021 516 H GLU 64 H GLU 64 -12.293 -1.965 -5.640 517 HA GLU 64 HA GLU 64 -11.342 -4.736 -5.855 518 1HB GLU 64 2HB GLU 64 -12.828 -3.522 -8.143 519 2HB GLU 64 1HB GLU 64 -12.635 -5.214 -7.708 520 1HG GLU 64 2HG GLU 64 -14.250 -5.045 -5.983 521 2HG GLU 64 1HG GLU 64 -14.292 -3.287 -6.108 522 H SER 65 H SER 65 -10.270 -1.816 -5.817 523 HA SER 65 HA SER 65 -9.004 -1.521 -8.376 524 1HB SER 65 2HB SER 65 -8.886 -0.071 -5.757 525 2HB SER 65 1HB SER 65 -7.621 0.212 -6.954 526 HG SER 65 HG SER 65 -9.004 1.236 -8.187 527 H THR 66 H THR 66 -6.781 -1.719 -8.838 528 HA THR 66 HA THR 66 -5.328 -3.517 -7.008 529 HB THR 66 HB THR 66 -4.754 -3.396 -9.953 530 HG1 THR 66 HG1 THR 66 -6.549 -5.286 -8.847 531 1HG2 THR 66 1HG2 THR 66 -3.255 -4.560 -8.267 532 2HG2 THR 66 2HG2 THR 66 -3.808 -5.543 -9.624 533 3HG2 THR 66 3HG2 THR 66 -4.567 -5.717 -8.042 534 H ILE 67 H ILE 67 -3.207 -3.091 -6.549 535 HA ILE 67 HA ILE 67 -2.077 -0.621 -7.697 536 HB ILE 67 HB ILE 67 -1.629 -1.580 -4.871 537 1HG1 ILE 67 2HG1 ILE 67 -3.354 0.739 -5.752 538 2HG1 ILE 67 1HG1 ILE 67 -4.002 -0.853 -5.370 539 1HG2 ILE 67 1HG2 ILE 67 -0.914 0.971 -6.305 540 2HG2 ILE 67 2HG2 ILE 67 0.195 -0.259 -5.700 541 3HG2 ILE 67 3HG2 ILE 67 -0.741 0.718 -4.569 542 1HD1 ILE 67 1HD1 ILE 67 -2.576 -0.381 -3.143 543 2HD1 ILE 67 2HD1 ILE 67 -4.274 0.051 -3.338 544 3HD1 ILE 67 3HD1 ILE 67 -3.020 1.266 -3.591 545 H HIS 68 H HIS 68 0.166 -0.559 -8.014 546 HA HIS 68 HA HIS 68 1.401 -3.210 -8.207 547 1HB HIS 68 2HB HIS 68 2.143 -0.577 -9.498 548 2HB HIS 68 1HB HIS 68 3.030 -2.081 -9.716 549 HD1 HIS 68 HD1 HIS 68 2.294 -3.519 -11.603 550 HD2 HIS 68 HD2 HIS 68 -0.623 -0.774 -10.497 551 HE1 HIS 68 HE1 HIS 68 0.460 -3.764 -13.305 552 HE2 HIS 68 HE2 HIS 68 -1.321 -2.134 -12.584 553 H LEU 69 H LEU 69 3.021 -3.803 -6.923 554 HA LEU 69 HA LEU 69 4.190 -1.780 -5.145 555 1HB LEU 69 2HB LEU 69 3.153 -3.553 -3.933 556 2HB LEU 69 1HB LEU 69 3.937 -4.772 -4.920 557 HG LEU 69 HG LEU 69 6.143 -3.894 -3.963 558 1HD1 LEU 69 1HD1 LEU 69 5.619 -1.857 -2.982 559 2HD1 LEU 69 2HD1 LEU 69 5.729 -2.949 -1.601 560 3HD1 LEU 69 3HD1 LEU 69 4.149 -2.483 -2.233 561 1HD2 LEU 69 1HD2 LEU 69 5.650 -5.114 -1.736 562 2HD2 LEU 69 2HD2 LEU 69 5.517 -6.010 -3.250 563 3HD2 LEU 69 3HD2 LEU 69 4.064 -5.418 -2.443 564 H VAL 70 H VAL 70 6.229 -1.162 -5.424 565 HA VAL 70 HA VAL 70 8.058 -2.955 -6.880 566 HB VAL 70 HB VAL 70 8.570 -0.070 -7.188 567 1HG1 VAL 70 1HG1 VAL 70 8.875 -2.585 -8.711 568 2HG1 VAL 70 2HG1 VAL 70 9.996 -1.241 -8.502 569 3HG1 VAL 70 3HG1 VAL 70 8.666 -1.108 -9.653 570 1HG2 VAL 70 1HG2 VAL 70 6.851 -0.267 -9.222 571 2HG2 VAL 70 2HG2 VAL 70 6.394 0.380 -7.647 572 3HG2 VAL 70 3HG2 VAL 70 6.017 -1.294 -8.056 573 H LEU 71 H LEU 71 10.066 -3.175 -6.049 574 HA LEU 71 HA LEU 71 10.571 -2.412 -3.390 575 1HB LEU 71 2HB LEU 71 11.882 -3.948 -5.446 576 2HB LEU 71 1HB LEU 71 13.049 -2.951 -4.599 577 HG LEU 71 HG LEU 71 11.199 -4.988 -3.360 578 1HD1 LEU 71 1HD1 LEU 71 13.419 -5.557 -4.679 579 2HD1 LEU 71 2HD1 LEU 71 12.983 -6.393 -3.188 580 3HD1 LEU 71 3HD1 LEU 71 14.159 -5.079 -3.151 581 1HD2 LEU 71 1HD2 LEU 71 11.355 -3.328 -1.733 582 2HD2 LEU 71 2HD2 LEU 71 13.026 -2.945 -2.148 583 3HD2 LEU 71 3HD2 LEU 71 12.648 -4.452 -1.312 584 H ARG 72 H ARG 72 11.470 -0.980 -6.465 585 HA ARG 72 HA ARG 72 12.324 1.057 -7.006 586 1HB ARG 72 2HB ARG 72 10.615 1.881 -5.409 587 2HB ARG 72 1HB ARG 72 11.794 1.750 -4.111 588 1HG ARG 72 2HG ARG 72 12.906 3.292 -6.243 589 2HG ARG 72 1HG ARG 72 11.320 3.935 -5.812 590 1HD ARG 72 2HD ARG 72 12.664 3.319 -3.402 591 2HD ARG 72 1HD ARG 72 13.803 4.192 -4.425 592 HE ARG 72 HE ARG 72 11.355 5.218 -3.260 593 1HH1 ARG 72 2HH1 ARG 72 13.915 5.675 -5.576 594 2HH1 ARG 72 1HH1 ARG 72 13.672 7.386 -5.702 595 1HH2 ARG 72 1HH2 ARG 72 11.027 7.470 -3.417 596 2HH2 ARG 72 2HH2 ARG 72 12.031 8.406 -4.474 597 H LEU 73 H LEU 73 14.407 1.276 -7.445 598 HA LEU 73 HA LEU 73 16.670 1.363 -7.241 599 1HB LEU 73 2HB LEU 73 15.624 2.722 -5.008 600 2HB LEU 73 1HB LEU 73 16.926 1.720 -4.397 601 HG LEU 73 HG LEU 73 17.631 3.198 -6.827 602 1HD1 LEU 73 1HD1 LEU 73 16.190 4.588 -4.797 603 2HD1 LEU 73 2HD1 LEU 73 16.934 5.224 -6.266 604 3HD1 LEU 73 3HD1 LEU 73 17.872 5.121 -4.776 605 1HD2 LEU 73 1HD2 LEU 73 19.495 3.858 -5.099 606 2HD2 LEU 73 2HD2 LEU 73 19.444 2.243 -5.807 607 3HD2 LEU 73 3HD2 LEU 73 18.814 2.513 -4.183 608 H ARG 74 H ARG 74 18.254 -0.128 -7.058 609 HA ARG 74 HA ARG 74 19.372 -2.019 -6.449 610 1HB ARG 74 2HB ARG 74 17.537 -2.196 -4.060 611 2HB ARG 74 1HB ARG 74 19.127 -2.923 -4.246 612 1HG ARG 74 2HG ARG 74 20.164 -0.735 -4.214 613 2HG ARG 74 1HG ARG 74 18.580 0.036 -4.119 614 1HD ARG 74 2HD ARG 74 18.259 -1.388 -1.995 615 2HD ARG 74 1HD ARG 74 20.009 -1.601 -2.053 616 HE ARG 74 HE ARG 74 19.372 1.139 -2.261 617 1HH1 ARG 74 2HH1 ARG 74 19.406 -1.474 0.043 618 2HH1 ARG 74 1HH1 ARG 74 19.637 -0.436 1.411 619 1HH2 ARG 74 1HH2 ARG 74 19.675 2.513 -0.466 620 2HH2 ARG 74 2HH2 ARG 74 19.790 1.831 1.121 621 H GLY 75 H GLY 75 16.916 -1.999 -8.073 622 1HA GLY 75 2HA GLY 75 16.642 -4.746 -8.519 623 2HA GLY 75 1HA GLY 75 15.306 -4.244 -7.495 624 H GLY 76 HN GLY 76 13.778 -4.712 -9.103 625 1HA GLY 76 2HA GLY 76 13.723 -2.717 -11.277 626 2HA GLY 76 1HA GLY 76 13.330 -4.402 -11.583 Start of MODEL 4 1 2H MET 1 2H MET 1 -11.771 -2.928 3.024 2 3H MET 1 3H MET 1 -13.439 -2.990 3.293 3 1H MET 1 1H MET 1 -12.766 -1.690 2.444 4 HA MET 1 HA MET 1 -13.775 -4.056 1.419 5 1HB MET 1 2HB MET 1 -13.131 -3.032 -0.744 6 2HB MET 1 1HB MET 1 -13.947 -1.900 0.328 7 1HG MET 1 2HG MET 1 -11.014 -1.925 0.513 8 2HG MET 1 1HG MET 1 -11.678 -1.359 -1.019 9 1HE MET 1 1HE MET 1 -10.406 1.196 -0.306 10 2HE MET 1 2HE MET 1 -11.854 2.203 -0.288 11 3HE MET 1 3HE MET 1 -11.726 0.861 -1.427 12 H GLN 2 H GLN 2 -12.780 -5.446 -0.220 13 HA GLN 2 HA GLN 2 -10.118 -6.292 0.657 14 1HB GLN 2 2HB GLN 2 -12.385 -7.674 -0.740 15 2HB GLN 2 1HB GLN 2 -10.759 -8.339 -0.812 16 1HG GLN 2 2HG GLN 2 -12.142 -7.693 1.774 17 2HG GLN 2 1HG GLN 2 -12.268 -9.262 0.979 18 1HE2 GLN 2 1HE2 GLN 2 -11.330 -10.034 2.995 19 2HE2 GLN 2 2HE2 GLN 2 -9.613 -10.009 3.183 20 H VAL 3 H VAL 3 -8.564 -5.284 -0.449 21 HA VAL 3 HA VAL 3 -8.862 -4.922 -3.347 22 HB VAL 3 HB VAL 3 -7.047 -3.345 -3.236 23 1HG1 VAL 3 1HG1 VAL 3 -8.680 -1.921 -2.714 24 2HG1 VAL 3 2HG1 VAL 3 -8.119 -2.038 -1.046 25 3HG1 VAL 3 3HG1 VAL 3 -9.431 -3.072 -1.609 26 1HG2 VAL 3 1HG2 VAL 3 -5.427 -3.620 -1.743 27 2HG2 VAL 3 2HG2 VAL 3 -6.412 -4.757 -0.823 28 3HG2 VAL 3 3HG2 VAL 3 -6.526 -3.028 -0.497 29 H PHE 4 H PHE 4 -6.810 -5.223 -4.641 30 HA PHE 4 HA PHE 4 -5.349 -7.594 -3.676 31 1HB PHE 4 2HB PHE 4 -5.726 -7.058 -6.598 32 2HB PHE 4 1HB PHE 4 -5.454 -8.589 -5.773 33 HD1 PHE 4 HD1 PHE 4 -7.250 -9.962 -5.163 34 HD2 PHE 4 HD2 PHE 4 -7.973 -5.929 -6.344 35 HE1 PHE 4 HE1 PHE 4 -9.673 -10.414 -5.208 36 HE2 PHE 4 HE2 PHE 4 -10.397 -6.373 -6.390 37 HZ PHE 4 HZ PHE 4 -11.249 -8.618 -5.822 38 H LEU 5 H LEU 5 -3.152 -7.696 -4.031 39 HA LEU 5 HA LEU 5 -1.907 -5.280 -5.168 40 1HB LEU 5 2HB LEU 5 -1.833 -5.776 -2.571 41 2HB LEU 5 1HB LEU 5 -0.529 -6.848 -3.040 42 HG LEU 5 HG LEU 5 0.193 -4.560 -4.330 43 1HD1 LEU 5 1HD1 LEU 5 -0.036 -2.752 -2.635 44 2HD1 LEU 5 2HD1 LEU 5 -1.188 -3.771 -1.772 45 3HD1 LEU 5 3HD1 LEU 5 -1.554 -3.213 -3.404 46 1HD2 LEU 5 1HD2 LEU 5 0.870 -5.520 -1.557 47 2HD2 LEU 5 2HD2 LEU 5 1.752 -4.239 -2.389 48 3HD2 LEU 5 3HD2 LEU 5 1.723 -5.870 -3.061 49 H LYS 6 H LYS 6 -0.347 -5.582 -6.651 50 HA LYS 6 HA LYS 6 0.370 -8.355 -7.294 51 1HB LYS 6 2HB LYS 6 -0.628 -6.436 -8.930 52 2HB LYS 6 1HB LYS 6 1.096 -6.199 -9.178 53 1HG LYS 6 2HG LYS 6 0.948 -7.809 -10.702 54 2HG LYS 6 1HG LYS 6 0.813 -8.930 -9.347 55 1HD LYS 6 2HD LYS 6 -1.570 -8.891 -9.454 56 2HD LYS 6 1HD LYS 6 -1.552 -7.563 -10.616 57 1HE LYS 6 2HE LYS 6 -0.511 -10.354 -11.090 58 2HE LYS 6 1HE LYS 6 -2.022 -9.694 -11.712 59 1HZ LYS 6 1HZ LYS 6 -0.356 -9.592 -13.409 60 2HZ LYS 6 2HZ LYS 6 0.720 -8.779 -12.389 61 3HZ LYS 6 3HZ LYS 6 -0.697 -8.013 -12.906 62 H THR 7 H THR 7 2.439 -9.050 -7.295 63 HA THR 7 HA THR 7 4.459 -7.179 -6.279 64 HB THR 7 HB THR 7 5.735 -9.140 -5.592 65 HG1 THR 7 HG1 THR 7 5.308 -11.041 -6.418 66 1HG2 THR 7 1HG2 THR 7 3.640 -8.199 -4.301 67 2HG2 THR 7 2HG2 THR 7 4.465 -9.654 -3.743 68 3HG2 THR 7 3HG2 THR 7 2.972 -9.789 -4.672 69 H LEU 8 H LEU 8 6.790 -8.200 -6.971 70 HA LEU 8 HA LEU 8 6.953 -7.637 -9.786 71 1HB LEU 8 2HB LEU 8 9.250 -8.610 -8.125 72 2HB LEU 8 1HB LEU 8 9.267 -7.513 -9.493 73 HG LEU 8 HG LEU 8 8.151 -6.847 -6.768 74 1HD1 LEU 8 1HD1 LEU 8 10.138 -5.375 -6.601 75 2HD1 LEU 8 2HD1 LEU 8 10.772 -6.123 -8.066 76 3HD1 LEU 8 3HD1 LEU 8 10.535 -7.094 -6.613 77 1HD2 LEU 8 1HD2 LEU 8 7.620 -4.772 -7.556 78 2HD2 LEU 8 2HD2 LEU 8 7.343 -5.720 -9.017 79 3HD2 LEU 8 3HD2 LEU 8 8.845 -4.817 -8.824 80 H THR 9 H THR 9 6.399 -10.416 -8.006 81 HA THR 9 HA THR 9 7.651 -12.164 -10.004 82 HB THR 9 HB THR 9 7.601 -13.913 -8.473 83 HG1 THR 9 HG1 THR 9 6.111 -14.112 -6.876 84 1HG2 THR 9 1HG2 THR 9 8.960 -13.108 -6.873 85 2HG2 THR 9 2HG2 THR 9 7.742 -11.980 -6.275 86 3HG2 THR 9 3HG2 THR 9 8.729 -11.552 -7.672 87 H GLY 10 H GLY 10 4.606 -10.977 -8.912 88 1HA GLY 10 2HA GLY 10 2.714 -11.118 -10.401 89 2HA GLY 10 1HA GLY 10 3.274 -12.712 -10.886 90 H LYS 11 H LYS 11 3.155 -11.635 -7.554 91 HA LYS 11 HA LYS 11 1.186 -13.739 -7.016 92 1HB LYS 11 2HB LYS 11 3.503 -13.480 -5.821 93 2HB LYS 11 1HB LYS 11 2.665 -12.261 -4.872 94 1HG LYS 11 2HG LYS 11 0.996 -14.528 -4.935 95 2HG LYS 11 1HG LYS 11 2.631 -15.098 -4.593 96 1HD LYS 11 2HD LYS 11 1.052 -13.026 -3.079 97 2HD LYS 11 1HD LYS 11 1.583 -14.610 -2.504 98 1HE LYS 11 2HE LYS 11 3.451 -13.683 -1.744 99 2HE LYS 11 1HE LYS 11 3.884 -13.243 -3.396 100 1HZ LYS 11 1HZ LYS 11 2.300 -11.605 -1.492 101 2HZ LYS 11 2HZ LYS 11 2.590 -11.188 -3.105 102 3HZ LYS 11 3HZ LYS 11 3.879 -11.297 -2.015 103 H THR 12 H THR 12 -0.824 -13.287 -6.367 104 HA THR 12 HA THR 12 -1.527 -10.474 -5.937 105 HB THR 12 HB THR 12 -3.507 -12.713 -6.282 106 HG1 THR 12 HG1 THR 12 -3.415 -12.286 -8.524 107 1HG2 THR 12 1HG2 THR 12 -3.618 -9.769 -6.953 108 2HG2 THR 12 2HG2 THR 12 -4.329 -10.517 -5.523 109 3HG2 THR 12 3HG2 THR 12 -4.934 -10.928 -7.128 110 H VAL 13 H VAL 13 -1.848 -9.772 -3.937 111 HA VAL 13 HA VAL 13 -2.600 -11.728 -1.863 112 HB VAL 13 HB VAL 13 -1.565 -10.166 -0.229 113 1HG1 VAL 13 1HG1 VAL 13 -0.382 -12.131 -1.328 114 2HG1 VAL 13 2HG1 VAL 13 0.641 -10.905 -0.578 115 3HG1 VAL 13 3HG1 VAL 13 0.440 -10.935 -2.331 116 1HG2 VAL 13 1HG2 VAL 13 -0.179 -8.787 -2.483 117 2HG2 VAL 13 2HG2 VAL 13 -0.429 -8.254 -0.820 118 3HG2 VAL 13 3HG2 VAL 13 -1.770 -8.226 -1.966 119 H THR 14 H THR 14 -4.298 -11.296 -0.532 120 HA THR 14 HA THR 14 -5.969 -9.003 -1.276 121 HB THR 14 HB THR 14 -7.353 -10.678 0.541 122 HG1 THR 14 HG1 THR 14 -6.423 -12.547 0.147 123 1HG2 THR 14 1HG2 THR 14 -8.966 -10.421 -0.998 124 2HG2 THR 14 2HG2 THR 14 -7.957 -11.072 -2.291 125 3HG2 THR 14 3HG2 THR 14 -7.821 -9.373 -1.835 126 H ILE 15 H ILE 15 -6.285 -7.347 0.066 127 HA ILE 15 HA ILE 15 -5.724 -7.699 2.928 128 HB ILE 15 HB ILE 15 -4.842 -5.216 1.484 129 1HG1 ILE 15 2HG1 ILE 15 -3.055 -7.563 2.146 130 2HG1 ILE 15 1HG1 ILE 15 -3.716 -7.274 0.540 131 1HG2 ILE 15 1HG2 ILE 15 -5.135 -5.120 3.919 132 2HG2 ILE 15 2HG2 ILE 15 -3.449 -4.905 3.447 133 3HG2 ILE 15 3HG2 ILE 15 -3.992 -6.451 4.100 134 1HD1 ILE 15 1HD1 ILE 15 -1.795 -6.185 0.210 135 2HD1 ILE 15 2HD1 ILE 15 -1.507 -5.958 1.935 136 3HD1 ILE 15 3HD1 ILE 15 -2.595 -4.872 1.072 137 H GLU 16 H GLU 16 -6.843 -6.278 4.315 138 HA GLU 16 HA GLU 16 -9.240 -5.117 3.093 139 1HB GLU 16 2HB GLU 16 -8.647 -6.460 5.616 140 2HB GLU 16 1HB GLU 16 -9.560 -4.975 5.841 141 1HG GLU 16 2HG GLU 16 -11.184 -5.830 4.131 142 2HG GLU 16 1HG GLU 16 -10.327 -7.369 4.197 143 H VAL 17 H VAL 17 -9.457 -2.996 2.898 144 HA VAL 17 HA VAL 17 -8.108 -1.221 4.792 145 HB VAL 17 HB VAL 17 -7.244 0.229 3.063 146 1HG1 VAL 17 1HG1 VAL 17 -5.359 -0.947 2.973 147 2HG1 VAL 17 2HG1 VAL 17 -6.092 -2.163 1.927 148 3HG1 VAL 17 3HG1 VAL 17 -6.252 -2.294 3.679 149 1HG2 VAL 17 1HG2 VAL 17 -9.128 -0.622 1.435 150 2HG2 VAL 17 2HG2 VAL 17 -7.860 -1.730 0.908 151 3HG2 VAL 17 3HG2 VAL 17 -7.605 0.012 0.813 152 H GLU 18 H GLU 18 -8.851 1.089 4.472 153 HA GLU 18 HA GLU 18 -11.635 1.174 3.523 154 1HB GLU 18 2HB GLU 18 -10.552 2.462 6.036 155 2HB GLU 18 1HB GLU 18 -12.190 2.638 5.423 156 1HG GLU 18 2HG GLU 18 -12.315 0.082 5.604 157 2HG GLU 18 1HG GLU 18 -10.882 0.229 6.620 158 HA PRO 19 HA PRO 19 -10.620 4.719 1.141 159 1HB PRO 19 2HB PRO 19 -12.798 6.339 1.732 160 2HB PRO 19 1HB PRO 19 -12.773 5.075 0.500 161 1HG PRO 19 2HG PRO 19 -13.835 4.987 3.289 162 2HG PRO 19 1HG PRO 19 -14.494 4.259 1.813 163 1HD PRO 19 2HD PRO 19 -13.188 2.789 3.635 164 2HD PRO 19 1HD PRO 19 -13.027 2.461 1.897 165 H SER 20 H SER 20 -11.520 5.167 4.508 166 HA SER 20 HA SER 20 -10.348 7.810 4.638 167 1HB SER 20 2HB SER 20 -10.941 7.690 7.043 168 2HB SER 20 1HB SER 20 -12.315 7.337 5.996 169 HG SER 20 HG SER 20 -11.940 5.116 6.384 170 H ASP 21 H ASP 21 -8.976 4.904 4.365 171 HA ASP 21 HA ASP 21 -7.052 5.002 6.498 172 1HB ASP 21 2HB ASP 21 -7.337 3.309 4.023 173 2HB ASP 21 1HB ASP 21 -5.915 3.201 5.054 174 H THR 22 H THR 22 -4.809 5.406 6.287 175 HA THR 22 HA THR 22 -4.188 7.321 4.152 176 HB THR 22 HB THR 22 -2.583 8.301 5.551 177 HG1 THR 22 HG1 THR 22 -1.512 7.223 7.077 178 1HG2 THR 22 1HG2 THR 22 -5.055 7.463 6.993 179 2HG2 THR 22 2HG2 THR 22 -4.534 9.071 6.490 180 3HG2 THR 22 3HG2 THR 22 -3.795 8.304 7.895 181 H VAL 23 H VAL 23 -2.333 7.147 2.906 182 HA VAL 23 HA VAL 23 -1.536 4.716 1.972 183 HB VAL 23 HB VAL 23 0.281 7.121 2.166 184 1HG1 VAL 23 1HG1 VAL 23 1.690 5.529 1.357 185 2HG1 VAL 23 2HG1 VAL 23 0.925 6.007 -0.159 186 3HG1 VAL 23 3HG1 VAL 23 0.381 4.556 0.683 187 1HG2 VAL 23 1HG2 VAL 23 -1.426 8.095 1.043 188 2HG2 VAL 23 2HG2 VAL 23 -2.100 6.553 0.513 189 3HG2 VAL 23 3HG2 VAL 23 -0.709 7.242 -0.325 190 H GLU 24 H GLU 24 0.011 6.570 4.574 191 HA GLU 24 HA GLU 24 2.202 5.006 5.097 192 1HB GLU 24 2HB GLU 24 1.190 7.164 6.281 193 2HB GLU 24 1HB GLU 24 0.628 5.966 7.439 194 1HG GLU 24 2HG GLU 24 3.474 5.857 6.626 195 2HG GLU 24 1HG GLU 24 2.967 7.183 7.673 196 H ASN 25 H ASN 25 -0.976 4.655 6.683 197 HA ASN 25 HA ASN 25 -0.471 2.348 8.108 198 1HB ASN 25 2HB ASN 25 -2.797 3.836 7.290 199 2HB ASN 25 1HB ASN 25 -3.123 2.109 7.174 200 1HD2 ASN 25 1HD2 ASN 25 -4.184 4.111 9.014 201 2HD2 ASN 25 2HD2 ASN 25 -3.817 3.539 10.602 202 H PHE 26 H PHE 26 -1.383 2.719 4.729 203 HA PHE 26 HA PHE 26 -1.901 0.049 4.100 204 1HB PHE 26 2HB PHE 26 -2.189 2.190 2.666 205 2HB PHE 26 1HB PHE 26 -0.519 1.911 2.184 206 HD1 PHE 26 HD1 PHE 26 -1.679 -1.248 2.750 207 HD2 PHE 26 HD2 PHE 26 -2.202 1.974 0.006 208 HE1 PHE 26 HE1 PHE 26 -2.444 -2.842 1.033 209 HE2 PHE 26 HE2 PHE 26 -2.968 0.386 -1.717 210 HZ PHE 26 HZ PHE 26 -3.090 -2.024 -1.204 211 H LYS 27 H LYS 27 1.149 1.867 3.909 212 HA LYS 27 HA LYS 27 2.729 -0.285 3.006 213 1HB LYS 27 2HB LYS 27 3.334 2.328 4.353 214 2HB LYS 27 1HB LYS 27 4.615 1.157 4.074 215 1HG LYS 27 2HG LYS 27 4.232 1.234 1.698 216 2HG LYS 27 1HG LYS 27 2.840 2.295 1.925 217 1HD LYS 27 2HD LYS 27 4.448 3.915 3.041 218 2HD LYS 27 1HD LYS 27 5.746 2.908 2.398 219 1HE LYS 27 2HE LYS 27 4.293 3.241 0.170 220 2HE LYS 27 1HE LYS 27 3.890 4.741 1.007 221 1HZ LYS 27 1HZ LYS 27 6.466 3.836 -0.051 222 2HZ LYS 27 2HZ LYS 27 6.475 4.811 1.331 223 3HZ LYS 27 3HZ LYS 27 5.761 5.374 -0.095 224 H ALA 28 H ALA 28 1.718 0.744 6.190 225 HA ALA 28 HA ALA 28 3.564 -0.770 7.698 226 1HB ALA 28 1HB ALA 28 2.248 -0.260 9.578 227 2HB ALA 28 2HB ALA 28 0.786 -0.076 8.609 228 3HB ALA 28 3HB ALA 28 2.073 1.126 8.502 229 H LYS 29 H LYS 29 0.354 -1.502 6.413 230 HA LYS 29 HA LYS 29 0.119 -4.036 7.684 231 1HB LYS 29 2HB LYS 29 -1.270 -2.972 5.218 232 2HB LYS 29 1HB LYS 29 -1.745 -4.408 6.114 233 1HG LYS 29 2HG LYS 29 -2.103 -2.952 8.109 234 2HG LYS 29 1HG LYS 29 -1.816 -1.556 7.067 235 1HD LYS 29 2HD LYS 29 -3.688 -2.251 5.640 236 2HD LYS 29 1HD LYS 29 -3.982 -3.627 6.706 237 1HE LYS 29 2HE LYS 29 -5.500 -2.134 7.541 238 2HE LYS 29 1HE LYS 29 -4.102 -1.759 8.548 239 1HZ LYS 29 1HZ LYS 29 -4.948 0.286 7.801 240 2HZ LYS 29 2HZ LYS 29 -5.109 -0.252 6.206 241 3HZ LYS 29 3HZ LYS 29 -3.571 0.007 6.860 242 H ILE 30 H ILE 30 1.252 -2.974 4.511 243 HA ILE 30 HA ILE 30 1.612 -5.569 3.427 244 HB ILE 30 HB ILE 30 2.882 -2.934 2.682 245 1HG1 ILE 30 2HG1 ILE 30 0.727 -4.497 1.253 246 2HG1 ILE 30 1HG1 ILE 30 0.378 -3.229 2.424 247 1HG2 ILE 30 1HG2 ILE 30 4.391 -4.320 1.698 248 2HG2 ILE 30 2HG2 ILE 30 3.145 -4.355 0.450 249 3HG2 ILE 30 3HG2 ILE 30 3.262 -5.672 1.615 250 1HD1 ILE 30 1HD1 ILE 30 0.524 -1.731 0.812 251 2HD1 ILE 30 2HD1 ILE 30 0.947 -2.993 -0.345 252 3HD1 ILE 30 3HD1 ILE 30 2.215 -2.169 0.563 253 H GLN 31 H GLN 31 3.803 -3.309 5.061 254 HA GLN 31 HA GLN 31 6.220 -4.533 4.762 255 1HB GLN 31 2HB GLN 31 6.131 -2.492 5.967 256 2HB GLN 31 1HB GLN 31 5.034 -3.161 7.167 257 1HG GLN 31 2HG GLN 31 6.963 -4.759 7.735 258 2HG GLN 31 1HG GLN 31 7.970 -3.619 6.843 259 1HE2 GLN 31 1HE2 GLN 31 8.952 -2.212 8.087 260 2HE2 GLN 31 2HE2 GLN 31 8.350 -1.555 9.567 261 H ASP 32 H ASP 32 4.115 -5.144 7.580 262 HA ASP 32 HA ASP 32 5.521 -7.416 8.451 263 1HB ASP 32 2HB ASP 32 3.951 -6.081 9.856 264 2HB ASP 32 1HB ASP 32 2.608 -6.767 8.947 265 H LYS 33 H LYS 33 3.499 -6.997 5.792 266 HA LYS 33 HA LYS 33 2.580 -9.754 5.704 267 1HB LYS 33 2HB LYS 33 2.026 -7.272 4.160 268 2HB LYS 33 1HB LYS 33 1.814 -8.806 3.325 269 1HG LYS 33 2HG LYS 33 0.578 -8.973 5.889 270 2HG LYS 33 1HG LYS 33 0.029 -7.507 5.073 271 1HD LYS 33 2HD LYS 33 -0.349 -9.013 3.034 272 2HD LYS 33 1HD LYS 33 -0.192 -10.362 4.163 273 1HE LYS 33 2HE LYS 33 -1.955 -8.518 5.352 274 2HE LYS 33 1HE LYS 33 -2.449 -8.663 3.666 275 1HZ LYS 33 1HZ LYS 33 -3.592 -10.313 4.906 276 2HZ LYS 33 2HZ LYS 33 -2.171 -10.852 5.649 277 3HZ LYS 33 3HZ LYS 33 -2.413 -11.116 3.996 278 H GLU 34 H GLU 34 4.263 -7.658 3.356 279 HA GLU 34 HA GLU 34 5.621 -10.036 2.309 280 1HB GLU 34 2HB GLU 34 5.742 -7.309 1.057 281 2HB GLU 34 1HB GLU 34 5.933 -8.882 0.294 282 1HG GLU 34 2HG GLU 34 3.463 -9.239 0.952 283 2HG GLU 34 1HG GLU 34 3.431 -7.487 1.143 284 H GLY 35 H GLY 35 6.325 -8.512 4.812 285 1HA GLY 35 2HA GLY 35 8.173 -7.532 5.815 286 2HA GLY 35 1HA GLY 35 8.987 -8.844 4.976 287 H ILE 36 H ILE 36 7.640 -5.634 4.190 288 HA ILE 36 HA ILE 36 10.180 -5.011 2.847 289 HB ILE 36 HB ILE 36 7.609 -3.973 1.726 290 1HG1 ILE 36 2HG1 ILE 36 8.874 -6.639 1.050 291 2HG1 ILE 36 1HG1 ILE 36 7.310 -6.403 1.823 292 1HG2 ILE 36 1HG2 ILE 36 8.897 -3.767 -0.296 293 2HG2 ILE 36 2HG2 ILE 36 10.249 -4.635 0.431 294 3HG2 ILE 36 3HG2 ILE 36 9.797 -3.041 1.035 295 1HD1 ILE 36 1HD1 ILE 36 7.387 -6.929 -0.685 296 2HD1 ILE 36 2HD1 ILE 36 7.869 -5.243 -0.872 297 3HD1 ILE 36 3HD1 ILE 36 6.322 -5.640 -0.126 298 HA PRO 37 HA PRO 37 9.788 -1.560 5.696 299 1HB PRO 37 2HB PRO 37 12.105 -0.339 4.893 300 2HB PRO 37 1HB PRO 37 12.047 -1.671 6.051 301 1HG PRO 37 2HG PRO 37 12.659 -1.728 3.122 302 2HG PRO 37 1HG PRO 37 13.449 -2.600 4.448 303 1HD PRO 37 2HD PRO 37 11.663 -3.794 2.826 304 2HD PRO 37 1HD PRO 37 11.787 -4.207 4.550 305 HA PRO 38 HA PRO 38 7.643 1.315 3.075 306 1HB PRO 38 2HB PRO 38 8.506 3.200 5.224 307 2HB PRO 38 1HB PRO 38 6.903 2.953 4.521 308 1HG PRO 38 2HG PRO 38 7.495 1.967 6.921 309 2HG PRO 38 1HG PRO 38 6.503 1.041 5.777 310 1HD PRO 38 2HD PRO 38 9.356 0.660 6.554 311 2HD PRO 38 1HD PRO 38 8.131 -0.548 6.119 312 H ASP 39 H ASP 39 10.856 1.921 4.365 313 HA ASP 39 HA ASP 39 11.522 4.206 2.909 314 1HB ASP 39 2HB ASP 39 13.332 1.945 3.785 315 2HB ASP 39 1HB ASP 39 13.867 3.547 3.285 316 H GLN 40 H GLN 40 11.209 0.914 1.897 317 HA GLN 40 HA GLN 40 12.224 1.671 -0.764 318 1HB GLN 40 2HB GLN 40 12.303 -1.135 0.329 319 2HB GLN 40 1HB GLN 40 13.129 -0.498 -1.087 320 1HG GLN 40 2HG GLN 40 14.322 1.043 0.627 321 2HG GLN 40 1HG GLN 40 13.791 -0.159 1.803 322 1HE2 GLN 40 1HE2 GLN 40 13.982 -2.362 -0.067 323 2HE2 GLN 40 2HE2 GLN 40 15.664 -2.689 -0.272 324 H GLN 41 H GLN 41 9.471 1.642 0.497 325 HA GLN 41 HA GLN 41 8.147 -0.340 -1.207 326 1HB GLN 41 2HB GLN 41 7.354 1.180 1.234 327 2HB GLN 41 1HB GLN 41 6.092 0.659 0.127 328 1HG GLN 41 2HG GLN 41 7.393 -1.647 0.350 329 2HG GLN 41 1HG GLN 41 7.844 -0.935 1.899 330 1HE2 GLN 41 1HE2 GLN 41 6.606 -1.711 3.439 331 2HE2 GLN 41 2HE2 GLN 41 4.901 -1.968 3.347 332 H ARG 42 H ARG 42 7.445 0.269 -3.132 333 HA ARG 42 HA ARG 42 6.641 3.078 -3.520 334 1HB ARG 42 2HB ARG 42 8.689 2.545 -4.748 335 2HB ARG 42 1HB ARG 42 7.889 1.182 -5.518 336 1HG ARG 42 2HG ARG 42 6.769 2.485 -6.986 337 2HG ARG 42 1HG ARG 42 6.611 3.824 -5.846 338 1HD ARG 42 2HD ARG 42 8.807 4.568 -6.255 339 2HD ARG 42 1HD ARG 42 9.249 3.066 -7.066 340 HE ARG 42 HE ARG 42 7.325 3.978 -8.670 341 1HH1 ARG 42 2HH1 ARG 42 10.068 5.582 -7.247 342 2HH1 ARG 42 1HH1 ARG 42 10.242 6.716 -8.545 343 1HH2 ARG 42 1HH2 ARG 42 7.545 5.467 -10.385 344 2HH2 ARG 42 2HH2 ARG 42 8.808 6.650 -10.327 345 H LEU 43 H LEU 43 4.476 3.100 -3.478 346 HA LEU 43 HA LEU 43 3.007 0.949 -4.837 347 1HB LEU 43 2HB LEU 43 1.870 3.066 -3.020 348 2HB LEU 43 1HB LEU 43 1.097 1.584 -3.548 349 HG LEU 43 HG LEU 43 3.549 1.635 -1.794 350 1HD1 LEU 43 1HD1 LEU 43 1.730 2.738 -0.628 351 2HD1 LEU 43 2HD1 LEU 43 2.027 1.143 0.065 352 3HD1 LEU 43 3HD1 LEU 43 0.649 1.397 -1.005 353 1HD2 LEU 43 1HD2 LEU 43 3.104 -0.663 -1.414 354 2HD2 LEU 43 2HD2 LEU 43 3.034 -0.416 -3.160 355 3HD2 LEU 43 3HD2 LEU 43 1.543 -0.565 -2.230 356 H ILE 44 H ILE 44 2.495 1.371 -6.877 357 HA ILE 44 HA ILE 44 1.831 4.141 -7.628 358 HB ILE 44 HB ILE 44 2.940 1.866 -9.264 359 1HG1 ILE 44 2HG1 ILE 44 4.865 3.124 -9.460 360 2HG1 ILE 44 1HG1 ILE 44 4.017 4.652 -9.248 361 1HG2 ILE 44 1HG2 ILE 44 1.227 2.843 -10.621 362 2HG2 ILE 44 2HG2 ILE 44 2.789 3.413 -11.211 363 3HG2 ILE 44 3HG2 ILE 44 1.778 4.472 -10.229 364 1HD1 ILE 44 1HD1 ILE 44 3.833 4.270 -6.883 365 2HD1 ILE 44 2HD1 ILE 44 5.516 4.105 -7.382 366 3HD1 ILE 44 3HD1 ILE 44 4.549 2.668 -7.052 367 H PHE 45 H PHE 45 -0.211 4.582 -8.110 368 HA PHE 45 HA PHE 45 -1.917 2.496 -9.252 369 1HB PHE 45 2HB PHE 45 -2.280 2.561 -6.770 370 2HB PHE 45 1HB PHE 45 -2.812 4.231 -6.941 371 HD1 PHE 45 HD1 PHE 45 -5.077 4.352 -6.587 372 HD2 PHE 45 HD2 PHE 45 -3.514 1.141 -8.917 373 HE1 PHE 45 HE1 PHE 45 -7.371 3.579 -7.052 374 HE2 PHE 45 HE2 PHE 45 -5.806 0.362 -9.386 375 HZ PHE 45 HZ PHE 45 -7.737 1.582 -8.453 376 H ALA 46 H ALA 46 -3.176 3.222 -10.863 377 HA ALA 46 HA ALA 46 -3.985 4.631 -12.462 378 1HB ALA 46 1HB ALA 46 -5.514 6.177 -11.715 379 2HB ALA 46 2HB ALA 46 -4.490 6.709 -10.382 380 3HB ALA 46 3HB ALA 46 -5.336 5.165 -10.282 381 H GLY 47 H GLY 47 -1.148 4.797 -11.904 382 1HA GLY 47 2HA GLY 47 0.604 6.037 -12.744 383 2HA GLY 47 1HA GLY 47 -0.573 7.183 -13.369 384 H LYS 48 H LYS 48 -0.754 6.447 -10.019 385 HA LYS 48 HA LYS 48 0.684 8.933 -9.367 386 1HB LYS 48 2HB LYS 48 -1.739 8.045 -7.831 387 2HB LYS 48 1HB LYS 48 -1.000 9.639 -7.900 388 1HG LYS 48 2HG LYS 48 -1.930 8.739 -10.497 389 2HG LYS 48 1HG LYS 48 -3.221 8.806 -9.295 390 1HD LYS 48 2HD LYS 48 -2.320 11.136 -8.731 391 2HD LYS 48 1HD LYS 48 -1.426 11.018 -10.248 392 1HE LYS 48 2HE LYS 48 -4.353 11.254 -9.772 393 2HE LYS 48 1HE LYS 48 -3.338 12.051 -10.973 394 1HZ LYS 48 1HZ LYS 48 -4.707 9.498 -11.104 395 2HZ LYS 48 2HZ LYS 48 -3.142 9.506 -11.744 396 3HZ LYS 48 3HZ LYS 48 -4.305 10.577 -12.344 397 H GLN 49 H GLN 49 2.148 8.776 -7.786 398 HA GLN 49 HA GLN 49 2.540 6.200 -6.513 399 1HB GLN 49 2HB GLN 49 4.334 7.856 -7.506 400 2HB GLN 49 1HB GLN 49 4.231 8.592 -5.912 401 1HG GLN 49 2HG GLN 49 4.501 5.966 -5.275 402 2HG GLN 49 1HG GLN 49 5.456 6.073 -6.753 403 1HE2 GLN 49 1HE2 GLN 49 7.458 6.828 -6.614 404 2HE2 GLN 49 2HE2 GLN 49 8.141 7.619 -5.238 405 H LEU 50 H LEU 50 1.051 5.904 -4.918 406 HA LEU 50 HA LEU 50 -0.154 7.664 -3.251 407 1HB LEU 50 2HB LEU 50 0.926 5.117 -2.100 408 2HB LEU 50 1HB LEU 50 -0.616 5.895 -1.797 409 HG LEU 50 HG LEU 50 0.189 4.370 -4.272 410 1HD1 LEU 50 1HD1 LEU 50 -0.416 2.823 -2.637 411 2HD1 LEU 50 2HD1 LEU 50 -1.902 3.072 -3.554 412 3HD1 LEU 50 3HD1 LEU 50 -1.688 3.860 -1.991 413 1HD2 LEU 50 1HD2 LEU 50 -2.279 6.001 -3.709 414 2HD2 LEU 50 2HD2 LEU 50 -2.157 4.809 -5.003 415 3HD2 LEU 50 3HD2 LEU 50 -1.112 6.230 -5.011 416 H GLU 51 H GLU 51 0.468 9.107 -1.790 417 HA GLU 51 HA GLU 51 3.223 9.000 -0.796 418 1HB GLU 51 2HB GLU 51 1.213 11.259 -0.788 419 2HB GLU 51 1HB GLU 51 2.850 11.367 -0.158 420 1HG GLU 51 2HG GLU 51 3.459 10.547 -2.594 421 2HG GLU 51 1HG GLU 51 1.895 11.273 -2.962 422 H ASP 52 H ASP 52 3.706 9.259 1.411 423 HA ASP 52 HA ASP 52 1.899 7.951 3.176 424 1HB ASP 52 2HB ASP 52 4.555 9.316 3.588 425 2HB ASP 52 1HB ASP 52 3.656 8.592 4.916 426 H GLY 53 H GLY 53 1.786 11.026 2.048 427 1HA GLY 53 2HA GLY 53 0.820 12.140 4.598 428 2HA GLY 53 1HA GLY 53 1.352 13.092 3.220 429 H ARG 54 H ARG 54 -0.249 10.884 1.643 430 HA ARG 54 HA ARG 54 -2.796 12.341 1.819 431 1HB ARG 54 2HB ARG 54 -1.236 11.205 -0.399 432 2HB ARG 54 1HB ARG 54 -2.960 10.871 -0.485 433 1HG ARG 54 2HG ARG 54 -2.891 12.839 -1.620 434 2HG ARG 54 1HG ARG 54 -3.135 13.453 0.016 435 1HD ARG 54 2HD ARG 54 -0.332 13.027 -0.769 436 2HD ARG 54 1HD ARG 54 -1.179 14.297 -1.651 437 HE ARG 54 HE ARG 54 -1.786 14.937 0.855 438 1HH1 ARG 54 2HH1 ARG 54 1.254 14.010 -0.565 439 2HH1 ARG 54 1HH1 ARG 54 2.204 14.948 0.540 440 1HH2 ARG 54 1HH2 ARG 54 -0.547 16.173 2.316 441 2HH2 ARG 54 2HH2 ARG 54 1.179 16.175 2.180 442 H THR 55 H THR 55 -4.720 10.936 1.070 443 HA THR 55 HA THR 55 -4.559 8.320 2.421 444 HB THR 55 HB THR 55 -6.921 8.605 3.079 445 HG1 THR 55 HG1 THR 55 -6.656 11.314 2.258 446 1HG2 THR 55 1HG2 THR 55 -4.672 9.941 4.161 447 2HG2 THR 55 2HG2 THR 55 -6.130 9.409 4.999 448 3HG2 THR 55 3HG2 THR 55 -6.052 11.030 4.309 449 H LEU 56 H LEU 56 -5.940 6.654 1.616 450 HA LEU 56 HA LEU 56 -5.907 6.193 -1.060 451 1HB LEU 56 2HB LEU 56 -8.239 5.260 0.583 452 2HB LEU 56 1HB LEU 56 -7.415 4.423 -0.720 453 HG LEU 56 HG LEU 56 -6.634 4.690 2.147 454 1HD1 LEU 56 1HD1 LEU 56 -5.812 2.264 1.114 455 2HD1 LEU 56 2HD1 LEU 56 -7.318 2.598 0.259 456 3HD1 LEU 56 3HD1 LEU 56 -7.293 2.568 2.022 457 1HD2 LEU 56 1HD2 LEU 56 -4.379 3.658 1.122 458 2HD2 LEU 56 2HD2 LEU 56 -4.584 5.369 1.495 459 3HD2 LEU 56 3HD2 LEU 56 -4.798 4.795 -0.159 460 H SER 57 H SER 57 -8.397 7.921 0.739 461 HA SER 57 HA SER 57 -10.295 8.146 -1.312 462 1HB SER 57 2HB SER 57 -11.416 9.611 0.081 463 2HB SER 57 1HB SER 57 -10.383 8.790 1.250 464 HG SER 57 HG SER 57 -8.860 10.623 0.676 465 H ASP 58 H ASP 58 -7.331 9.859 -0.706 466 HA ASP 58 HA ASP 58 -7.800 12.155 -2.255 467 1HB ASP 58 2HB ASP 58 -5.275 10.706 -1.476 468 2HB ASP 58 1HB ASP 58 -5.245 12.173 -2.449 469 H TYR 59 H TYR 59 -6.822 8.907 -3.115 470 HA TYR 59 HA TYR 59 -6.493 9.723 -5.915 471 1HB TYR 59 2HB TYR 59 -5.849 7.043 -4.675 472 2HB TYR 59 1HB TYR 59 -5.381 7.612 -6.274 473 HD1 TYR 59 HD1 TYR 59 -3.406 8.879 -6.587 474 HD2 TYR 59 HD2 TYR 59 -4.846 8.146 -2.642 475 HE1 TYR 59 HE1 TYR 59 -1.298 9.758 -5.661 476 HE2 TYR 59 HE2 TYR 59 -2.743 9.024 -1.705 477 HH TYR 59 HH TYR 59 0.027 9.555 -3.577 478 H ASN 60 H ASN 60 -9.029 9.196 -4.235 479 HA ASN 60 HA ASN 60 -11.078 8.223 -4.488 480 1HB ASN 60 2HB ASN 60 -10.593 9.603 -6.688 481 2HB ASN 60 1HB ASN 60 -10.598 8.006 -7.430 482 1HD2 ASN 60 1HD2 ASN 60 -12.486 7.032 -7.835 483 2HD2 ASN 60 2HD2 ASN 60 -14.033 7.663 -7.399 484 H ILE 61 H ILE 61 -9.409 6.337 -3.649 485 HA ILE 61 HA ILE 61 -9.266 4.077 -5.408 486 HB ILE 61 HB ILE 61 -8.793 4.313 -2.437 487 1HG1 ILE 61 2HG1 ILE 61 -7.040 4.379 -4.875 488 2HG1 ILE 61 1HG1 ILE 61 -7.059 5.471 -3.494 489 1HG2 ILE 61 1HG2 ILE 61 -9.469 2.052 -2.938 490 2HG2 ILE 61 2HG2 ILE 61 -7.735 2.089 -2.623 491 3HG2 ILE 61 3HG2 ILE 61 -8.329 1.972 -4.280 492 1HD1 ILE 61 1HD1 ILE 61 -5.078 4.198 -3.345 493 2HD1 ILE 61 2HD1 ILE 61 -5.945 2.687 -3.623 494 3HD1 ILE 61 3HD1 ILE 61 -6.176 3.572 -2.114 495 H GLN 62 H GLN 62 -10.841 2.691 -5.841 496 HA GLN 62 HA GLN 62 -13.160 2.580 -4.039 497 1HB GLN 62 2HB GLN 62 -12.858 1.802 -6.943 498 2HB GLN 62 1HB GLN 62 -14.313 1.520 -5.999 499 1HG GLN 62 2HG GLN 62 -13.106 4.238 -6.441 500 2HG GLN 62 1HG GLN 62 -14.371 3.544 -7.453 501 1HE2 GLN 62 1HE2 GLN 62 -14.214 5.889 -5.551 502 2HE2 GLN 62 2HE2 GLN 62 -15.595 5.698 -4.530 503 H LYS 63 H LYS 63 -14.293 0.327 -4.158 504 HA LYS 63 HA LYS 63 -12.473 -1.554 -3.032 505 1HB LYS 63 2HB LYS 63 -15.163 -2.476 -3.866 506 2HB LYS 63 1HB LYS 63 -14.321 -2.694 -2.339 507 1HG LYS 63 2HG LYS 63 -14.751 -0.161 -2.021 508 2HG LYS 63 1HG LYS 63 -15.974 -0.389 -3.272 509 1HD LYS 63 2HD LYS 63 -16.430 -2.497 -1.559 510 2HD LYS 63 1HD LYS 63 -15.999 -1.179 -0.467 511 1HE LYS 63 2HE LYS 63 -18.418 -1.286 -0.887 512 2HE LYS 63 1HE LYS 63 -17.710 0.230 -1.444 513 1HZ LYS 63 1HZ LYS 63 -18.593 -0.180 -3.416 514 2HZ LYS 63 2HZ LYS 63 -19.142 -1.701 -2.921 515 3HZ LYS 63 3HZ LYS 63 -17.592 -1.535 -3.576 516 H GLU 64 H GLU 64 -12.178 -3.765 -3.763 517 HA GLU 64 HA GLU 64 -11.613 -5.351 -5.293 518 1HB GLU 64 2HB GLU 64 -13.287 -3.998 -7.379 519 2HB GLU 64 1HB GLU 64 -13.003 -5.715 -7.129 520 1HG GLU 64 2HG GLU 64 -14.249 -5.058 -4.816 521 2HG GLU 64 1HG GLU 64 -15.011 -3.937 -5.944 522 H SER 65 H SER 65 -10.609 -2.341 -5.335 523 HA SER 65 HA SER 65 -9.452 -2.105 -7.949 524 1HB SER 65 2HB SER 65 -8.785 -0.598 -5.408 525 2HB SER 65 1HB SER 65 -8.308 -0.140 -7.043 526 HG SER 65 HG SER 65 -10.777 -0.298 -7.350 527 H THR 66 H THR 66 -7.218 -2.195 -8.469 528 HA THR 66 HA THR 66 -5.668 -3.957 -6.685 529 HB THR 66 HB THR 66 -5.569 -3.756 -9.702 530 HG1 THR 66 HG1 THR 66 -6.111 -6.145 -8.364 531 1HG2 THR 66 1HG2 THR 66 -4.084 -5.857 -9.322 532 2HG2 THR 66 2HG2 THR 66 -3.834 -5.176 -7.714 533 3HG2 THR 66 3HG2 THR 66 -3.369 -4.254 -9.143 534 H ILE 67 H ILE 67 -3.498 -3.519 -6.339 535 HA ILE 67 HA ILE 67 -2.464 -0.998 -7.450 536 HB ILE 67 HB ILE 67 -2.247 -1.876 -4.569 537 1HG1 ILE 67 2HG1 ILE 67 -3.324 0.661 -4.633 538 2HG1 ILE 67 1HG1 ILE 67 -4.081 -0.113 -6.022 539 1HG2 ILE 67 1HG2 ILE 67 -0.261 -0.672 -5.726 540 2HG2 ILE 67 2HG2 ILE 67 -0.823 -0.103 -4.154 541 3HG2 ILE 67 3HG2 ILE 67 -1.294 0.753 -5.622 542 1HD1 ILE 67 1HD1 ILE 67 -4.840 -0.301 -3.350 543 2HD1 ILE 67 2HD1 ILE 67 -4.133 -1.866 -3.751 544 3HD1 ILE 67 3HD1 ILE 67 -5.467 -1.229 -4.713 545 H HIS 68 H HIS 68 -0.298 -0.950 -7.921 546 HA HIS 68 HA HIS 68 1.081 -3.534 -7.790 547 1HB HIS 68 2HB HIS 68 1.816 -1.091 -9.412 548 2HB HIS 68 1HB HIS 68 2.507 -2.704 -9.562 549 HD1 HIS 68 HD1 HIS 68 0.509 -4.591 -10.162 550 HD2 HIS 68 HD2 HIS 68 -0.087 -0.630 -11.265 551 HE1 HIS 68 HE1 HIS 68 -1.244 -4.652 -11.965 552 HE2 HIS 68 HE2 HIS 68 -1.649 -2.236 -12.557 553 H LEU 69 H LEU 69 2.981 -3.817 -6.731 554 HA LEU 69 HA LEU 69 4.053 -1.482 -5.287 555 1HB LEU 69 2HB LEU 69 3.131 -2.831 -3.624 556 2HB LEU 69 1HB LEU 69 3.623 -4.315 -4.418 557 HG LEU 69 HG LEU 69 6.036 -3.544 -3.893 558 1HD1 LEU 69 1HD1 LEU 69 6.266 -2.124 -1.950 559 2HD1 LEU 69 2HD1 LEU 69 4.517 -1.919 -1.859 560 3HD1 LEU 69 3HD1 LEU 69 5.412 -1.260 -3.228 561 1HD2 LEU 69 1HD2 LEU 69 4.069 -4.534 -1.845 562 2HD2 LEU 69 2HD2 LEU 69 5.806 -4.464 -1.549 563 3HD2 LEU 69 3HD2 LEU 69 5.172 -5.478 -2.846 564 H VAL 70 H VAL 70 6.151 -1.026 -5.517 565 HA VAL 70 HA VAL 70 7.913 -3.062 -6.708 566 HB VAL 70 HB VAL 70 8.990 -0.719 -7.635 567 1HG1 VAL 70 1HG1 VAL 70 8.199 -3.070 -8.682 568 2HG1 VAL 70 2HG1 VAL 70 8.742 -1.702 -9.653 569 3HG1 VAL 70 3HG1 VAL 70 7.018 -1.991 -9.424 570 1HG2 VAL 70 1HG2 VAL 70 7.365 0.732 -8.447 571 2HG2 VAL 70 2HG2 VAL 70 6.765 0.331 -6.837 572 3HG2 VAL 70 3HG2 VAL 70 6.070 -0.449 -8.258 573 H LEU 71 H LEU 71 9.924 -3.205 -5.848 574 HA LEU 71 HA LEU 71 10.482 -2.239 -3.319 575 1HB LEU 71 2HB LEU 71 12.103 -3.394 -5.520 576 2HB LEU 71 1HB LEU 71 12.980 -2.563 -4.251 577 HG LEU 71 HG LEU 71 12.448 -5.174 -4.161 578 1HD1 LEU 71 1HD1 LEU 71 12.144 -4.173 -1.489 579 2HD1 LEU 71 2HD1 LEU 71 13.321 -3.204 -2.376 580 3HD1 LEU 71 3HD1 LEU 71 13.537 -4.951 -2.244 581 1HD2 LEU 71 1HD2 LEU 71 10.521 -5.749 -2.981 582 2HD2 LEU 71 2HD2 LEU 71 9.958 -4.581 -4.176 583 3HD2 LEU 71 3HD2 LEU 71 10.203 -4.082 -2.502 584 H ARG 72 H ARG 72 10.857 -0.737 -6.414 585 HA ARG 72 HA ARG 72 11.014 1.863 -5.499 586 1HB ARG 72 2HB ARG 72 13.135 1.416 -4.499 587 2HB ARG 72 1HB ARG 72 13.704 0.585 -5.940 588 1HG ARG 72 2HG ARG 72 14.642 2.487 -6.578 589 2HG ARG 72 1HG ARG 72 13.022 3.151 -6.798 590 1HD ARG 72 2HD ARG 72 13.930 3.152 -4.020 591 2HD ARG 72 1HD ARG 72 14.930 4.132 -5.094 592 HE ARG 72 HE ARG 72 13.158 5.584 -5.389 593 1HH1 ARG 72 2HH1 ARG 72 12.126 2.754 -3.644 594 2HH1 ARG 72 1HH1 ARG 72 10.599 3.433 -3.186 595 1HH2 ARG 72 1HH2 ARG 72 11.150 6.491 -4.791 596 2HH2 ARG 72 2HH2 ARG 72 10.044 5.557 -3.840 597 H LEU 73 H LEU 73 9.561 1.199 -7.444 598 HA LEU 73 HA LEU 73 9.001 1.651 -9.601 599 1HB LEU 73 2HB LEU 73 10.009 3.399 -10.624 600 2HB LEU 73 1HB LEU 73 10.733 3.599 -9.041 601 HG LEU 73 HG LEU 73 12.519 1.916 -10.269 602 1HD1 LEU 73 1HD1 LEU 73 12.373 3.884 -12.384 603 2HD1 LEU 73 2HD1 LEU 73 10.949 2.846 -12.349 604 3HD1 LEU 73 3HD1 LEU 73 12.556 2.133 -12.480 605 1HD2 LEU 73 1HD2 LEU 73 12.565 4.930 -10.280 606 2HD2 LEU 73 2HD2 LEU 73 13.961 3.858 -10.399 607 3HD2 LEU 73 3HD2 LEU 73 13.010 3.906 -8.915 608 H ARG 74 H ARG 74 9.512 1.016 -11.852 609 HA ARG 74 HA ARG 74 10.692 -1.597 -11.879 610 1HB ARG 74 2HB ARG 74 9.336 0.125 -13.932 611 2HB ARG 74 1HB ARG 74 10.148 -1.361 -14.405 612 1HG ARG 74 2HG ARG 74 8.719 -2.593 -12.796 613 2HG ARG 74 1HG ARG 74 7.849 -1.090 -12.482 614 1HD ARG 74 2HD ARG 74 8.065 -1.621 -15.316 615 2HD ARG 74 1HD ARG 74 7.301 -2.963 -14.467 616 HE ARG 74 HE ARG 74 6.084 -0.538 -15.097 617 1HH1 ARG 74 2HH1 ARG 74 6.479 -2.636 -12.346 618 2HH1 ARG 74 1HH1 ARG 74 4.982 -2.169 -11.611 619 1HH2 ARG 74 1HH2 ARG 74 4.109 0.085 -14.138 620 2HH2 ARG 74 2HH2 ARG 74 3.634 -0.623 -12.630 621 H GLY 75 H GLY 75 11.226 0.595 -14.555 622 1HA GLY 75 2HA GLY 75 13.367 1.765 -14.854 623 2HA GLY 75 1HA GLY 75 14.133 0.393 -14.066 624 H GLY 76 HN GLY 76 15.449 0.641 -16.118 625 1HA GLY 76 2HA GLY 76 14.583 -1.407 -17.961 626 2HA GLY 76 1HA GLY 76 14.675 0.195 -18.674 Start of MODEL 5 1 2H MET 1 2H MET 1 -15.341 -3.404 1.977 2 3H MET 1 3H MET 1 -14.325 -3.031 3.275 3 1H MET 1 1H MET 1 -14.131 -4.490 2.441 4 HA MET 1 HA MET 1 -13.893 -2.759 0.437 5 1HB MET 1 2HB MET 1 -14.005 -0.831 1.918 6 2HB MET 1 1HB MET 1 -12.697 -1.475 2.900 7 1HG MET 1 2HG MET 1 -11.467 -0.062 1.662 8 2HG MET 1 1HG MET 1 -11.465 -1.413 0.529 9 1HE MET 1 1HE MET 1 -11.694 2.371 0.286 10 2HE MET 1 2HE MET 1 -11.706 2.038 -1.446 11 3HE MET 1 3HE MET 1 -10.623 1.140 -0.383 12 H GLN 2 H GLN 2 -13.030 -4.865 -0.030 13 HA GLN 2 HA GLN 2 -10.373 -5.423 1.066 14 1HB GLN 2 2HB GLN 2 -12.303 -7.152 0.854 15 2HB GLN 2 1HB GLN 2 -11.839 -7.217 -0.840 16 1HG GLN 2 2HG GLN 2 -10.117 -8.535 -0.398 17 2HG GLN 2 1HG GLN 2 -9.532 -7.455 0.867 18 1HE2 GLN 2 1HE2 GLN 2 -12.211 -9.723 0.333 19 2HE2 GLN 2 2HE2 GLN 2 -12.111 -10.473 1.886 20 H VAL 3 H VAL 3 -8.725 -4.576 0.022 21 HA VAL 3 HA VAL 3 -8.902 -4.126 -2.871 22 HB VAL 3 HB VAL 3 -6.834 -2.761 -2.557 23 1HG1 VAL 3 1HG1 VAL 3 -9.485 -2.181 -1.448 24 2HG1 VAL 3 2HG1 VAL 3 -8.508 -1.265 -2.595 25 3HG1 VAL 3 3HG1 VAL 3 -8.197 -1.126 -0.865 26 1HG2 VAL 3 1HG2 VAL 3 -5.964 -3.849 -0.565 27 2HG2 VAL 3 2HG2 VAL 3 -7.353 -3.290 0.367 28 3HG2 VAL 3 3HG2 VAL 3 -6.194 -2.125 -0.273 29 H PHE 4 H PHE 4 -6.953 -4.562 -4.179 30 HA PHE 4 HA PHE 4 -5.537 -6.960 -3.218 31 1HB PHE 4 2HB PHE 4 -6.105 -6.375 -6.118 32 2HB PHE 4 1HB PHE 4 -5.613 -7.900 -5.389 33 HD1 PHE 4 HD1 PHE 4 -7.219 -9.515 -5.116 34 HD2 PHE 4 HD2 PHE 4 -8.393 -5.416 -5.143 35 HE1 PHE 4 HE1 PHE 4 -9.582 -10.195 -4.941 36 HE2 PHE 4 HE2 PHE 4 -10.758 -6.087 -4.966 37 HZ PHE 4 HZ PHE 4 -11.354 -8.479 -4.864 38 H LEU 5 H LEU 5 -3.357 -7.185 -3.717 39 HA LEU 5 HA LEU 5 -2.055 -4.861 -4.961 40 1HB LEU 5 2HB LEU 5 -1.854 -4.615 -2.550 41 2HB LEU 5 1HB LEU 5 -1.213 -6.239 -2.412 42 HG LEU 5 HG LEU 5 0.609 -5.222 -4.093 43 1HD1 LEU 5 1HD1 LEU 5 0.566 -2.864 -2.423 44 2HD1 LEU 5 2HD1 LEU 5 -0.870 -2.967 -3.441 45 3HD1 LEU 5 3HD1 LEU 5 0.734 -3.005 -4.172 46 1HD2 LEU 5 1HD2 LEU 5 0.452 -5.188 -1.104 47 2HD2 LEU 5 2HD2 LEU 5 1.889 -4.596 -1.939 48 3HD2 LEU 5 3HD2 LEU 5 1.363 -6.265 -2.162 49 H LYS 6 H LYS 6 -0.270 -5.291 -6.201 50 HA LYS 6 HA LYS 6 0.324 -8.143 -6.628 51 1HB LYS 6 2HB LYS 6 -0.570 -6.342 -8.465 52 2HB LYS 6 1HB LYS 6 1.168 -6.214 -8.691 53 1HG LYS 6 2HG LYS 6 1.366 -8.483 -9.277 54 2HG LYS 6 1HG LYS 6 -0.258 -8.854 -8.693 55 1HD LYS 6 2HD LYS 6 -0.853 -6.982 -10.525 56 2HD LYS 6 1HD LYS 6 0.615 -7.648 -11.245 57 1HE LYS 6 2HE LYS 6 -0.545 -9.940 -10.722 58 2HE LYS 6 1HE LYS 6 -2.011 -8.960 -10.715 59 1HZ LYS 6 1HZ LYS 6 -1.193 -10.045 -12.904 60 2HZ LYS 6 2HZ LYS 6 -0.128 -8.732 -12.962 61 3HZ LYS 6 3HZ LYS 6 -1.798 -8.465 -12.932 62 H THR 7 H THR 7 2.448 -8.836 -6.764 63 HA THR 7 HA THR 7 4.424 -6.955 -5.679 64 HB THR 7 HB THR 7 5.664 -8.823 -4.868 65 HG1 THR 7 HG1 THR 7 3.883 -10.390 -6.445 66 1HG2 THR 7 1HG2 THR 7 4.087 -9.898 -3.380 67 2HG2 THR 7 2HG2 THR 7 2.742 -9.446 -4.428 68 3HG2 THR 7 3HG2 THR 7 3.648 -8.201 -3.568 69 H LEU 8 H LEU 8 6.755 -8.226 -6.351 70 HA LEU 8 HA LEU 8 7.032 -7.451 -9.110 71 1HB LEU 8 2HB LEU 8 9.094 -8.655 -7.267 72 2HB LEU 8 1HB LEU 8 9.403 -7.827 -8.780 73 HG LEU 8 HG LEU 8 8.259 -6.551 -6.294 74 1HD1 LEU 8 1HD1 LEU 8 10.499 -6.925 -5.799 75 2HD1 LEU 8 2HD1 LEU 8 10.500 -5.296 -6.472 76 3HD1 LEU 8 3HD1 LEU 8 11.013 -6.660 -7.465 77 1HD2 LEU 8 1HD2 LEU 8 9.293 -4.692 -8.180 78 2HD2 LEU 8 2HD2 LEU 8 7.642 -4.853 -7.579 79 3HD2 LEU 8 3HD2 LEU 8 8.152 -5.751 -9.010 80 H THR 9 H THR 9 6.107 -10.274 -7.618 81 HA THR 9 HA THR 9 7.329 -12.008 -9.642 82 HB THR 9 HB THR 9 6.661 -13.884 -8.303 83 HG1 THR 9 HG1 THR 9 5.326 -12.021 -6.605 84 1HG2 THR 9 1HG2 THR 9 7.547 -11.913 -6.229 85 2HG2 THR 9 2HG2 THR 9 8.610 -12.325 -7.575 86 3HG2 THR 9 3HG2 THR 9 8.056 -13.584 -6.472 87 H GLY 10 H GLY 10 4.252 -10.723 -8.593 88 1HA GLY 10 2HA GLY 10 2.668 -10.523 -10.544 89 2HA GLY 10 1HA GLY 10 2.929 -12.249 -10.749 90 H LYS 11 H LYS 11 2.793 -13.185 -8.186 91 HA LYS 11 HA LYS 11 0.336 -13.887 -7.640 92 1HB LYS 11 2HB LYS 11 0.920 -14.314 -5.440 93 2HB LYS 11 1HB LYS 11 2.488 -14.192 -6.228 94 1HG LYS 11 2HG LYS 11 2.542 -11.784 -5.491 95 2HG LYS 11 1HG LYS 11 1.126 -12.146 -4.501 96 1HD LYS 11 2HD LYS 11 3.242 -14.100 -4.145 97 2HD LYS 11 1HD LYS 11 3.774 -12.463 -3.761 98 1HE LYS 11 2HE LYS 11 2.013 -12.186 -2.172 99 2HE LYS 11 1HE LYS 11 1.249 -13.693 -2.678 100 1HZ LYS 11 1HZ LYS 11 2.770 -13.574 -0.560 101 2HZ LYS 11 2HZ LYS 11 4.002 -13.812 -1.694 102 3HZ LYS 11 3HZ LYS 11 2.756 -14.946 -1.550 103 H THR 12 H THR 12 -1.442 -13.248 -6.390 104 HA THR 12 HA THR 12 -1.791 -10.326 -6.192 105 HB THR 12 HB THR 12 -4.052 -12.294 -6.510 106 HG1 THR 12 HG1 THR 12 -2.238 -11.438 -8.377 107 1HG2 THR 12 1HG2 THR 12 -3.992 -9.593 -5.891 108 2HG2 THR 12 2HG2 THR 12 -5.384 -10.497 -6.488 109 3HG2 THR 12 3HG2 THR 12 -4.348 -9.625 -7.618 110 H VAL 13 H VAL 13 -2.162 -9.521 -4.232 111 HA VAL 13 HA VAL 13 -2.829 -11.393 -2.063 112 HB VAL 13 HB VAL 13 -2.057 -9.270 -0.675 113 1HG1 VAL 13 1HG1 VAL 13 -1.055 -11.669 -0.994 114 2HG1 VAL 13 2HG1 VAL 13 -0.093 -10.389 -0.255 115 3HG1 VAL 13 3HG1 VAL 13 0.155 -10.812 -1.949 116 1HG2 VAL 13 1HG2 VAL 13 -0.337 -8.976 -3.120 117 2HG2 VAL 13 2HG2 VAL 13 -0.430 -7.925 -1.706 118 3HG2 VAL 13 3HG2 VAL 13 -1.771 -7.984 -2.851 119 H THR 14 H THR 14 -4.518 -11.004 -0.687 120 HA THR 14 HA THR 14 -6.287 -8.754 -1.403 121 HB THR 14 HB THR 14 -7.657 -10.886 -0.004 122 HG1 THR 14 HG1 THR 14 -6.749 -11.629 -2.581 123 1HG2 THR 14 1HG2 THR 14 -8.390 -10.413 -2.781 124 2HG2 THR 14 2HG2 THR 14 -8.226 -8.918 -1.861 125 3HG2 THR 14 3HG2 THR 14 -9.333 -10.177 -1.309 126 H ILE 15 H ILE 15 -5.995 -7.243 0.119 127 HA ILE 15 HA ILE 15 -6.028 -8.098 2.940 128 HB ILE 15 HB ILE 15 -4.751 -5.612 1.797 129 1HG1 ILE 15 2HG1 ILE 15 -3.233 -7.824 3.121 130 2HG1 ILE 15 1HG1 ILE 15 -3.713 -8.011 1.437 131 1HG2 ILE 15 1HG2 ILE 15 -3.721 -5.653 4.180 132 2HG2 ILE 15 2HG2 ILE 15 -5.123 -6.648 4.575 133 3HG2 ILE 15 3HG2 ILE 15 -5.349 -5.016 3.947 134 1HD1 ILE 15 1HD1 ILE 15 -1.808 -6.072 2.656 135 2HD1 ILE 15 2HD1 ILE 15 -2.615 -5.684 1.136 136 3HD1 ILE 15 3HD1 ILE 15 -1.604 -7.123 1.255 137 H GLU 16 H GLU 16 -7.025 -6.599 4.455 138 HA GLU 16 HA GLU 16 -9.356 -5.295 3.250 139 1HB GLU 16 2HB GLU 16 -9.765 -7.018 4.970 140 2HB GLU 16 1HB GLU 16 -8.844 -6.068 6.129 141 1HG GLU 16 2HG GLU 16 -11.118 -5.659 6.580 142 2HG GLU 16 1HG GLU 16 -10.504 -4.217 5.771 143 H VAL 17 H VAL 17 -9.435 -3.164 3.099 144 HA VAL 17 HA VAL 17 -8.046 -1.518 5.089 145 HB VAL 17 HB VAL 17 -7.044 -0.091 3.462 146 1HG1 VAL 17 1HG1 VAL 17 -5.560 -1.825 3.850 147 2HG1 VAL 17 2HG1 VAL 17 -5.690 -1.828 2.091 148 3HG1 VAL 17 3HG1 VAL 17 -6.580 -3.016 3.043 149 1HG2 VAL 17 1HG2 VAL 17 -7.243 -0.635 1.007 150 2HG2 VAL 17 2HG2 VAL 17 -8.695 0.017 1.764 151 3HG2 VAL 17 3HG2 VAL 17 -8.571 -1.712 1.438 152 H GLU 18 H GLU 18 -8.751 0.778 5.007 153 HA GLU 18 HA GLU 18 -11.578 0.943 4.199 154 1HB GLU 18 2HB GLU 18 -10.160 2.550 6.329 155 2HB GLU 18 1HB GLU 18 -11.880 2.580 5.968 156 1HG GLU 18 2HG GLU 18 -12.173 1.006 7.488 157 2HG GLU 18 1HG GLU 18 -11.259 -0.101 6.464 158 HA PRO 19 HA PRO 19 -10.743 4.053 1.204 159 1HB PRO 19 2HB PRO 19 -13.116 5.456 2.320 160 2HB PRO 19 1HB PRO 19 -12.782 4.953 0.660 161 1HG PRO 19 2HG PRO 19 -14.537 3.624 2.164 162 2HG PRO 19 1HG PRO 19 -13.458 2.769 1.046 163 1HD PRO 19 2HD PRO 19 -13.295 3.027 4.019 164 2HD PRO 19 1HD PRO 19 -12.899 1.641 2.982 165 H SER 20 H SER 20 -11.539 5.072 4.493 166 HA SER 20 HA SER 20 -10.274 7.652 4.140 167 1HB SER 20 2HB SER 20 -10.746 7.666 6.740 168 2HB SER 20 1HB SER 20 -12.060 7.883 5.584 169 HG SER 20 HG SER 20 -11.454 5.700 7.212 170 H ASP 21 H ASP 21 -8.812 4.936 4.086 171 HA ASP 21 HA ASP 21 -6.975 5.213 6.315 172 1HB ASP 21 2HB ASP 21 -7.250 3.236 4.064 173 2HB ASP 21 1HB ASP 21 -5.810 3.266 5.077 174 H THR 22 H THR 22 -4.664 5.413 6.006 175 HA THR 22 HA THR 22 -4.043 7.218 3.777 176 HB THR 22 HB THR 22 -1.944 7.674 5.194 177 HG1 THR 22 HG1 THR 22 -2.294 7.212 7.447 178 1HG2 THR 22 1HG2 THR 22 -4.516 8.480 6.526 179 2HG2 THR 22 2HG2 THR 22 -4.047 9.116 4.950 180 3HG2 THR 22 3HG2 THR 22 -3.025 9.407 6.358 181 H VAL 23 H VAL 23 -2.060 7.006 2.629 182 HA VAL 23 HA VAL 23 -1.472 4.444 1.728 183 HB VAL 23 HB VAL 23 0.370 6.838 1.651 184 1HG1 VAL 23 1HG1 VAL 23 1.469 4.707 1.119 185 2HG1 VAL 23 2HG1 VAL 23 1.367 5.767 -0.287 186 3HG1 VAL 23 3HG1 VAL 23 0.258 4.405 -0.127 187 1HG2 VAL 23 1HG2 VAL 23 -0.708 7.595 -0.242 188 2HG2 VAL 23 2HG2 VAL 23 -2.062 6.991 0.713 189 3HG2 VAL 23 3HG2 VAL 23 -1.407 6.017 -0.604 190 H GLU 24 H GLU 24 0.037 6.364 4.267 191 HA GLU 24 HA GLU 24 2.299 4.814 4.747 192 1HB GLU 24 2HB GLU 24 2.197 6.884 5.856 193 2HB GLU 24 1HB GLU 24 0.602 6.553 6.517 194 1HG GLU 24 2HG GLU 24 1.423 5.219 8.200 195 2HG GLU 24 1HG GLU 24 2.908 4.848 7.324 196 H ASN 25 H ASN 25 -0.995 4.491 6.007 197 HA ASN 25 HA ASN 25 -0.492 2.358 7.772 198 1HB ASN 25 2HB ASN 25 -2.547 3.467 8.071 199 2HB ASN 25 1HB ASN 25 -2.967 3.337 6.365 200 1HD2 ASN 25 1HD2 ASN 25 -4.998 2.528 7.213 201 2HD2 ASN 25 2HD2 ASN 25 -5.133 0.853 7.613 202 H PHE 26 H PHE 26 -1.661 2.385 4.415 203 HA PHE 26 HA PHE 26 -1.943 -0.357 4.056 204 1HB PHE 26 2HB PHE 26 -2.669 1.441 2.455 205 2HB PHE 26 1HB PHE 26 -0.988 1.593 1.953 206 HD1 PHE 26 HD1 PHE 26 -2.557 -1.619 2.814 207 HD2 PHE 26 HD2 PHE 26 -1.348 0.994 -0.332 208 HE1 PHE 26 HE1 PHE 26 -2.883 -3.438 1.184 209 HE2 PHE 26 HE2 PHE 26 -1.674 -0.820 -1.969 210 HZ PHE 26 HZ PHE 26 -2.443 -3.039 -1.211 211 H LYS 27 H LYS 27 0.917 1.689 3.754 212 HA LYS 27 HA LYS 27 2.642 -0.276 2.693 213 1HB LYS 27 2HB LYS 27 3.267 2.179 4.342 214 2HB LYS 27 1HB LYS 27 4.465 1.219 3.484 215 1HG LYS 27 2HG LYS 27 2.433 1.907 1.637 216 2HG LYS 27 1HG LYS 27 2.885 3.367 2.519 217 1HD LYS 27 2HD LYS 27 5.322 2.529 2.054 218 2HD LYS 27 1HD LYS 27 4.545 1.623 0.754 219 1HE LYS 27 2HE LYS 27 5.217 3.646 -0.230 220 2HE LYS 27 1HE LYS 27 3.487 3.830 0.063 221 1HZ LYS 27 1HZ LYS 27 3.856 5.542 1.404 222 2HZ LYS 27 2HZ LYS 27 5.462 5.540 0.874 223 3HZ LYS 27 3HZ LYS 27 5.039 4.713 2.286 224 H ALA 28 H ALA 28 1.792 0.631 5.989 225 HA ALA 28 HA ALA 28 3.757 -0.893 7.316 226 1HB ALA 28 1HB ALA 28 1.457 0.672 8.037 227 2HB ALA 28 2HB ALA 28 2.882 0.269 8.995 228 3HB ALA 28 3HB ALA 28 1.497 -0.824 8.971 229 H LYS 29 H LYS 29 0.539 -1.674 6.120 230 HA LYS 29 HA LYS 29 0.384 -4.242 7.329 231 1HB LYS 29 2HB LYS 29 -1.105 -2.861 5.121 232 2HB LYS 29 1HB LYS 29 -1.365 -4.573 5.423 233 1HG LYS 29 2HG LYS 29 -1.926 -3.997 7.784 234 2HG LYS 29 1HG LYS 29 -1.845 -2.294 7.326 235 1HD LYS 29 2HD LYS 29 -3.522 -2.978 5.465 236 2HD LYS 29 1HD LYS 29 -3.813 -4.387 6.490 237 1HE LYS 29 2HE LYS 29 -4.268 -2.819 8.380 238 2HE LYS 29 1HE LYS 29 -4.165 -1.487 7.228 239 1HZ LYS 29 1HZ LYS 29 -6.324 -3.290 7.722 240 2HZ LYS 29 2HZ LYS 29 -5.914 -3.244 6.082 241 3HZ LYS 29 3HZ LYS 29 -6.321 -1.816 6.891 242 H ILE 30 H ILE 30 1.164 -3.175 4.024 243 HA ILE 30 HA ILE 30 1.629 -5.637 2.859 244 HB ILE 30 HB ILE 30 3.100 -3.050 2.338 245 1HG1 ILE 30 2HG1 ILE 30 0.726 -4.284 0.923 246 2HG1 ILE 30 1HG1 ILE 30 0.632 -2.948 2.066 247 1HG2 ILE 30 1HG2 ILE 30 2.936 -5.582 0.715 248 2HG2 ILE 30 2HG2 ILE 30 4.377 -4.863 1.431 249 3HG2 ILE 30 3HG2 ILE 30 3.551 -4.047 0.104 250 1HD1 ILE 30 1HD1 ILE 30 2.111 -2.901 -0.552 251 2HD1 ILE 30 2HD1 ILE 30 1.952 -1.560 0.582 252 3HD1 ILE 30 3HD1 ILE 30 0.528 -2.187 -0.247 253 H GLN 31 H GLN 31 3.746 -3.704 4.903 254 HA GLN 31 HA GLN 31 6.122 -5.145 4.500 255 1HB GLN 31 2HB GLN 31 6.048 -2.949 5.600 256 2HB GLN 31 1HB GLN 31 5.203 -3.659 6.968 257 1HG GLN 31 2HG GLN 31 7.445 -5.227 6.759 258 2HG GLN 31 1HG GLN 31 8.040 -3.623 6.330 259 1HE2 GLN 31 1HE2 GLN 31 9.005 -2.804 8.043 260 2HE2 GLN 31 2HE2 GLN 31 8.380 -2.795 9.654 261 H ASP 32 H ASP 32 3.529 -5.558 6.886 262 HA ASP 32 HA ASP 32 4.768 -7.719 8.246 263 1HB ASP 32 2HB ASP 32 2.437 -6.165 8.566 264 2HB ASP 32 1HB ASP 32 1.896 -7.836 8.433 265 H LYS 33 H LYS 33 3.492 -7.546 5.176 266 HA LYS 33 HA LYS 33 2.703 -10.376 5.153 267 1HB LYS 33 2HB LYS 33 2.039 -8.041 3.395 268 2HB LYS 33 1HB LYS 33 1.906 -9.677 2.764 269 1HG LYS 33 2HG LYS 33 0.629 -9.468 5.336 270 2HG LYS 33 1HG LYS 33 -0.003 -8.262 4.214 271 1HD LYS 33 2HD LYS 33 -0.042 -10.328 2.568 272 2HD LYS 33 1HD LYS 33 -0.114 -11.235 4.079 273 1HE LYS 33 2HE LYS 33 -2.099 -9.378 2.874 274 2HE LYS 33 1HE LYS 33 -2.347 -10.924 3.684 275 1HZ LYS 33 1HZ LYS 33 -2.199 -8.250 4.802 276 2HZ LYS 33 2HZ LYS 33 -1.418 -9.455 5.696 277 3HZ LYS 33 3HZ LYS 33 -3.064 -9.602 5.336 278 H GLU 34 H GLU 34 4.620 -8.018 3.304 279 HA GLU 34 HA GLU 34 6.054 -10.234 2.029 280 1HB GLU 34 2HB GLU 34 5.573 -7.382 1.339 281 2HB GLU 34 1HB GLU 34 7.082 -8.101 0.796 282 1HG GLU 34 2HG GLU 34 5.207 -9.992 0.112 283 2HG GLU 34 1HG GLU 34 4.375 -8.467 -0.190 284 H GLY 35 H GLY 35 6.398 -7.904 4.500 285 1HA GLY 35 2HA GLY 35 8.119 -7.533 5.980 286 2HA GLY 35 1HA GLY 35 8.951 -8.901 5.258 287 H ILE 36 H ILE 36 8.033 -5.582 4.327 288 HA ILE 36 HA ILE 36 10.825 -5.115 3.550 289 HB ILE 36 HB ILE 36 8.556 -4.132 1.835 290 1HG1 ILE 36 2HG1 ILE 36 10.251 -6.477 1.049 291 2HG1 ILE 36 1HG1 ILE 36 8.834 -6.733 2.064 292 1HG2 ILE 36 1HG2 ILE 36 10.193 -3.536 0.293 293 2HG2 ILE 36 2HG2 ILE 36 11.398 -4.604 1.013 294 3HG2 ILE 36 3HG2 ILE 36 10.923 -3.123 1.844 295 1HD1 ILE 36 1HD1 ILE 36 8.344 -7.089 -0.295 296 2HD1 ILE 36 2HD1 ILE 36 8.826 -5.429 -0.647 297 3HD1 ILE 36 3HD1 ILE 36 7.416 -5.743 0.364 298 HA PRO 37 HA PRO 37 10.151 -1.469 5.996 299 1HB PRO 37 2HB PRO 37 12.377 -0.105 5.173 300 2HB PRO 37 1HB PRO 37 12.409 -1.400 6.375 301 1HG PRO 37 2HG PRO 37 13.054 -1.508 3.454 302 2HG PRO 37 1HG PRO 37 13.898 -2.268 4.816 303 1HD PRO 37 2HD PRO 37 12.225 -3.653 3.225 304 2HD PRO 37 1HD PRO 37 12.371 -3.999 4.960 305 HA PRO 38 HA PRO 38 7.773 1.014 3.145 306 1HB PRO 38 2HB PRO 38 8.282 3.004 5.317 307 2HB PRO 38 1HB PRO 38 6.768 2.591 4.504 308 1HG PRO 38 2HG PRO 38 7.288 1.677 6.951 309 2HG PRO 38 1HG PRO 38 6.473 0.656 5.753 310 1HD PRO 38 2HD PRO 38 9.277 0.541 6.749 311 2HD PRO 38 1HD PRO 38 8.219 -0.770 6.190 312 H ASP 39 H ASP 39 10.794 2.029 4.630 313 HA ASP 39 HA ASP 39 11.313 4.360 3.232 314 1HB ASP 39 2HB ASP 39 13.357 2.262 3.988 315 2HB ASP 39 1HB ASP 39 13.660 3.975 3.711 316 H GLN 40 H GLN 40 11.169 1.142 2.068 317 HA GLN 40 HA GLN 40 12.235 2.043 -0.524 318 1HB GLN 40 2HB GLN 40 12.513 -0.713 0.688 319 2HB GLN 40 1HB GLN 40 13.051 -0.247 -0.920 320 1HG GLN 40 2HG GLN 40 14.671 1.270 0.012 321 2HG GLN 40 1HG GLN 40 14.074 0.959 1.640 322 1HE2 GLN 40 1HE2 GLN 40 15.403 -0.270 2.742 323 2HE2 GLN 40 2HE2 GLN 40 16.322 -1.597 2.127 324 H GLN 41 H GLN 41 9.471 1.880 0.646 325 HA GLN 41 HA GLN 41 8.256 -0.118 -1.117 326 1HB GLN 41 2HB GLN 41 7.291 1.417 1.271 327 2HB GLN 41 1HB GLN 41 6.130 0.725 0.147 328 1HG GLN 41 2HG GLN 41 7.512 -1.457 0.513 329 2HG GLN 41 1HG GLN 41 8.036 -0.639 1.985 330 1HE2 GLN 41 1HE2 GLN 41 6.995 -1.815 3.484 331 2HE2 GLN 41 2HE2 GLN 41 5.277 -1.974 3.588 332 H ARG 42 H ARG 42 7.971 0.623 -3.119 333 HA ARG 42 HA ARG 42 6.924 3.353 -3.468 334 1HB ARG 42 2HB ARG 42 8.946 3.331 -4.611 335 2HB ARG 42 1HB ARG 42 8.758 1.660 -5.121 336 1HG ARG 42 2HG ARG 42 7.053 2.318 -6.723 337 2HG ARG 42 1HG ARG 42 7.184 3.996 -6.187 338 1HD ARG 42 2HD ARG 42 9.790 3.281 -6.762 339 2HD ARG 42 1HD ARG 42 8.857 2.493 -8.029 340 HE ARG 42 HE ARG 42 9.015 5.377 -7.519 341 1HH1 ARG 42 2HH1 ARG 42 7.911 2.740 -9.539 342 2HH1 ARG 42 1HH1 ARG 42 7.551 3.766 -10.883 343 1HH2 ARG 42 1HH2 ARG 42 8.532 6.713 -9.288 344 2HH2 ARG 42 2HH2 ARG 42 7.899 6.017 -10.742 345 H LEU 43 H LEU 43 4.784 3.276 -3.701 346 HA LEU 43 HA LEU 43 3.580 1.051 -5.182 347 1HB LEU 43 2HB LEU 43 2.047 3.173 -3.717 348 2HB LEU 43 1HB LEU 43 1.550 1.539 -4.114 349 HG LEU 43 HG LEU 43 3.548 2.353 -2.005 350 1HD1 LEU 43 1HD1 LEU 43 1.878 1.200 -0.526 351 2HD1 LEU 43 2HD1 LEU 43 0.778 1.183 -1.904 352 3HD1 LEU 43 3HD1 LEU 43 1.333 2.718 -1.238 353 1HD2 LEU 43 1HD2 LEU 43 3.695 0.067 -3.482 354 2HD2 LEU 43 2HD2 LEU 43 2.684 -0.441 -2.129 355 3HD2 LEU 43 3HD2 LEU 43 4.281 0.244 -1.828 356 H ILE 44 H ILE 44 2.630 1.309 -7.116 357 HA ILE 44 HA ILE 44 2.373 4.058 -8.154 358 HB ILE 44 HB ILE 44 3.000 1.630 -9.830 359 1HG1 ILE 44 2HG1 ILE 44 4.848 2.082 -8.262 360 2HG1 ILE 44 1HG1 ILE 44 5.307 2.443 -9.923 361 1HG2 ILE 44 1HG2 ILE 44 2.804 4.573 -10.354 362 2HG2 ILE 44 2HG2 ILE 44 2.038 3.236 -11.212 363 3HG2 ILE 44 3HG2 ILE 44 3.768 3.524 -11.393 364 1HD1 ILE 44 1HD1 ILE 44 5.953 4.444 -9.257 365 2HD1 ILE 44 2HD1 ILE 44 5.343 4.138 -7.630 366 3HD1 ILE 44 3HD1 ILE 44 4.278 4.823 -8.857 367 H PHE 45 H PHE 45 0.218 4.385 -7.892 368 HA PHE 45 HA PHE 45 -1.616 2.399 -9.059 369 1HB PHE 45 2HB PHE 45 -2.222 2.724 -6.799 370 2HB PHE 45 1HB PHE 45 -1.985 4.465 -6.899 371 HD1 PHE 45 HD1 PHE 45 -4.260 1.695 -7.536 372 HD2 PHE 45 HD2 PHE 45 -3.654 5.895 -7.964 373 HE1 PHE 45 HE1 PHE 45 -6.662 1.990 -8.006 374 HE2 PHE 45 HE2 PHE 45 -6.055 6.197 -8.434 375 HZ PHE 45 HZ PHE 45 -7.562 4.243 -8.455 376 H ALA 46 H ALA 46 -2.479 2.890 -10.966 377 HA ALA 46 HA ALA 46 -2.981 4.072 -12.857 378 1HB ALA 46 1HB ALA 46 -5.005 4.635 -11.978 379 2HB ALA 46 2HB ALA 46 -4.329 6.251 -12.180 380 3HB ALA 46 3HB ALA 46 -4.299 5.474 -10.597 381 H GLY 47 H GLY 47 -0.391 4.446 -12.479 382 1HA GLY 47 2HA GLY 47 1.379 5.847 -12.902 383 2HA GLY 47 1HA GLY 47 0.214 6.830 -13.775 384 H LYS 48 H LYS 48 -0.221 6.219 -10.390 385 HA LYS 48 HA LYS 48 0.762 8.921 -9.764 386 1HB LYS 48 2HB LYS 48 -1.886 8.318 -9.888 387 2HB LYS 48 1HB LYS 48 -1.547 7.964 -8.199 388 1HG LYS 48 2HG LYS 48 -1.260 10.130 -7.664 389 2HG LYS 48 1HG LYS 48 -0.483 10.518 -9.200 390 1HD LYS 48 2HD LYS 48 -3.185 9.839 -9.738 391 2HD LYS 48 1HD LYS 48 -3.173 10.986 -8.397 392 1HE LYS 48 2HE LYS 48 -3.143 12.477 -10.108 393 2HE LYS 48 1HE LYS 48 -1.407 12.196 -9.981 394 1HZ LYS 48 1HZ LYS 48 -2.961 10.446 -11.739 395 2HZ LYS 48 2HZ LYS 48 -1.367 10.988 -11.894 396 3HZ LYS 48 3HZ LYS 48 -2.651 12.025 -12.266 397 H GLN 49 H GLN 49 2.384 8.749 -8.377 398 HA GLN 49 HA GLN 49 2.916 6.427 -6.849 399 1HB GLN 49 2HB GLN 49 4.391 8.572 -7.638 400 2HB GLN 49 1HB GLN 49 4.139 8.953 -5.940 401 1HG GLN 49 2HG GLN 49 5.071 6.785 -5.313 402 2HG GLN 49 1HG GLN 49 5.329 6.407 -7.016 403 1HE2 GLN 49 1HE2 GLN 49 6.708 7.645 -4.259 404 2HE2 GLN 49 2HE2 GLN 49 8.070 8.438 -4.967 405 H LEU 50 H LEU 50 2.277 5.837 -4.872 406 HA LEU 50 HA LEU 50 0.319 7.413 -3.488 407 1HB LEU 50 2HB LEU 50 1.673 4.829 -2.710 408 2HB LEU 50 1HB LEU 50 0.308 5.543 -1.871 409 HG LEU 50 HG LEU 50 0.385 4.190 -4.538 410 1HD1 LEU 50 1HD1 LEU 50 -0.238 3.107 -2.296 411 2HD1 LEU 50 2HD1 LEU 50 -1.321 2.865 -3.667 412 3HD1 LEU 50 3HD1 LEU 50 -1.728 4.043 -2.419 413 1HD2 LEU 50 1HD2 LEU 50 -2.029 5.087 -4.746 414 2HD2 LEU 50 2HD2 LEU 50 -0.687 6.118 -5.245 415 3HD2 LEU 50 3HD2 LEU 50 -1.467 6.379 -3.686 416 H GLU 51 H GLU 51 0.727 8.944 -2.040 417 HA GLU 51 HA GLU 51 3.385 9.060 -0.810 418 1HB GLU 51 2HB GLU 51 1.231 11.178 -0.831 419 2HB GLU 51 1HB GLU 51 2.903 11.381 -0.326 420 1HG GLU 51 2HG GLU 51 2.372 10.445 -3.093 421 2HG GLU 51 1HG GLU 51 2.069 12.137 -2.703 422 H ASP 52 H ASP 52 3.666 9.334 1.419 423 HA ASP 52 HA ASP 52 1.801 7.914 3.038 424 1HB ASP 52 2HB ASP 52 4.366 9.378 3.629 425 2HB ASP 52 1HB ASP 52 3.401 8.638 4.904 426 H GLY 53 H GLY 53 1.512 10.942 1.900 427 1HA GLY 53 2HA GLY 53 0.366 11.991 4.405 428 2HA GLY 53 1HA GLY 53 0.930 12.989 3.072 429 H ARG 54 H ARG 54 -0.478 10.616 1.468 430 HA ARG 54 HA ARG 54 -3.081 11.988 1.423 431 1HB ARG 54 2HB ARG 54 -1.788 10.266 -0.700 432 2HB ARG 54 1HB ARG 54 -3.329 11.099 -0.852 433 1HG ARG 54 2HG ARG 54 -0.571 12.259 -0.752 434 2HG ARG 54 1HG ARG 54 -1.818 12.461 -1.984 435 1HD ARG 54 2HD ARG 54 -3.190 13.682 -0.301 436 2HD ARG 54 1HD ARG 54 -1.824 13.590 0.810 437 HE ARG 54 HE ARG 54 -0.795 14.725 -1.451 438 1HH1 ARG 54 2HH1 ARG 54 -3.426 15.465 0.707 439 2HH1 ARG 54 1HH1 ARG 54 -3.330 17.174 0.447 440 1HH2 ARG 54 1HH2 ARG 54 -0.660 16.974 -1.801 441 2HH2 ARG 54 2HH2 ARG 54 -1.757 18.033 -0.980 442 H THR 55 H THR 55 -4.952 10.569 0.780 443 HA THR 55 HA THR 55 -4.756 7.975 2.167 444 HB THR 55 HB THR 55 -6.932 8.213 3.011 445 HG1 THR 55 HG1 THR 55 -8.390 9.108 1.779 446 1HG2 THR 55 1HG2 THR 55 -6.618 11.044 3.368 447 2HG2 THR 55 2HG2 THR 55 -5.046 10.251 3.478 448 3HG2 THR 55 3HG2 THR 55 -6.366 9.742 4.531 449 H LEU 56 H LEU 56 -6.557 6.434 1.470 450 HA LEU 56 HA LEU 56 -6.258 5.844 -1.255 451 1HB LEU 56 2HB LEU 56 -8.407 4.886 0.640 452 2HB LEU 56 1HB LEU 56 -7.992 4.145 -0.895 453 HG LEU 56 HG LEU 56 -6.582 4.014 1.715 454 1HD1 LEU 56 1HD1 LEU 56 -7.011 1.854 1.452 455 2HD1 LEU 56 2HD1 LEU 56 -6.188 1.831 -0.107 456 3HD1 LEU 56 3HD1 LEU 56 -7.899 2.252 -0.019 457 1HD2 LEU 56 1HD2 LEU 56 -4.472 3.410 0.631 458 2HD2 LEU 56 2HD2 LEU 56 -4.911 5.088 0.313 459 3HD2 LEU 56 3HD2 LEU 56 -5.148 3.863 -0.933 460 H SER 57 H SER 57 -8.941 7.327 0.522 461 HA SER 57 HA SER 57 -10.753 7.535 -1.593 462 1HB SER 57 2HB SER 57 -11.984 9.004 -0.231 463 2HB SER 57 1HB SER 57 -11.098 8.011 0.927 464 HG SER 57 HG SER 57 -10.959 10.236 1.428 465 H ASP 58 H ASP 58 -8.000 9.510 -0.719 466 HA ASP 58 HA ASP 58 -8.568 11.768 -2.291 467 1HB ASP 58 2HB ASP 58 -5.969 10.577 -1.325 468 2HB ASP 58 1HB ASP 58 -6.039 12.081 -2.239 469 H TYR 59 H TYR 59 -7.310 8.625 -3.087 470 HA TYR 59 HA TYR 59 -6.661 9.496 -5.809 471 1HB TYR 59 2HB TYR 59 -6.139 6.853 -4.431 472 2HB TYR 59 1HB TYR 59 -5.612 7.280 -6.055 473 HD1 TYR 59 HD1 TYR 59 -4.099 9.410 -6.236 474 HD2 TYR 59 HD2 TYR 59 -4.713 7.211 -2.635 475 HE1 TYR 59 HE1 TYR 59 -2.016 10.348 -5.315 476 HE2 TYR 59 HE2 TYR 59 -2.633 8.144 -1.704 477 HH TYR 59 HH TYR 59 -1.094 10.782 -2.914 478 H ASN 60 H ASN 60 -9.361 8.674 -4.310 479 HA ASN 60 HA ASN 60 -11.372 7.822 -4.945 480 1HB ASN 60 2HB ASN 60 -10.027 8.507 -7.480 481 2HB ASN 60 1HB ASN 60 -11.344 7.345 -7.627 482 1HD2 ASN 60 1HD2 ASN 60 -12.961 8.481 -8.454 483 2HD2 ASN 60 2HD2 ASN 60 -13.596 9.945 -7.792 484 H ILE 61 H ILE 61 -9.769 5.980 -3.837 485 HA ILE 61 HA ILE 61 -9.594 3.647 -5.557 486 HB ILE 61 HB ILE 61 -8.880 4.081 -2.659 487 1HG1 ILE 61 2HG1 ILE 61 -7.034 3.306 -4.903 488 2HG1 ILE 61 1HG1 ILE 61 -7.469 4.992 -4.638 489 1HG2 ILE 61 1HG2 ILE 61 -8.923 1.890 -2.320 490 2HG2 ILE 61 2HG2 ILE 61 -7.780 1.664 -3.644 491 3HG2 ILE 61 3HG2 ILE 61 -9.514 1.636 -3.961 492 1HD1 ILE 61 1HD1 ILE 61 -5.412 3.576 -3.431 493 2HD1 ILE 61 2HD1 ILE 61 -6.643 3.747 -2.180 494 3HD1 ILE 61 3HD1 ILE 61 -6.006 5.177 -2.991 495 H GLN 62 H GLN 62 -10.966 1.957 -5.578 496 HA GLN 62 HA GLN 62 -13.353 2.152 -3.886 497 1HB GLN 62 2HB GLN 62 -12.799 0.834 -6.530 498 2HB GLN 62 1HB GLN 62 -14.197 0.374 -5.567 499 1HG GLN 62 2HG GLN 62 -14.545 2.118 -7.379 500 2HG GLN 62 1HG GLN 62 -15.182 2.478 -5.776 501 1HE2 GLN 62 1HE2 GLN 62 -12.348 2.992 -7.827 502 2HE2 GLN 62 2HE2 GLN 62 -11.979 4.569 -7.224 503 H LYS 63 H LYS 63 -14.350 -0.227 -3.605 504 HA LYS 63 HA LYS 63 -12.559 -1.547 -1.822 505 1HB LYS 63 2HB LYS 63 -14.402 -3.014 -1.332 506 2HB LYS 63 1HB LYS 63 -15.010 -1.369 -1.447 507 1HG LYS 63 2HG LYS 63 -15.684 -1.897 -3.810 508 2HG LYS 63 1HG LYS 63 -15.290 -3.582 -3.461 509 1HD LYS 63 2HD LYS 63 -16.979 -2.404 -1.416 510 2HD LYS 63 1HD LYS 63 -17.721 -2.332 -3.015 511 1HE LYS 63 2HE LYS 63 -16.575 -4.818 -1.749 512 2HE LYS 63 1HE LYS 63 -18.286 -4.395 -1.771 513 1HZ LYS 63 1HZ LYS 63 -16.654 -4.727 -4.225 514 2HZ LYS 63 2HZ LYS 63 -18.336 -4.577 -4.122 515 3HZ LYS 63 3HZ LYS 63 -17.576 -5.972 -3.541 516 H GLU 64 H GLU 64 -12.633 -1.640 -5.091 517 HA GLU 64 HA GLU 64 -11.595 -4.389 -5.128 518 1HB GLU 64 2HB GLU 64 -13.600 -3.111 -6.945 519 2HB GLU 64 1HB GLU 64 -12.516 -4.338 -7.586 520 1HG GLU 64 2HG GLU 64 -13.353 -5.660 -5.451 521 2HG GLU 64 1HG GLU 64 -14.741 -4.591 -5.648 522 H SER 65 H SER 65 -10.476 -1.539 -5.076 523 HA SER 65 HA SER 65 -9.137 -1.243 -7.600 524 1HB SER 65 2HB SER 65 -8.724 0.132 -4.935 525 2HB SER 65 1HB SER 65 -7.887 0.575 -6.423 526 HG SER 65 HG SER 65 -9.830 1.174 -7.321 527 H THR 66 H THR 66 -6.916 -1.505 -8.011 528 HA THR 66 HA THR 66 -5.515 -3.264 -6.103 529 HB THR 66 HB THR 66 -5.521 -3.387 -9.120 530 HG1 THR 66 HG1 THR 66 -7.186 -4.582 -8.292 531 1HG2 THR 66 1HG2 THR 66 -3.892 -5.217 -8.893 532 2HG2 THR 66 2HG2 THR 66 -3.778 -4.889 -7.164 533 3HG2 THR 66 3HG2 THR 66 -3.235 -3.681 -8.328 534 H ILE 67 H ILE 67 -3.341 -2.933 -5.773 535 HA ILE 67 HA ILE 67 -2.170 -0.554 -7.061 536 HB ILE 67 HB ILE 67 -1.728 -1.409 -4.199 537 1HG1 ILE 67 2HG1 ILE 67 -2.887 1.177 -4.392 538 2HG1 ILE 67 1HG1 ILE 67 -3.858 0.094 -5.384 539 1HG2 ILE 67 1HG2 ILE 67 0.161 -0.240 -4.511 540 2HG2 ILE 67 2HG2 ILE 67 -0.894 1.169 -4.395 541 3HG2 ILE 67 3HG2 ILE 67 -0.441 0.534 -5.976 542 1HD1 ILE 67 1HD1 ILE 67 -3.640 0.290 -2.497 543 2HD1 ILE 67 2HD1 ILE 67 -3.479 -1.361 -3.095 544 3HD1 ILE 67 3HD1 ILE 67 -4.911 -0.413 -3.497 545 H HIS 68 H HIS 68 0.059 -0.584 -7.452 546 HA HIS 68 HA HIS 68 1.212 -3.281 -7.529 547 1HB HIS 68 2HB HIS 68 1.643 -0.792 -9.146 548 2HB HIS 68 1HB HIS 68 2.902 -2.022 -9.081 549 HD1 HIS 68 HD1 HIS 68 2.648 -3.972 -10.622 550 HD2 HIS 68 HD2 HIS 68 -0.870 -1.793 -10.234 551 HE1 HIS 68 HE1 HIS 68 1.061 -4.950 -12.310 552 HE2 HIS 68 HE2 HIS 68 -1.053 -3.600 -12.076 553 H LEU 69 H LEU 69 3.009 -3.807 -6.427 554 HA LEU 69 HA LEU 69 4.188 -1.728 -4.720 555 1HB LEU 69 2HB LEU 69 3.385 -3.483 -3.386 556 2HB LEU 69 1HB LEU 69 3.981 -4.712 -4.487 557 HG LEU 69 HG LEU 69 6.296 -4.164 -3.829 558 1HD1 LEU 69 1HD1 LEU 69 5.586 -2.704 -1.425 559 2HD1 LEU 69 2HD1 LEU 69 5.196 -1.809 -2.894 560 3HD1 LEU 69 3HD1 LEU 69 6.843 -2.378 -2.619 561 1HD2 LEU 69 1HD2 LEU 69 4.905 -5.912 -2.678 562 2HD2 LEU 69 2HD2 LEU 69 4.595 -4.727 -1.410 563 3HD2 LEU 69 3HD2 LEU 69 6.243 -5.269 -1.727 564 H VAL 70 H VAL 70 6.210 -1.059 -5.028 565 HA VAL 70 HA VAL 70 8.028 -2.732 -6.627 566 HB VAL 70 HB VAL 70 8.247 0.219 -6.912 567 1HG1 VAL 70 1HG1 VAL 70 9.448 -2.014 -8.042 568 2HG1 VAL 70 2HG1 VAL 70 9.596 -0.344 -8.591 569 3HG1 VAL 70 3HG1 VAL 70 8.378 -1.403 -9.303 570 1HG2 VAL 70 1HG2 VAL 70 6.624 0.174 -8.798 571 2HG2 VAL 70 2HG2 VAL 70 5.881 -0.032 -7.212 572 3HG2 VAL 70 3HG2 VAL 70 6.116 -1.428 -8.265 573 H LEU 71 H LEU 71 10.331 -2.073 -6.384 574 HA LEU 71 HA LEU 71 10.883 -1.562 -3.577 575 1HB LEU 71 2HB LEU 71 12.143 -3.017 -5.704 576 2HB LEU 71 1HB LEU 71 13.289 -1.874 -5.028 577 HG LEU 71 HG LEU 71 13.090 -2.838 -2.846 578 1HD1 LEU 71 1HD1 LEU 71 10.546 -3.665 -3.777 579 2HD1 LEU 71 2HD1 LEU 71 11.213 -3.786 -2.149 580 3HD1 LEU 71 3HD1 LEU 71 11.442 -5.106 -3.296 581 1HD2 LEU 71 1HD2 LEU 71 13.229 -5.434 -3.965 582 2HD2 LEU 71 2HD2 LEU 71 14.552 -4.377 -3.472 583 3HD2 LEU 71 3HD2 LEU 71 13.938 -4.309 -5.123 584 H ARG 72 H ARG 72 11.493 -0.101 -6.725 585 HA ARG 72 HA ARG 72 11.794 2.140 -7.197 586 1HB ARG 72 2HB ARG 72 10.846 2.537 -4.842 587 2HB ARG 72 1HB ARG 72 12.521 2.645 -4.322 588 1HG ARG 72 2HG ARG 72 12.905 4.530 -5.758 589 2HG ARG 72 1HG ARG 72 11.295 4.369 -6.463 590 1HD ARG 72 2HD ARG 72 10.239 5.081 -4.504 591 2HD ARG 72 1HD ARG 72 11.667 4.778 -3.517 592 HE ARG 72 HE ARG 72 11.054 7.163 -4.966 593 1HH1 ARG 72 2HH1 ARG 72 13.658 5.173 -3.789 594 2HH1 ARG 72 1HH1 ARG 72 14.795 6.478 -3.715 595 1HH2 ARG 72 1HH2 ARG 72 12.543 8.888 -4.876 596 2HH2 ARG 72 2HH2 ARG 72 14.161 8.591 -4.334 597 H LEU 73 H LEU 73 13.898 -0.116 -6.122 598 HA LEU 73 HA LEU 73 16.125 -0.451 -6.465 599 1HB LEU 73 2HB LEU 73 16.095 2.263 -7.785 600 2HB LEU 73 1HB LEU 73 17.358 1.056 -7.922 601 HG LEU 73 HG LEU 73 14.974 -0.206 -8.743 602 1HD1 LEU 73 1HD1 LEU 73 15.252 2.601 -9.768 603 2HD1 LEU 73 2HD1 LEU 73 13.820 1.799 -9.120 604 3HD1 LEU 73 3HD1 LEU 73 14.452 1.337 -10.700 605 1HD2 LEU 73 1HD2 LEU 73 17.484 -0.295 -9.492 606 2HD2 LEU 73 2HD2 LEU 73 16.947 0.884 -10.688 607 3HD2 LEU 73 3HD2 LEU 73 16.191 -0.709 -10.618 608 H ARG 74 H ARG 74 18.294 0.396 -5.805 609 HA ARG 74 HA ARG 74 19.549 1.033 -3.992 610 1HB ARG 74 2HB ARG 74 18.874 3.190 -5.578 611 2HB ARG 74 1HB ARG 74 18.489 3.758 -3.960 612 1HG ARG 74 2HG ARG 74 20.739 3.312 -3.219 613 2HG ARG 74 1HG ARG 74 21.143 2.600 -4.784 614 1HD ARG 74 2HD ARG 74 22.007 4.806 -4.803 615 2HD ARG 74 1HD ARG 74 20.565 4.822 -5.818 616 HE ARG 74 HE ARG 74 19.664 5.561 -3.353 617 1HH1 ARG 74 2HH1 ARG 74 22.139 6.718 -5.511 618 2HH1 ARG 74 1HH1 ARG 74 22.015 8.362 -4.980 619 1HH2 ARG 74 1HH2 ARG 74 19.492 7.722 -2.647 620 2HH2 ARG 74 2HH2 ARG 74 20.510 8.933 -3.351 621 H GLY 75 H GLY 75 18.693 -0.076 -2.255 622 1HA GLY 75 2HA GLY 75 16.322 0.562 -0.901 623 2HA GLY 75 1HA GLY 75 17.665 -0.345 -0.220 624 H GLY 76 HN GLY 76 19.495 0.939 0.636 625 1HA GLY 76 2HA GLY 76 18.584 3.566 1.633 626 2HA GLY 76 1HA GLY 76 19.355 2.392 2.690 Start of MODEL 6 1 2H MET 1 2H MET 1 -12.085 -2.651 3.728 2 3H MET 1 3H MET 1 -12.909 -3.995 3.114 3 1H MET 1 1H MET 1 -13.641 -2.470 3.090 4 HA MET 1 HA MET 1 -12.955 -2.777 0.915 5 1HB MET 1 2HB MET 1 -12.211 -0.624 2.070 6 2HB MET 1 1HB MET 1 -10.606 -1.338 2.141 7 1HG MET 1 2HG MET 1 -11.020 -1.680 -0.436 8 2HG MET 1 1HG MET 1 -12.137 -0.338 -0.193 9 1HE MET 1 1HE MET 1 -9.942 2.437 -0.979 10 2HE MET 1 2HE MET 1 -11.201 2.301 0.248 11 3HE MET 1 3HE MET 1 -11.390 1.483 -1.302 12 H GLN 2 H GLN 2 -12.325 -4.599 -0.046 13 HA GLN 2 HA GLN 2 -9.783 -5.828 0.730 14 1HB GLN 2 2HB GLN 2 -12.306 -6.870 0.021 15 2HB GLN 2 1HB GLN 2 -11.211 -7.307 -1.283 16 1HG GLN 2 2HG GLN 2 -11.339 -9.033 0.446 17 2HG GLN 2 1HG GLN 2 -9.713 -8.373 0.281 18 1HE2 GLN 2 1HE2 GLN 2 -12.585 -8.452 2.264 19 2HE2 GLN 2 2HE2 GLN 2 -11.839 -7.879 3.712 20 H VAL 3 H VAL 3 -8.203 -4.731 -0.297 21 HA VAL 3 HA VAL 3 -8.436 -4.266 -3.182 22 HB VAL 3 HB VAL 3 -6.518 -2.799 -2.975 23 1HG1 VAL 3 1HG1 VAL 3 -8.857 -2.433 -1.186 24 2HG1 VAL 3 2HG1 VAL 3 -8.339 -1.489 -2.582 25 3HG1 VAL 3 3HG1 VAL 3 -7.519 -1.294 -1.032 26 1HG2 VAL 3 1HG2 VAL 3 -5.608 -2.331 -0.664 27 2HG2 VAL 3 2HG2 VAL 3 -5.167 -3.889 -1.364 28 3HG2 VAL 3 3HG2 VAL 3 -6.433 -3.798 -0.138 29 H PHE 4 H PHE 4 -6.538 -4.716 -4.541 30 HA PHE 4 HA PHE 4 -5.160 -7.162 -3.649 31 1HB PHE 4 2HB PHE 4 -5.681 -6.338 -6.508 32 2HB PHE 4 1HB PHE 4 -5.110 -7.900 -5.930 33 HD1 PHE 4 HD1 PHE 4 -8.025 -5.619 -5.969 34 HD2 PHE 4 HD2 PHE 4 -6.620 -9.589 -5.300 35 HE1 PHE 4 HE1 PHE 4 -10.354 -6.422 -5.864 36 HE2 PHE 4 HE2 PHE 4 -8.945 -10.400 -5.196 37 HZ PHE 4 HZ PHE 4 -10.816 -8.815 -5.478 38 H LEU 5 H LEU 5 -2.969 -7.315 -3.841 39 HA LEU 5 HA LEU 5 -1.568 -4.929 -4.857 40 1HB LEU 5 2HB LEU 5 -1.574 -5.555 -2.303 41 2HB LEU 5 1HB LEU 5 -0.357 -6.718 -2.793 42 HG LEU 5 HG LEU 5 0.600 -4.446 -3.952 43 1HD1 LEU 5 1HD1 LEU 5 0.287 -2.571 -2.640 44 2HD1 LEU 5 2HD1 LEU 5 -0.290 -3.506 -1.260 45 3HD1 LEU 5 3HD1 LEU 5 -1.327 -3.282 -2.668 46 1HD2 LEU 5 1HD2 LEU 5 1.430 -4.752 -1.165 47 2HD2 LEU 5 2HD2 LEU 5 2.368 -4.891 -2.652 48 3HD2 LEU 5 3HD2 LEU 5 1.415 -6.260 -2.080 49 H LYS 6 H LYS 6 0.005 -5.222 -6.328 50 HA LYS 6 HA LYS 6 0.618 -7.988 -7.107 51 1HB LYS 6 2HB LYS 6 1.288 -5.639 -8.830 52 2HB LYS 6 1HB LYS 6 0.875 -7.283 -9.298 53 1HG LYS 6 2HG LYS 6 -1.466 -6.790 -8.487 54 2HG LYS 6 1HG LYS 6 -0.972 -5.099 -8.384 55 1HD LYS 6 2HD LYS 6 -2.080 -5.531 -10.503 56 2HD LYS 6 1HD LYS 6 -0.380 -5.137 -10.765 57 1HE LYS 6 2HE LYS 6 -1.228 -7.050 -12.134 58 2HE LYS 6 1HE LYS 6 0.172 -7.428 -11.131 59 1HZ LYS 6 1HZ LYS 6 -2.656 -8.101 -10.523 60 2HZ LYS 6 2HZ LYS 6 -1.348 -8.407 -9.496 61 3HZ LYS 6 3HZ LYS 6 -1.446 -9.186 -10.994 62 H THR 7 H THR 7 2.665 -8.748 -7.087 63 HA THR 7 HA THR 7 4.733 -6.950 -6.031 64 HB THR 7 HB THR 7 5.931 -8.915 -5.307 65 HG1 THR 7 HG1 THR 7 5.547 -10.829 -6.142 66 1HG2 THR 7 1HG2 THR 7 2.987 -9.049 -4.655 67 2HG2 THR 7 2HG2 THR 7 4.239 -8.178 -3.769 68 3HG2 THR 7 3HG2 THR 7 4.236 -9.941 -3.787 69 H LEU 8 H LEU 8 7.029 -8.122 -6.724 70 HA LEU 8 HA LEU 8 7.248 -7.471 -9.518 71 1HB LEU 8 2HB LEU 8 9.297 -8.456 -7.532 72 2HB LEU 8 1HB LEU 8 9.665 -7.951 -9.171 73 HG LEU 8 HG LEU 8 8.663 -6.234 -6.907 74 1HD1 LEU 8 1HD1 LEU 8 11.227 -6.923 -7.761 75 2HD1 LEU 8 2HD1 LEU 8 10.781 -5.622 -6.656 76 3HD1 LEU 8 3HD1 LEU 8 10.951 -5.294 -8.380 77 1HD2 LEU 8 1HD2 LEU 8 8.715 -5.740 -9.854 78 2HD2 LEU 8 2HD2 LEU 8 8.982 -4.409 -8.729 79 3HD2 LEU 8 3HD2 LEU 8 7.476 -5.326 -8.668 80 H THR 9 H THR 9 6.460 -10.253 -7.850 81 HA THR 9 HA THR 9 7.613 -12.038 -9.872 82 HB THR 9 HB THR 9 7.213 -13.855 -8.413 83 HG1 THR 9 HG1 THR 9 5.208 -12.262 -7.489 84 1HG2 THR 9 1HG2 THR 9 8.005 -11.493 -6.704 85 2HG2 THR 9 2HG2 THR 9 9.088 -12.451 -7.713 86 3HG2 THR 9 3HG2 THR 9 8.301 -13.188 -6.318 87 H GLY 10 H GLY 10 4.602 -10.745 -8.701 88 1HA GLY 10 2HA GLY 10 2.758 -10.619 -10.283 89 2HA GLY 10 1HA GLY 10 3.210 -12.221 -10.845 90 H LYS 11 H LYS 11 3.020 -11.243 -7.472 91 HA LYS 11 HA LYS 11 0.918 -13.254 -7.089 92 1HB LYS 11 2HB LYS 11 3.080 -13.421 -5.801 93 2HB LYS 11 1HB LYS 11 2.619 -11.944 -4.966 94 1HG LYS 11 2HG LYS 11 1.235 -13.027 -3.599 95 2HG LYS 11 1HG LYS 11 0.523 -13.957 -4.919 96 1HD LYS 11 2HD LYS 11 1.607 -15.748 -4.173 97 2HD LYS 11 1HD LYS 11 3.126 -14.951 -4.589 98 1HE LYS 11 2HE LYS 11 3.283 -13.987 -2.392 99 2HE LYS 11 1HE LYS 11 1.683 -14.591 -1.968 100 1HZ LYS 11 1HZ LYS 11 2.551 -16.523 -1.364 101 2HZ LYS 11 2HZ LYS 11 4.093 -15.861 -1.570 102 3HZ LYS 11 3HZ LYS 11 3.361 -16.707 -2.839 103 H THR 12 H THR 12 -1.057 -12.737 -6.353 104 HA THR 12 HA THR 12 -1.614 -9.892 -5.885 105 HB THR 12 HB THR 12 -3.687 -12.023 -6.381 106 HG1 THR 12 HG1 THR 12 -2.201 -11.971 -8.149 107 1HG2 THR 12 1HG2 THR 12 -4.026 -9.254 -7.329 108 2HG2 THR 12 2HG2 THR 12 -3.983 -9.453 -5.578 109 3HG2 THR 12 3HG2 THR 12 -5.176 -10.330 -6.535 110 H VAL 13 H VAL 13 -1.996 -9.227 -3.882 111 HA VAL 13 HA VAL 13 -2.854 -11.215 -1.882 112 HB VAL 13 HB VAL 13 -1.708 -10.003 -0.188 113 1HG1 VAL 13 1HG1 VAL 13 0.205 -9.902 -2.501 114 2HG1 VAL 13 2HG1 VAL 13 -0.369 -11.428 -1.827 115 3HG1 VAL 13 3HG1 VAL 13 0.533 -10.301 -0.814 116 1HG2 VAL 13 1HG2 VAL 13 -1.801 -7.824 -2.156 117 2HG2 VAL 13 2HG2 VAL 13 -0.305 -7.929 -1.227 118 3HG2 VAL 13 3HG2 VAL 13 -1.853 -7.768 -0.394 119 H THR 14 H THR 14 -4.652 -10.840 -0.712 120 HA THR 14 HA THR 14 -6.149 -8.385 -1.310 121 HB THR 14 HB THR 14 -7.732 -10.280 0.135 122 HG1 THR 14 HG1 THR 14 -6.885 -12.075 -0.616 123 1HG2 THR 14 1HG2 THR 14 -8.741 -8.680 -1.307 124 2HG2 THR 14 2HG2 THR 14 -9.021 -10.259 -2.041 125 3HG2 THR 14 3HG2 THR 14 -7.763 -9.201 -2.679 126 H ILE 15 H ILE 15 -5.814 -6.855 0.173 127 HA ILE 15 HA ILE 15 -5.715 -7.651 3.010 128 HB ILE 15 HB ILE 15 -4.720 -5.030 1.914 129 1HG1 ILE 15 2HG1 ILE 15 -2.708 -7.049 2.640 130 2HG1 ILE 15 1HG1 ILE 15 -3.635 -7.442 1.195 131 1HG2 ILE 15 1HG2 ILE 15 -3.242 -5.625 4.112 132 2HG2 ILE 15 2HG2 ILE 15 -4.792 -6.358 4.528 133 3HG2 ILE 15 3HG2 ILE 15 -4.707 -4.643 4.125 134 1HD1 ILE 15 1HD1 ILE 15 -2.599 -4.693 1.346 135 2HD1 ILE 15 2HD1 ILE 15 -2.687 -5.807 -0.019 136 3HD1 ILE 15 3HD1 ILE 15 -1.399 -5.973 1.176 137 H GLU 16 H GLU 16 -6.825 -6.371 4.549 138 HA GLU 16 HA GLU 16 -9.176 -5.025 3.431 139 1HB GLU 16 2HB GLU 16 -10.146 -5.306 5.692 140 2HB GLU 16 1HB GLU 16 -9.682 -6.833 4.957 141 1HG GLU 16 2HG GLU 16 -7.521 -6.638 6.273 142 2HG GLU 16 1HG GLU 16 -8.311 -5.339 7.167 143 H VAL 17 H VAL 17 -9.393 -2.892 3.542 144 HA VAL 17 HA VAL 17 -8.000 -1.399 5.639 145 HB VAL 17 HB VAL 17 -6.994 0.162 4.186 146 1HG1 VAL 17 1HG1 VAL 17 -5.300 -1.138 3.512 147 2HG1 VAL 17 2HG1 VAL 17 -6.333 -2.089 2.443 148 3HG1 VAL 17 3HG1 VAL 17 -6.253 -2.472 4.163 149 1HG2 VAL 17 1HG2 VAL 17 -8.557 0.650 2.545 150 2HG2 VAL 17 2HG2 VAL 17 -8.759 -1.043 2.091 151 3HG2 VAL 17 3HG2 VAL 17 -7.292 -0.177 1.634 152 H GLU 18 H GLU 18 -8.709 0.959 5.613 153 HA GLU 18 HA GLU 18 -11.578 1.079 4.954 154 1HB GLU 18 2HB GLU 18 -10.006 2.019 7.299 155 2HB GLU 18 1HB GLU 18 -11.363 3.011 6.786 156 1HG GLU 18 2HG GLU 18 -12.174 0.274 6.868 157 2HG GLU 18 1HG GLU 18 -11.402 0.707 8.393 158 HA PRO 19 HA PRO 19 -10.962 4.302 2.020 159 1HB PRO 19 2HB PRO 19 -13.206 5.630 3.477 160 2HB PRO 19 1HB PRO 19 -13.006 5.339 1.745 161 1HG PRO 19 2HG PRO 19 -14.649 3.824 3.191 162 2HG PRO 19 1HG PRO 19 -13.648 3.114 1.913 163 1HD PRO 19 2HD PRO 19 -13.325 2.976 4.871 164 2HD PRO 19 1HD PRO 19 -12.920 1.771 3.632 165 H SER 20 H SER 20 -11.485 5.201 5.403 166 HA SER 20 HA SER 20 -10.197 7.760 5.090 167 1HB SER 20 2HB SER 20 -10.578 8.012 7.498 168 2HB SER 20 1HB SER 20 -12.045 7.461 6.689 169 HG SER 20 HG SER 20 -10.579 6.246 8.625 170 H ASP 21 H ASP 21 -8.726 5.087 4.685 171 HA ASP 21 HA ASP 21 -6.682 5.218 6.738 172 1HB ASP 21 2HB ASP 21 -7.223 3.399 4.409 173 2HB ASP 21 1HB ASP 21 -5.645 3.391 5.192 174 H THR 22 H THR 22 -4.537 5.796 6.399 175 HA THR 22 HA THR 22 -4.120 7.594 4.131 176 HB THR 22 HB THR 22 -2.200 8.455 5.353 177 HG1 THR 22 HG1 THR 22 -1.466 6.617 6.415 178 1HG2 THR 22 1HG2 THR 22 -3.580 8.886 7.629 179 2HG2 THR 22 2HG2 THR 22 -4.881 8.319 6.583 180 3HG2 THR 22 3HG2 THR 22 -3.919 9.720 6.113 181 H VAL 23 H VAL 23 -2.073 7.586 2.991 182 HA VAL 23 HA VAL 23 -1.416 5.193 1.816 183 HB VAL 23 HB VAL 23 0.287 7.659 2.167 184 1HG1 VAL 23 1HG1 VAL 23 2.031 6.524 1.393 185 2HG1 VAL 23 2HG1 VAL 23 1.132 6.222 -0.094 186 3HG1 VAL 23 3HG1 VAL 23 1.059 5.062 1.232 187 1HG2 VAL 23 1HG2 VAL 23 -0.325 7.625 -0.419 188 2HG2 VAL 23 2HG2 VAL 23 -1.386 8.351 0.788 189 3HG2 VAL 23 3HG2 VAL 23 -1.715 6.726 0.187 190 H GLU 24 H GLU 24 0.177 6.760 4.573 191 HA GLU 24 HA GLU 24 2.304 5.030 4.928 192 1HB GLU 24 2HB GLU 24 2.027 7.094 6.218 193 2HB GLU 24 1HB GLU 24 0.651 6.396 7.062 194 1HG GLU 24 2HG GLU 24 3.282 5.003 7.167 195 2HG GLU 24 1HG GLU 24 3.018 6.435 8.160 196 H ASN 25 H ASN 25 -0.981 4.772 6.261 197 HA ASN 25 HA ASN 25 -0.652 2.432 7.722 198 1HB ASN 25 2HB ASN 25 -2.771 4.110 7.088 199 2HB ASN 25 1HB ASN 25 -3.241 2.564 6.388 200 1HD2 ASN 25 1HD2 ASN 25 -4.379 4.001 8.641 201 2HD2 ASN 25 2HD2 ASN 25 -4.283 2.930 9.994 202 H PHE 26 H PHE 26 -1.625 2.844 4.331 203 HA PHE 26 HA PHE 26 -2.076 0.195 3.666 204 1HB PHE 26 2HB PHE 26 -2.479 2.210 2.208 205 2HB PHE 26 1HB PHE 26 -0.755 2.225 1.856 206 HD1 PHE 26 HD1 PHE 26 -1.949 -1.079 2.295 207 HD2 PHE 26 HD2 PHE 26 -1.732 2.102 -0.536 208 HE1 PHE 26 HE1 PHE 26 -2.312 -2.690 0.464 209 HE2 PHE 26 HE2 PHE 26 -2.096 0.499 -2.372 210 HZ PHE 26 HZ PHE 26 -2.387 -1.900 -1.873 211 H LYS 27 H LYS 27 0.982 2.004 3.563 212 HA LYS 27 HA LYS 27 2.584 -0.076 2.574 213 1HB LYS 27 2HB LYS 27 3.445 2.134 4.448 214 2HB LYS 27 1HB LYS 27 4.477 1.215 3.362 215 1HG LYS 27 2HG LYS 27 3.411 2.200 1.440 216 2HG LYS 27 1HG LYS 27 2.250 3.035 2.473 217 1HD LYS 27 2HD LYS 27 3.656 4.737 2.729 218 2HD LYS 27 1HD LYS 27 4.895 3.649 3.359 219 1HE LYS 27 2HE LYS 27 5.621 3.144 1.086 220 2HE LYS 27 1HE LYS 27 4.364 4.199 0.441 221 1HZ LYS 27 1HZ LYS 27 6.698 5.142 0.644 222 2HZ LYS 27 2HZ LYS 27 6.417 5.212 2.309 223 3HZ LYS 27 3HZ LYS 27 5.433 6.088 1.249 224 H ALA 28 H ALA 28 1.479 0.693 5.804 225 HA ALA 28 HA ALA 28 3.243 -0.976 7.239 226 1HB ALA 28 1HB ALA 28 0.436 -0.292 8.077 227 2HB ALA 28 2HB ALA 28 1.772 0.856 8.170 228 3HB ALA 28 3HB ALA 28 1.827 -0.640 9.104 229 H LYS 29 H LYS 29 0.059 -1.543 5.808 230 HA LYS 29 HA LYS 29 -0.279 -4.157 6.838 231 1HB LYS 29 2HB LYS 29 -1.531 -2.614 4.591 232 2HB LYS 29 1HB LYS 29 -1.896 -4.320 4.806 233 1HG LYS 29 2HG LYS 29 -3.253 -3.925 6.527 234 2HG LYS 29 1HG LYS 29 -2.123 -2.792 7.272 235 1HD LYS 29 2HD LYS 29 -2.866 -1.034 5.756 236 2HD LYS 29 1HD LYS 29 -3.974 -2.164 4.972 237 1HE LYS 29 2HE LYS 29 -4.763 -0.512 6.896 238 2HE LYS 29 1HE LYS 29 -5.457 -2.119 6.692 239 1HZ LYS 29 1HZ LYS 29 -4.876 -1.690 8.996 240 2HZ LYS 29 2HZ LYS 29 -3.263 -1.413 8.566 241 3HZ LYS 29 3HZ LYS 29 -3.937 -2.952 8.373 242 H ILE 30 H ILE 30 1.119 -2.900 3.853 243 HA ILE 30 HA ILE 30 1.477 -5.400 2.576 244 HB ILE 30 HB ILE 30 3.107 -2.888 2.181 245 1HG1 ILE 30 2HG1 ILE 30 0.664 -3.771 0.639 246 2HG1 ILE 30 1HG1 ILE 30 0.603 -2.612 1.964 247 1HG2 ILE 30 1HG2 ILE 30 2.581 -5.171 0.285 248 2HG2 ILE 30 2HG2 ILE 30 4.058 -4.968 1.227 249 3HG2 ILE 30 3HG2 ILE 30 3.620 -3.774 0.004 250 1HD1 ILE 30 1HD1 ILE 30 0.778 -1.850 -0.550 251 2HD1 ILE 30 2HD1 ILE 30 2.500 -2.086 -0.251 252 3HD1 ILE 30 3HD1 ILE 30 1.578 -0.962 0.748 253 H GLN 31 H GLN 31 3.564 -3.441 4.658 254 HA GLN 31 HA GLN 31 5.877 -5.029 4.430 255 1HB GLN 31 2HB GLN 31 6.153 -2.859 5.323 256 2HB GLN 31 1HB GLN 31 4.902 -3.109 6.533 257 1HG GLN 31 2HG GLN 31 6.451 -4.911 7.485 258 2HG GLN 31 1HG GLN 31 7.698 -4.176 6.481 259 1HE2 GLN 31 1HE2 GLN 31 8.886 -3.562 8.292 260 2HE2 GLN 31 2HE2 GLN 31 8.404 -2.245 9.300 261 H ASP 32 H ASP 32 3.055 -5.237 6.504 262 HA ASP 32 HA ASP 32 4.128 -7.239 8.235 263 1HB ASP 32 2HB ASP 32 1.836 -5.615 8.182 264 2HB ASP 32 1HB ASP 32 1.242 -7.270 8.111 265 H LYS 33 H LYS 33 3.060 -7.315 5.056 266 HA LYS 33 HA LYS 33 2.283 -10.144 5.221 267 1HB LYS 33 2HB LYS 33 1.683 -7.944 3.293 268 2HB LYS 33 1HB LYS 33 1.682 -9.601 2.705 269 1HG LYS 33 2HG LYS 33 0.186 -9.708 5.035 270 2HG LYS 33 1HG LYS 33 -0.296 -8.192 4.270 271 1HD LYS 33 2HD LYS 33 -0.531 -9.560 2.122 272 2HD LYS 33 1HD LYS 33 -0.451 -10.982 3.166 273 1HE LYS 33 2HE LYS 33 -2.297 -9.304 4.395 274 2HE LYS 33 1HE LYS 33 -2.652 -9.169 2.674 275 1HZ LYS 33 1HZ LYS 33 -2.442 -11.721 4.179 276 2HZ LYS 33 2HZ LYS 33 -2.843 -11.561 2.544 277 3HZ LYS 33 3HZ LYS 33 -3.890 -10.969 3.732 278 H GLU 34 H GLU 34 4.415 -7.913 3.480 279 HA GLU 34 HA GLU 34 5.857 -10.200 2.347 280 1HB GLU 34 2HB GLU 34 6.123 -7.258 1.711 281 2HB GLU 34 1HB GLU 34 6.930 -8.572 0.869 282 1HG GLU 34 2HG GLU 34 4.070 -8.962 0.944 283 2HG GLU 34 1HG GLU 34 4.500 -7.414 0.219 284 H GLY 35 H GLY 35 6.095 -7.788 4.776 285 1HA GLY 35 2HA GLY 35 7.677 -7.573 6.450 286 2HA GLY 35 1HA GLY 35 8.579 -8.889 5.713 287 H ILE 36 H ILE 36 7.636 -6.074 3.887 288 HA ILE 36 HA ILE 36 10.472 -5.309 3.714 289 HB ILE 36 HB ILE 36 8.289 -4.557 1.774 290 1HG1 ILE 36 2HG1 ILE 36 10.230 -6.877 1.686 291 2HG1 ILE 36 1HG1 ILE 36 8.473 -6.974 1.767 292 1HG2 ILE 36 1HG2 ILE 36 11.267 -4.619 1.353 293 2HG2 ILE 36 2HG2 ILE 36 10.401 -3.186 1.905 294 3HG2 ILE 36 3HG2 ILE 36 10.036 -3.882 0.327 295 1HD1 ILE 36 1HD1 ILE 36 9.760 -7.295 -0.494 296 2HD1 ILE 36 2HD1 ILE 36 9.701 -5.532 -0.518 297 3HD1 ILE 36 3HD1 ILE 36 8.205 -6.465 -0.436 298 HA PRO 37 HA PRO 37 9.463 -1.597 5.924 299 1HB PRO 37 2HB PRO 37 11.706 -0.188 5.275 300 2HB PRO 37 1HB PRO 37 11.678 -1.463 6.498 301 1HG PRO 37 2HG PRO 37 12.568 -1.594 3.642 302 2HG PRO 37 1HG PRO 37 13.327 -2.295 5.084 303 1HD PRO 37 2HD PRO 37 11.834 -3.770 3.390 304 2HD PRO 37 1HD PRO 37 11.867 -4.086 5.137 305 HA PRO 38 HA PRO 38 7.390 0.915 2.918 306 1HB PRO 38 2HB PRO 38 7.897 3.066 4.916 307 2HB PRO 38 1HB PRO 38 6.381 2.570 4.155 308 1HG PRO 38 2HG PRO 38 6.914 1.917 6.683 309 2HG PRO 38 1HG PRO 38 6.089 0.780 5.600 310 1HD PRO 38 2HD PRO 38 8.923 0.790 6.540 311 2HD PRO 38 1HD PRO 38 7.842 -0.582 6.224 312 H ASP 39 H ASP 39 10.471 1.756 4.328 313 HA ASP 39 HA ASP 39 11.106 4.023 2.827 314 1HB ASP 39 2HB ASP 39 12.362 2.836 4.806 315 2HB ASP 39 1HB ASP 39 13.218 2.010 3.507 316 H GLN 40 H GLN 40 10.917 0.707 1.908 317 HA GLN 40 HA GLN 40 12.075 1.382 -0.716 318 1HB GLN 40 2HB GLN 40 12.007 -1.395 0.448 319 2HB GLN 40 1HB GLN 40 12.929 -0.821 -0.934 320 1HG GLN 40 2HG GLN 40 14.224 0.626 0.637 321 2HG GLN 40 1HG GLN 40 13.393 -0.181 1.966 322 1HE2 GLN 40 1HE2 GLN 40 13.588 -2.563 2.013 323 2HE2 GLN 40 2HE2 GLN 40 15.097 -3.262 1.545 324 H GLN 41 H GLN 41 9.246 1.302 0.538 325 HA GLN 41 HA GLN 41 7.981 -0.573 -1.326 326 1HB GLN 41 2HB GLN 41 6.968 0.917 1.090 327 2HB GLN 41 1HB GLN 41 5.885 0.091 -0.022 328 1HG GLN 41 2HG GLN 41 7.486 -1.938 0.432 329 2HG GLN 41 1HG GLN 41 7.851 -1.034 1.901 330 1HE2 GLN 41 1HE2 GLN 41 6.721 -1.715 3.559 331 2HE2 GLN 41 2HE2 GLN 41 5.085 -2.270 3.526 332 H ARG 42 H ARG 42 7.574 0.241 -3.269 333 HA ARG 42 HA ARG 42 6.628 3.025 -3.455 334 1HB ARG 42 2HB ARG 42 8.685 2.870 -4.628 335 2HB ARG 42 1HB ARG 42 8.231 1.344 -5.374 336 1HG ARG 42 2HG ARG 42 6.346 2.706 -6.487 337 2HG ARG 42 1HG ARG 42 7.312 4.112 -6.035 338 1HD ARG 42 2HD ARG 42 8.734 1.889 -7.370 339 2HD ARG 42 1HD ARG 42 7.607 2.816 -8.359 340 HE ARG 42 HE ARG 42 9.332 4.524 -6.882 341 1HH1 ARG 42 2HH1 ARG 42 9.201 2.452 -9.675 342 2HH1 ARG 42 1HH1 ARG 42 10.449 3.300 -10.527 343 1HH2 ARG 42 1HH2 ARG 42 10.976 5.653 -7.993 344 2HH2 ARG 42 2HH2 ARG 42 11.458 5.122 -9.570 345 H LEU 43 H LEU 43 4.517 3.158 -3.800 346 HA LEU 43 HA LEU 43 3.162 0.976 -5.220 347 1HB LEU 43 2HB LEU 43 1.722 3.183 -3.808 348 2HB LEU 43 1HB LEU 43 1.204 1.534 -4.103 349 HG LEU 43 HG LEU 43 3.172 2.501 -2.037 350 1HD1 LEU 43 1HD1 LEU 43 0.559 1.009 -1.847 351 2HD1 LEU 43 2HD1 LEU 43 0.831 2.700 -1.428 352 3HD1 LEU 43 3HD1 LEU 43 1.606 1.425 -0.489 353 1HD2 LEU 43 1HD2 LEU 43 2.459 -0.378 -2.450 354 2HD2 LEU 43 2HD2 LEU 43 3.800 0.319 -1.541 355 3HD2 LEU 43 3HD2 LEU 43 3.819 0.350 -3.305 356 H ILE 44 H ILE 44 2.378 1.265 -7.205 357 HA ILE 44 HA ILE 44 2.183 4.022 -8.233 358 HB ILE 44 HB ILE 44 2.726 1.584 -9.919 359 1HG1 ILE 44 2HG1 ILE 44 4.573 1.880 -8.331 360 2HG1 ILE 44 1HG1 ILE 44 5.080 2.289 -9.968 361 1HG2 ILE 44 1HG2 ILE 44 2.354 4.450 -10.410 362 2HG2 ILE 44 2HG2 ILE 44 2.127 3.073 -11.487 363 3HG2 ILE 44 3HG2 ILE 44 3.742 3.734 -11.230 364 1HD1 ILE 44 1HD1 ILE 44 5.960 4.077 -8.942 365 2HD1 ILE 44 2HD1 ILE 44 4.844 3.983 -7.579 366 3HD1 ILE 44 3HD1 ILE 44 4.322 4.713 -9.099 367 H PHE 45 H PHE 45 0.078 4.526 -8.233 368 HA PHE 45 HA PHE 45 -1.778 2.627 -9.505 369 1HB PHE 45 2HB PHE 45 -2.083 2.788 -7.012 370 2HB PHE 45 1HB PHE 45 -2.503 4.484 -7.233 371 HD1 PHE 45 HD1 PHE 45 -4.748 4.886 -7.055 372 HD2 PHE 45 HD2 PHE 45 -3.441 1.272 -8.901 373 HE1 PHE 45 HE1 PHE 45 -7.095 4.254 -7.469 374 HE2 PHE 45 HE2 PHE 45 -5.784 0.633 -9.320 375 HZ PHE 45 HZ PHE 45 -7.614 2.125 -8.605 376 H ALA 46 H ALA 46 -2.950 3.420 -11.136 377 HA ALA 46 HA ALA 46 -3.641 4.862 -12.763 378 1HB ALA 46 1HB ALA 46 -4.047 7.015 -10.754 379 2HB ALA 46 2HB ALA 46 -4.950 5.512 -10.564 380 3HB ALA 46 3HB ALA 46 -5.111 6.456 -12.045 381 H GLY 47 H GLY 47 -0.895 4.797 -12.551 382 1HA GLY 47 2HA GLY 47 0.981 5.945 -13.202 383 2HA GLY 47 1HA GLY 47 -0.122 7.111 -13.918 384 H LYS 48 H LYS 48 -0.292 6.471 -10.520 385 HA LYS 48 HA LYS 48 1.224 8.920 -9.940 386 1HB LYS 48 2HB LYS 48 -1.244 9.377 -10.011 387 2HB LYS 48 1HB LYS 48 -1.438 8.247 -8.679 388 1HG LYS 48 2HG LYS 48 -0.975 9.839 -7.217 389 2HG LYS 48 1HG LYS 48 0.580 10.143 -7.996 390 1HD LYS 48 2HD LYS 48 -0.230 12.148 -8.549 391 2HD LYS 48 1HD LYS 48 -1.261 11.305 -9.708 392 1HE LYS 48 2HE LYS 48 -2.304 11.287 -6.979 393 2HE LYS 48 1HE LYS 48 -2.133 12.905 -7.657 394 1HZ LYS 48 1HZ LYS 48 -4.317 11.790 -8.067 395 2HZ LYS 48 2HZ LYS 48 -3.511 10.699 -9.078 396 3HZ LYS 48 3HZ LYS 48 -3.531 12.346 -9.459 397 H GLN 49 H GLN 49 2.474 8.839 -8.146 398 HA GLN 49 HA GLN 49 2.736 6.271 -6.831 399 1HB GLN 49 2HB GLN 49 4.326 8.717 -6.123 400 2HB GLN 49 1HB GLN 49 4.803 7.027 -6.036 401 1HG GLN 49 2HG GLN 49 4.675 7.003 -8.562 402 2HG GLN 49 1HG GLN 49 4.551 8.760 -8.472 403 1HE2 GLN 49 1HE2 GLN 49 6.522 6.205 -6.985 404 2HE2 GLN 49 2HE2 GLN 49 8.038 6.994 -7.231 405 H LEU 50 H LEU 50 2.264 5.810 -4.733 406 HA LEU 50 HA LEU 50 0.452 7.599 -3.380 407 1HB LEU 50 2HB LEU 50 1.547 4.906 -2.567 408 2HB LEU 50 1HB LEU 50 0.291 5.779 -1.711 409 HG LEU 50 HG LEU 50 0.143 4.257 -4.254 410 1HD1 LEU 50 1HD1 LEU 50 -2.095 3.723 -3.319 411 2HD1 LEU 50 2HD1 LEU 50 -1.702 4.723 -1.920 412 3HD1 LEU 50 3HD1 LEU 50 -0.756 3.274 -2.261 413 1HD2 LEU 50 1HD2 LEU 50 -2.021 5.528 -4.736 414 2HD2 LEU 50 2HD2 LEU 50 -0.501 6.299 -5.189 415 3HD2 LEU 50 3HD2 LEU 50 -1.346 6.806 -3.726 416 H GLU 51 H GLU 51 0.980 9.052 -1.887 417 HA GLU 51 HA GLU 51 3.666 8.908 -0.697 418 1HB GLU 51 2HB GLU 51 1.866 11.162 -1.454 419 2HB GLU 51 1HB GLU 51 2.955 11.394 -0.093 420 1HG GLU 51 2HG GLU 51 4.773 11.514 -1.398 421 2HG GLU 51 1HG GLU 51 4.202 10.253 -2.490 422 H ASP 52 H ASP 52 3.955 8.899 1.484 423 HA ASP 52 HA ASP 52 1.849 7.992 3.133 424 1HB ASP 52 2HB ASP 52 4.449 9.189 4.096 425 2HB ASP 52 1HB ASP 52 3.439 8.002 4.917 426 H GLY 53 H GLY 53 0.607 10.059 2.231 427 1HA GLY 53 2HA GLY 53 0.354 11.815 4.530 428 2HA GLY 53 1HA GLY 53 0.800 12.597 3.022 429 H ARG 54 H ARG 54 -0.865 10.652 1.450 430 HA ARG 54 HA ARG 54 -3.424 11.987 1.942 431 1HB ARG 54 2HB ARG 54 -2.683 10.366 -0.487 432 2HB ARG 54 1HB ARG 54 -3.971 11.552 -0.328 433 1HG ARG 54 2HG ARG 54 -1.484 12.809 0.267 434 2HG ARG 54 1HG ARG 54 -1.345 11.943 -1.264 435 1HD ARG 54 2HD ARG 54 -3.734 13.655 -0.730 436 2HD ARG 54 1HD ARG 54 -2.216 14.399 -1.230 437 HE ARG 54 HE ARG 54 -4.000 12.827 -2.853 438 1HH1 ARG 54 2HH1 ARG 54 -0.741 13.990 -2.458 439 2HH1 ARG 54 1HH1 ARG 54 -0.346 13.842 -4.138 440 1HH2 ARG 54 1HH2 ARG 54 -3.490 12.626 -5.069 441 2HH2 ARG 54 2HH2 ARG 54 -1.909 13.067 -5.622 442 H THR 55 H THR 55 -5.304 10.458 0.985 443 HA THR 55 HA THR 55 -5.052 7.881 2.399 444 HB THR 55 HB THR 55 -7.545 8.057 2.776 445 HG1 THR 55 HG1 THR 55 -8.411 10.184 2.632 446 1HG2 THR 55 1HG2 THR 55 -5.619 8.705 4.410 447 2HG2 THR 55 2HG2 THR 55 -7.280 9.150 4.802 448 3HG2 THR 55 3HG2 THR 55 -6.181 10.353 4.127 449 H LEU 56 H LEU 56 -6.474 6.162 1.605 450 HA LEU 56 HA LEU 56 -6.192 5.655 -1.094 451 1HB LEU 56 2HB LEU 56 -8.372 4.557 0.682 452 2HB LEU 56 1HB LEU 56 -7.768 3.833 -0.796 453 HG LEU 56 HG LEU 56 -6.190 4.182 1.755 454 1HD1 LEU 56 1HD1 LEU 56 -7.642 2.457 2.240 455 2HD1 LEU 56 2HD1 LEU 56 -6.273 1.592 1.541 456 3HD1 LEU 56 3HD1 LEU 56 -7.711 1.903 0.568 457 1HD2 LEU 56 1HD2 LEU 56 -4.343 3.476 0.690 458 2HD2 LEU 56 2HD2 LEU 56 -5.160 4.102 -0.743 459 3HD2 LEU 56 3HD2 LEU 56 -5.240 2.381 -0.362 460 H SER 57 H SER 57 -8.915 7.113 0.612 461 HA SER 57 HA SER 57 -10.711 7.188 -1.553 462 1HB SER 57 2HB SER 57 -12.079 8.466 -0.190 463 2HB SER 57 1HB SER 57 -11.051 7.688 1.013 464 HG SER 57 HG SER 57 -11.406 10.136 0.993 465 H ASP 58 H ASP 58 -8.024 9.210 -0.663 466 HA ASP 58 HA ASP 58 -8.678 11.474 -2.224 467 1HB ASP 58 2HB ASP 58 -5.998 10.437 -1.280 468 2HB ASP 58 1HB ASP 58 -6.243 12.009 -2.033 469 H TYR 59 H TYR 59 -7.307 8.384 -2.996 470 HA TYR 59 HA TYR 59 -6.542 9.300 -5.672 471 1HB TYR 59 2HB TYR 59 -6.051 6.663 -4.271 472 2HB TYR 59 1HB TYR 59 -5.497 7.059 -5.895 473 HD1 TYR 59 HD1 TYR 59 -3.755 8.801 -6.218 474 HD2 TYR 59 HD2 TYR 59 -4.891 7.451 -2.337 475 HE1 TYR 59 HE1 TYR 59 -1.688 9.765 -5.284 476 HE2 TYR 59 HE2 TYR 59 -2.829 8.413 -1.392 477 HH TYR 59 HH TYR 59 -0.889 10.595 -3.045 478 H ASN 60 H ASN 60 -9.318 8.579 -4.402 479 HA ASN 60 HA ASN 60 -11.288 7.678 -5.097 480 1HB ASN 60 2HB ASN 60 -10.210 7.528 -7.891 481 2HB ASN 60 1HB ASN 60 -11.825 7.968 -7.345 482 1HD2 ASN 60 1HD2 ASN 60 -10.408 9.459 -9.195 483 2HD2 ASN 60 2HD2 ASN 60 -10.014 10.990 -8.499 484 H ILE 61 H ILE 61 -9.507 5.810 -4.083 485 HA ILE 61 HA ILE 61 -9.446 3.531 -5.877 486 HB ILE 61 HB ILE 61 -8.661 3.729 -2.966 487 1HG1 ILE 61 2HG1 ILE 61 -6.827 3.557 -5.355 488 2HG1 ILE 61 1HG1 ILE 61 -7.356 5.101 -4.692 489 1HG2 ILE 61 1HG2 ILE 61 -9.277 1.451 -3.713 490 2HG2 ILE 61 2HG2 ILE 61 -7.578 1.599 -3.262 491 3HG2 ILE 61 3HG2 ILE 61 -8.039 1.561 -4.964 492 1HD1 ILE 61 1HD1 ILE 61 -6.276 3.266 -2.696 493 2HD1 ILE 61 2HD1 ILE 61 -5.941 4.976 -2.975 494 3HD1 ILE 61 3HD1 ILE 61 -5.123 3.747 -3.941 495 H GLN 62 H GLN 62 -10.758 1.761 -5.802 496 HA GLN 62 HA GLN 62 -13.114 1.977 -4.079 497 1HB GLN 62 2HB GLN 62 -12.567 0.422 -6.604 498 2HB GLN 62 1HB GLN 62 -14.012 0.174 -5.633 499 1HG GLN 62 2HG GLN 62 -15.008 1.906 -6.575 500 2HG GLN 62 1HG GLN 62 -13.666 2.968 -6.150 501 1HE2 GLN 62 1HE2 GLN 62 -14.218 4.001 -8.193 502 2HE2 GLN 62 2HE2 GLN 62 -13.555 3.367 -9.656 503 H LYS 63 H LYS 63 -14.061 -0.411 -3.701 504 HA LYS 63 HA LYS 63 -12.224 -1.613 -1.860 505 1HB LYS 63 2HB LYS 63 -14.995 -2.481 -2.693 506 2HB LYS 63 1HB LYS 63 -14.095 -3.109 -1.319 507 1HG LYS 63 2HG LYS 63 -15.516 -1.579 -0.341 508 2HG LYS 63 1HG LYS 63 -14.027 -0.653 -0.539 509 1HD LYS 63 2HD LYS 63 -14.881 0.604 -2.282 510 2HD LYS 63 1HD LYS 63 -16.102 -0.603 -2.687 511 1HE LYS 63 2HE LYS 63 -17.552 0.650 -1.553 512 2HE LYS 63 1HE LYS 63 -16.719 0.130 -0.089 513 1HZ LYS 63 1HZ LYS 63 -16.564 2.677 -1.511 514 2HZ LYS 63 2HZ LYS 63 -15.151 2.118 -0.770 515 3HZ LYS 63 3HZ LYS 63 -16.547 2.364 0.152 516 H GLU 64 H GLU 64 -12.320 -1.901 -5.094 517 HA GLU 64 HA GLU 64 -11.292 -4.641 -4.969 518 1HB GLU 64 2HB GLU 64 -12.920 -3.871 -7.344 519 2HB GLU 64 1HB GLU 64 -12.642 -5.460 -6.643 520 1HG GLU 64 2HG GLU 64 -14.287 -5.195 -5.049 521 2HG GLU 64 1HG GLU 64 -14.233 -3.434 -5.133 522 H SER 65 H SER 65 -10.289 -1.761 -5.347 523 HA SER 65 HA SER 65 -9.230 -1.662 -7.997 524 1HB SER 65 2HB SER 65 -8.028 -0.153 -5.698 525 2HB SER 65 1HB SER 65 -8.228 0.351 -7.375 526 HG SER 65 HG SER 65 -10.622 0.066 -6.713 527 H THR 66 H THR 66 -6.944 -1.714 -8.543 528 HA THR 66 HA THR 66 -5.413 -3.559 -6.827 529 HB THR 66 HB THR 66 -5.479 -3.482 -9.850 530 HG1 THR 66 HG1 THR 66 -7.201 -4.667 -9.192 531 1HG2 THR 66 1HG2 THR 66 -4.019 -5.554 -9.567 532 2HG2 THR 66 2HG2 THR 66 -3.747 -5.000 -7.915 533 3HG2 THR 66 3HG2 THR 66 -3.249 -3.994 -9.275 534 H ILE 67 H ILE 67 -3.477 -2.858 -6.208 535 HA ILE 67 HA ILE 67 -2.330 -0.532 -7.605 536 HB ILE 67 HB ILE 67 -2.002 -1.376 -4.723 537 1HG1 ILE 67 2HG1 ILE 67 -3.085 0.888 -4.337 538 2HG1 ILE 67 1HG1 ILE 67 -3.462 0.908 -6.056 539 1HG2 ILE 67 1HG2 ILE 67 0.065 -0.449 -5.367 540 2HG2 ILE 67 2HG2 ILE 67 -0.806 0.853 -4.557 541 3HG2 ILE 67 3HG2 ILE 67 -0.709 0.818 -6.318 542 1HD1 ILE 67 1HD1 ILE 67 -5.155 -0.533 -5.829 543 2HD1 ILE 67 2HD1 ILE 67 -5.104 -0.041 -4.136 544 3HD1 ILE 67 3HD1 ILE 67 -4.295 -1.522 -4.648 545 H HIS 68 H HIS 68 -0.094 -0.469 -7.990 546 HA HIS 68 HA HIS 68 1.154 -3.119 -8.096 547 1HB HIS 68 2HB HIS 68 2.016 -0.571 -9.480 548 2HB HIS 68 1HB HIS 68 2.645 -2.190 -9.770 549 HD1 HIS 68 HD1 HIS 68 1.957 -2.084 -12.259 550 HD2 HIS 68 HD2 HIS 68 -1.217 -1.722 -9.602 551 HE1 HIS 68 HE1 HIS 68 -0.118 -2.370 -13.649 552 HE2 HIS 68 HE2 HIS 68 -2.024 -2.240 -12.004 553 H LEU 69 H LEU 69 2.900 -3.629 -6.924 554 HA LEU 69 HA LEU 69 4.085 -1.505 -5.268 555 1HB LEU 69 2HB LEU 69 3.007 -3.224 -3.958 556 2HB LEU 69 1HB LEU 69 3.887 -4.479 -4.809 557 HG LEU 69 HG LEU 69 5.998 -3.247 -3.856 558 1HD1 LEU 69 1HD1 LEU 69 3.745 -2.045 -2.374 559 2HD1 LEU 69 2HD1 LEU 69 5.348 -1.401 -2.728 560 3HD1 LEU 69 3HD1 LEU 69 5.133 -2.559 -1.415 561 1HD2 LEU 69 1HD2 LEU 69 4.600 -4.663 -1.690 562 2HD2 LEU 69 2HD2 LEU 69 6.164 -4.986 -2.438 563 3HD2 LEU 69 3HD2 LEU 69 4.681 -5.521 -3.227 564 H VAL 70 H VAL 70 6.217 -1.091 -5.368 565 HA VAL 70 HA VAL 70 7.923 -2.925 -6.912 566 HB VAL 70 HB VAL 70 8.667 -0.101 -7.154 567 1HG1 VAL 70 1HG1 VAL 70 8.452 -2.495 -8.941 568 2HG1 VAL 70 2HG1 VAL 70 9.884 -1.580 -8.469 569 3HG1 VAL 70 3HG1 VAL 70 8.731 -0.888 -9.610 570 1HG2 VAL 70 1HG2 VAL 70 6.069 -1.073 -8.324 571 2HG2 VAL 70 2HG2 VAL 70 6.950 0.324 -8.940 572 3HG2 VAL 70 3HG2 VAL 70 6.332 0.330 -7.289 573 H LEU 71 H LEU 71 9.696 -3.505 -5.844 574 HA LEU 71 HA LEU 71 10.281 -2.744 -3.250 575 1HB LEU 71 2HB LEU 71 11.326 -4.535 -5.112 576 2HB LEU 71 1HB LEU 71 12.677 -3.496 -4.699 577 HG LEU 71 HG LEU 71 11.122 -5.349 -2.931 578 1HD1 LEU 71 1HD1 LEU 71 13.362 -6.073 -2.283 579 2HD1 LEU 71 2HD1 LEU 71 14.067 -4.857 -3.349 580 3HD1 LEU 71 3HD1 LEU 71 13.129 -6.188 -4.028 581 1HD2 LEU 71 1HD2 LEU 71 11.043 -3.363 -1.655 582 2HD2 LEU 71 2HD2 LEU 71 12.696 -2.929 -2.091 583 3HD2 LEU 71 3HD2 LEU 71 12.398 -4.299 -1.020 584 H ARG 72 H ARG 72 11.283 -1.298 -6.270 585 HA ARG 72 HA ARG 72 12.058 0.838 -6.637 586 1HB ARG 72 2HB ARG 72 11.296 0.989 -3.966 587 2HB ARG 72 1HB ARG 72 12.980 1.493 -3.956 588 1HG ARG 72 2HG ARG 72 11.763 2.804 -6.128 589 2HG ARG 72 1HG ARG 72 10.663 2.954 -4.755 590 1HD ARG 72 2HD ARG 72 12.237 4.068 -3.456 591 2HD ARG 72 1HD ARG 72 13.590 3.488 -4.426 592 HE ARG 72 HE ARG 72 12.288 5.009 -6.191 593 1HH1 ARG 72 2HH1 ARG 72 13.202 5.606 -2.884 594 2HH1 ARG 72 1HH1 ARG 72 13.365 7.316 -3.102 595 1HH2 ARG 72 1HH2 ARG 72 12.500 7.258 -6.490 596 2HH2 ARG 72 2HH2 ARG 72 12.965 8.256 -5.153 597 H LEU 73 H LEU 73 14.158 1.899 -6.757 598 HA LEU 73 HA LEU 73 16.410 1.875 -7.067 599 1HB LEU 73 2HB LEU 73 15.965 0.879 -4.431 600 2HB LEU 73 1HB LEU 73 17.289 -0.022 -5.142 601 HG LEU 73 HG LEU 73 18.278 2.281 -5.743 602 1HD1 LEU 73 1HD1 LEU 73 15.921 3.252 -4.905 603 2HD1 LEU 73 2HD1 LEU 73 17.423 4.175 -4.863 604 3HD1 LEU 73 3HD1 LEU 73 16.843 3.367 -3.406 605 1HD2 LEU 73 1HD2 LEU 73 18.116 1.630 -2.811 606 2HD2 LEU 73 2HD2 LEU 73 19.451 2.374 -3.691 607 3HD2 LEU 73 3HD2 LEU 73 19.055 0.676 -3.960 608 H ARG 74 H ARG 74 18.327 -0.113 -6.813 609 HA ARG 74 HA ARG 74 17.484 -2.592 -7.922 610 1HB ARG 74 2HB ARG 74 18.357 -2.372 -10.161 611 2HB ARG 74 1HB ARG 74 17.159 -1.114 -9.890 612 1HG ARG 74 2HG ARG 74 19.684 -0.067 -9.155 613 2HG ARG 74 1HG ARG 74 19.855 -0.850 -10.727 614 1HD ARG 74 2HD ARG 74 17.789 0.415 -11.441 615 2HD ARG 74 1HD ARG 74 17.938 1.335 -9.945 616 HE ARG 74 HE ARG 74 20.327 1.302 -11.553 617 1HH1 ARG 74 2HH1 ARG 74 17.297 2.898 -10.926 618 2HH1 ARG 74 1HH1 ARG 74 17.804 4.410 -11.601 619 1HH2 ARG 74 1HH2 ARG 74 21.008 3.288 -12.445 620 2HH2 ARG 74 2HH2 ARG 74 19.915 4.631 -12.467 621 H GLY 75 H GLY 75 18.847 -2.999 -6.008 622 1HA GLY 75 2HA GLY 75 20.833 -3.574 -4.997 623 2HA GLY 75 1HA GLY 75 21.300 -4.075 -6.616 624 H GLY 76 HN GLY 76 22.464 -2.609 -7.949 625 1HA GLY 76 2HA GLY 76 23.978 -0.934 -8.383 626 2HA GLY 76 1HA GLY 76 23.244 -0.024 -7.072 Start of MODEL 7 1 2H MET 1 2H MET 1 -14.223 -3.390 3.073 2 3H MET 1 3H MET 1 -14.218 -4.666 1.961 3 1H MET 1 1H MET 1 -15.347 -3.414 1.809 4 HA MET 1 HA MET 1 -13.850 -2.802 0.230 5 1HB MET 1 2HB MET 1 -14.140 -0.991 1.882 6 2HB MET 1 1HB MET 1 -12.738 -1.582 2.765 7 1HG MET 1 2HG MET 1 -11.664 -0.018 1.573 8 2HG MET 1 1HG MET 1 -11.650 -1.268 0.330 9 1HE MET 1 1HE MET 1 -11.122 1.589 0.082 10 2HE MET 1 2HE MET 1 -12.349 2.640 -0.625 11 3HE MET 1 3HE MET 1 -11.562 1.412 -1.617 12 H GLN 2 H GLN 2 -12.916 -4.988 -0.104 13 HA GLN 2 HA GLN 2 -10.207 -5.294 0.965 14 1HB GLN 2 2HB GLN 2 -12.296 -7.112 0.250 15 2HB GLN 2 1HB GLN 2 -10.882 -7.462 -0.737 16 1HG GLN 2 2HG GLN 2 -9.844 -8.425 0.963 17 2HG GLN 2 1HG GLN 2 -10.128 -7.032 2.007 18 1HE2 GLN 2 1HE2 GLN 2 -10.152 -9.664 2.918 19 2HE2 GLN 2 2HE2 GLN 2 -11.754 -10.055 3.434 20 H VAL 3 H VAL 3 -8.600 -4.488 -0.160 21 HA VAL 3 HA VAL 3 -8.866 -4.161 -3.063 22 HB VAL 3 HB VAL 3 -6.945 -2.660 -2.927 23 1HG1 VAL 3 1HG1 VAL 3 -9.427 -2.047 -2.247 24 2HG1 VAL 3 2HG1 VAL 3 -8.120 -0.867 -2.147 25 3HG1 VAL 3 3HG1 VAL 3 -8.661 -1.710 -0.695 26 1HG2 VAL 3 1HG2 VAL 3 -5.573 -3.472 -1.237 27 2HG2 VAL 3 2HG2 VAL 3 -6.897 -3.579 -0.076 28 3HG2 VAL 3 3HG2 VAL 3 -6.243 -2.004 -0.526 29 H PHE 4 H PHE 4 -6.794 -4.471 -4.331 30 HA PHE 4 HA PHE 4 -5.391 -6.879 -3.375 31 1HB PHE 4 2HB PHE 4 -5.987 -6.208 -6.260 32 2HB PHE 4 1HB PHE 4 -5.314 -7.709 -5.633 33 HD1 PHE 4 HD1 PHE 4 -6.719 -9.498 -5.250 34 HD2 PHE 4 HD2 PHE 4 -8.349 -5.559 -5.349 35 HE1 PHE 4 HE1 PHE 4 -8.990 -10.438 -5.061 36 HE2 PHE 4 HE2 PHE 4 -10.623 -6.491 -5.160 37 HZ PHE 4 HZ PHE 4 -10.946 -8.933 -5.015 38 H LEU 5 H LEU 5 -3.200 -6.993 -3.633 39 HA LEU 5 HA LEU 5 -1.880 -4.639 -4.815 40 1HB LEU 5 2HB LEU 5 -1.672 -4.428 -2.447 41 2HB LEU 5 1HB LEU 5 -1.218 -6.113 -2.274 42 HG LEU 5 HG LEU 5 0.872 -5.556 -3.604 43 1HD1 LEU 5 1HD1 LEU 5 0.674 -2.747 -2.789 44 2HD1 LEU 5 2HD1 LEU 5 -0.384 -3.208 -4.123 45 3HD1 LEU 5 3HD1 LEU 5 1.356 -3.463 -4.248 46 1HD2 LEU 5 1HD2 LEU 5 0.763 -5.863 -1.131 47 2HD2 LEU 5 2HD2 LEU 5 0.572 -4.117 -0.974 48 3HD2 LEU 5 3HD2 LEU 5 2.049 -4.782 -1.671 49 H LYS 6 H LYS 6 -0.174 -5.014 -6.141 50 HA LYS 6 HA LYS 6 0.428 -7.825 -6.725 51 1HB LYS 6 2HB LYS 6 0.579 -5.297 -8.331 52 2HB LYS 6 1HB LYS 6 1.537 -6.695 -8.800 53 1HG LYS 6 2HG LYS 6 -1.088 -7.614 -8.326 54 2HG LYS 6 1HG LYS 6 -1.209 -6.154 -9.310 55 1HD LYS 6 2HD LYS 6 0.879 -8.080 -10.108 56 2HD LYS 6 1HD LYS 6 -0.789 -8.612 -10.328 57 1HE LYS 6 2HE LYS 6 -1.219 -6.454 -11.530 58 2HE LYS 6 1HE LYS 6 0.516 -6.146 -11.463 59 1HZ LYS 6 1HZ LYS 6 -0.545 -7.295 -13.527 60 2HZ LYS 6 2HZ LYS 6 -0.432 -8.691 -12.577 61 3HZ LYS 6 3HZ LYS 6 0.962 -7.807 -12.949 62 H THR 7 H THR 7 2.514 -8.609 -6.781 63 HA THR 7 HA THR 7 4.536 -6.880 -5.517 64 HB THR 7 HB THR 7 4.871 -8.522 -4.050 65 HG1 THR 7 HG1 THR 7 5.868 -10.451 -4.796 66 1HG2 THR 7 1HG2 THR 7 3.117 -10.352 -5.689 67 2HG2 THR 7 2HG2 THR 7 2.512 -9.175 -4.525 68 3HG2 THR 7 3HG2 THR 7 3.522 -10.514 -3.980 69 H LEU 8 H LEU 8 6.850 -7.941 -6.004 70 HA LEU 8 HA LEU 8 7.376 -7.380 -8.717 71 1HB LEU 8 2HB LEU 8 9.224 -8.923 -6.918 72 2HB LEU 8 1HB LEU 8 9.641 -7.844 -8.236 73 HG LEU 8 HG LEU 8 8.589 -7.086 -5.516 74 1HD1 LEU 8 1HD1 LEU 8 10.767 -7.028 -5.062 75 2HD1 LEU 8 2HD1 LEU 8 10.849 -5.620 -6.121 76 3HD1 LEU 8 3HD1 LEU 8 11.206 -7.225 -6.759 77 1HD2 LEU 8 1HD2 LEU 8 7.488 -5.685 -7.152 78 2HD2 LEU 8 2HD2 LEU 8 9.029 -5.344 -7.938 79 3HD2 LEU 8 3HD2 LEU 8 8.723 -4.754 -6.305 80 H THR 9 H THR 9 6.131 -10.143 -7.291 81 HA THR 9 HA THR 9 7.238 -11.941 -9.320 82 HB THR 9 HB THR 9 6.500 -13.763 -8.027 83 HG1 THR 9 HG1 THR 9 5.160 -12.910 -5.998 84 1HG2 THR 9 1HG2 THR 9 6.994 -12.624 -5.545 85 2HG2 THR 9 2HG2 THR 9 7.855 -11.580 -6.675 86 3HG2 THR 9 3HG2 THR 9 8.194 -13.311 -6.639 87 H GLY 10 H GLY 10 4.313 -10.291 -8.434 88 1HA GLY 10 2HA GLY 10 2.749 -9.905 -10.293 89 2HA GLY 10 1HA GLY 10 2.964 -11.596 -10.716 90 H LYS 11 H LYS 11 2.747 -12.774 -8.194 91 HA LYS 11 HA LYS 11 0.245 -13.495 -7.864 92 1HB LYS 11 2HB LYS 11 2.435 -13.793 -6.339 93 2HB LYS 11 1HB LYS 11 1.493 -12.749 -5.283 94 1HG LYS 11 2HG LYS 11 -0.012 -14.992 -6.409 95 2HG LYS 11 1HG LYS 11 1.327 -15.459 -5.358 96 1HD LYS 11 2HD LYS 11 -0.806 -13.461 -4.614 97 2HD LYS 11 1HD LYS 11 -0.837 -15.167 -4.164 98 1HE LYS 11 2HE LYS 11 1.704 -14.199 -3.449 99 2HE LYS 11 1HE LYS 11 0.542 -12.984 -2.916 100 1HZ LYS 11 1HZ LYS 11 1.182 -15.223 -1.554 101 2HZ LYS 11 2HZ LYS 11 -0.248 -15.689 -2.327 102 3HZ LYS 11 3HZ LYS 11 -0.234 -14.325 -1.328 103 H THR 12 H THR 12 -1.539 -12.968 -6.517 104 HA THR 12 HA THR 12 -1.955 -10.065 -6.275 105 HB THR 12 HB THR 12 -4.069 -12.223 -6.368 106 HG1 THR 12 HG1 THR 12 -2.563 -11.383 -8.340 107 1HG2 THR 12 1HG2 THR 12 -4.279 -9.232 -6.730 108 2HG2 THR 12 2HG2 THR 12 -4.730 -10.110 -5.268 109 3HG2 THR 12 3HG2 THR 12 -5.609 -10.391 -6.771 110 H VAL 13 H VAL 13 -1.954 -9.233 -4.297 111 HA VAL 13 HA VAL 13 -2.342 -11.018 -2.003 112 HB VAL 13 HB VAL 13 -1.442 -8.163 -1.784 113 1HG1 VAL 13 1HG1 VAL 13 -0.091 -9.362 0.096 114 2HG1 VAL 13 2HG1 VAL 13 -1.293 -10.634 -0.114 115 3HG1 VAL 13 3HG1 VAL 13 -1.802 -9.005 0.330 116 1HG2 VAL 13 1HG2 VAL 13 0.290 -8.654 -3.123 117 2HG2 VAL 13 2HG2 VAL 13 0.009 -10.392 -3.016 118 3HG2 VAL 13 3HG2 VAL 13 0.892 -9.561 -1.736 119 H THR 14 H THR 14 -4.079 -10.898 -0.730 120 HA THR 14 HA THR 14 -6.051 -8.799 -1.290 121 HB THR 14 HB THR 14 -6.462 -11.364 0.255 122 HG1 THR 14 HG1 THR 14 -6.757 -10.736 -2.494 123 1HG2 THR 14 1HG2 THR 14 -8.025 -9.078 0.122 124 2HG2 THR 14 2HG2 THR 14 -8.561 -10.683 0.620 125 3HG2 THR 14 3HG2 THR 14 -8.760 -10.166 -1.055 126 H ILE 15 H ILE 15 -6.296 -7.183 0.094 127 HA ILE 15 HA ILE 15 -5.769 -7.641 2.944 128 HB ILE 15 HB ILE 15 -4.774 -5.210 1.456 129 1HG1 ILE 15 2HG1 ILE 15 -2.925 -7.163 2.740 130 2HG1 ILE 15 1HG1 ILE 15 -3.631 -7.605 1.189 131 1HG2 ILE 15 1HG2 ILE 15 -4.606 -6.098 4.321 132 2HG2 ILE 15 2HG2 ILE 15 -5.259 -4.592 3.674 133 3HG2 ILE 15 3HG2 ILE 15 -3.521 -4.886 3.640 134 1HD1 ILE 15 1HD1 ILE 15 -2.073 -5.089 1.720 135 2HD1 ILE 15 2HD1 ILE 15 -2.705 -5.628 0.165 136 3HD1 ILE 15 3HD1 ILE 15 -1.433 -6.548 0.966 137 H GLU 16 H GLU 16 -6.885 -6.234 4.365 138 HA GLU 16 HA GLU 16 -9.277 -5.053 3.156 139 1HB GLU 16 2HB GLU 16 -10.223 -5.136 5.428 140 2HB GLU 16 1HB GLU 16 -9.677 -6.718 4.886 141 1HG GLU 16 2HG GLU 16 -7.755 -6.626 6.268 142 2HG GLU 16 1HG GLU 16 -8.016 -4.920 6.628 143 H VAL 17 H VAL 17 -9.483 -2.928 2.994 144 HA VAL 17 HA VAL 17 -8.129 -1.192 4.927 145 HB VAL 17 HB VAL 17 -7.386 0.330 3.130 146 1HG1 VAL 17 1HG1 VAL 17 -5.569 -1.208 2.224 147 2HG1 VAL 17 2HG1 VAL 17 -6.347 -2.488 3.155 148 3HG1 VAL 17 3HG1 VAL 17 -5.700 -1.068 3.977 149 1HG2 VAL 17 1HG2 VAL 17 -7.228 -0.791 0.809 150 2HG2 VAL 17 2HG2 VAL 17 -8.765 -0.079 1.302 151 3HG2 VAL 17 3HG2 VAL 17 -8.532 -1.825 1.392 152 H GLU 18 H GLU 18 -8.906 1.086 4.768 153 HA GLU 18 HA GLU 18 -11.715 1.176 3.882 154 1HB GLU 18 2HB GLU 18 -10.464 2.424 6.334 155 2HB GLU 18 1HB GLU 18 -12.104 2.746 5.787 156 1HG GLU 18 2HG GLU 18 -12.114 0.039 5.893 157 2HG GLU 18 1HG GLU 18 -11.005 0.431 7.207 158 HA PRO 19 HA PRO 19 -10.909 4.766 1.484 159 1HB PRO 19 2HB PRO 19 -12.971 6.437 2.230 160 2HB PRO 19 1HB PRO 19 -13.128 5.107 1.078 161 1HG PRO 19 2HG PRO 19 -13.822 5.189 3.986 162 2HG PRO 19 1HG PRO 19 -14.711 4.450 2.641 163 1HD PRO 19 2HD PRO 19 -13.231 2.975 4.322 164 2HD PRO 19 1HD PRO 19 -13.336 2.584 2.593 165 H SER 20 H SER 20 -11.532 5.287 4.912 166 HA SER 20 HA SER 20 -10.214 7.869 4.889 167 1HB SER 20 2HB SER 20 -10.572 7.439 7.500 168 2HB SER 20 1HB SER 20 -11.885 7.979 6.455 169 HG SER 20 HG SER 20 -12.794 6.263 7.328 170 H ASP 21 H ASP 21 -8.894 5.094 4.416 171 HA ASP 21 HA ASP 21 -6.921 5.044 6.545 172 1HB ASP 21 2HB ASP 21 -7.437 3.328 4.130 173 2HB ASP 21 1HB ASP 21 -5.941 3.180 5.044 174 H THR 22 H THR 22 -4.689 5.376 6.243 175 HA THR 22 HA THR 22 -4.081 7.237 4.064 176 HB THR 22 HB THR 22 -1.949 7.603 5.483 177 HG1 THR 22 HG1 THR 22 -2.259 5.805 6.876 178 1HG2 THR 22 1HG2 THR 22 -3.390 8.993 7.168 179 2HG2 THR 22 2HG2 THR 22 -4.728 8.487 6.136 180 3HG2 THR 22 3HG2 THR 22 -3.389 9.409 5.454 181 H VAL 23 H VAL 23 -2.193 7.041 2.813 182 HA VAL 23 HA VAL 23 -1.600 4.517 1.836 183 HB VAL 23 HB VAL 23 0.318 6.846 1.764 184 1HG1 VAL 23 1HG1 VAL 23 1.186 5.875 -0.201 185 2HG1 VAL 23 2HG1 VAL 23 -0.163 4.746 -0.333 186 3HG1 VAL 23 3HG1 VAL 23 1.030 4.549 0.952 187 1HG2 VAL 23 1HG2 VAL 23 -0.911 7.242 -0.490 188 2HG2 VAL 23 2HG2 VAL 23 -1.619 7.857 1.004 189 3HG2 VAL 23 3HG2 VAL 23 -2.235 6.369 0.283 190 H GLU 24 H GLU 24 0.057 6.409 4.323 191 HA GLU 24 HA GLU 24 2.325 4.874 4.695 192 1HB GLU 24 2HB GLU 24 2.145 5.632 7.127 193 2HB GLU 24 1HB GLU 24 2.190 6.894 5.904 194 1HG GLU 24 2HG GLU 24 -0.172 7.234 6.078 195 2HG GLU 24 1HG GLU 24 -0.337 5.844 7.151 196 H ASN 25 H ASN 25 -0.908 4.427 6.070 197 HA ASN 25 HA ASN 25 -0.303 2.208 7.686 198 1HB ASN 25 2HB ASN 25 -2.552 3.742 7.181 199 2HB ASN 25 1HB ASN 25 -2.994 2.160 6.544 200 1HD2 ASN 25 1HD2 ASN 25 -3.781 3.781 8.969 201 2HD2 ASN 25 2HD2 ASN 25 -3.630 2.669 10.283 202 H PHE 26 H PHE 26 -1.500 2.444 4.359 203 HA PHE 26 HA PHE 26 -1.880 -0.246 3.813 204 1HB PHE 26 2HB PHE 26 -2.505 1.607 2.289 205 2HB PHE 26 1HB PHE 26 -0.802 1.848 1.912 206 HD1 PHE 26 HD1 PHE 26 -1.939 -1.551 2.419 207 HD2 PHE 26 HD2 PHE 26 -1.380 1.532 -0.474 208 HE1 PHE 26 HE1 PHE 26 -2.107 -3.221 0.612 209 HE2 PHE 26 HE2 PHE 26 -1.548 -0.131 -2.286 210 HZ PHE 26 HZ PHE 26 -1.912 -2.510 -1.743 211 H LYS 27 H LYS 27 1.084 1.685 3.547 212 HA LYS 27 HA LYS 27 2.717 -0.381 2.530 213 1HB LYS 27 2HB LYS 27 3.178 2.275 3.794 214 2HB LYS 27 1HB LYS 27 4.535 1.158 3.736 215 1HG LYS 27 2HG LYS 27 4.103 0.946 1.262 216 2HG LYS 27 1HG LYS 27 2.985 2.301 1.432 217 1HD LYS 27 2HD LYS 27 5.203 3.240 2.714 218 2HD LYS 27 1HD LYS 27 5.915 2.263 1.428 219 1HE LYS 27 2HE LYS 27 4.335 3.479 -0.152 220 2HE LYS 27 1HE LYS 27 4.035 4.597 1.177 221 1HZ LYS 27 1HZ LYS 27 6.537 4.137 -0.317 222 2HZ LYS 27 2HZ LYS 27 6.571 4.814 1.233 223 3HZ LYS 27 3HZ LYS 27 5.735 5.596 -0.011 224 H ALA 28 H ALA 28 1.807 0.570 5.780 225 HA ALA 28 HA ALA 28 3.728 -0.964 7.176 226 1HB ALA 28 1HB ALA 28 2.414 -0.566 9.126 227 2HB ALA 28 2HB ALA 28 0.981 -0.215 8.159 228 3HB ALA 28 3HB ALA 28 2.352 0.894 8.137 229 H LYS 29 H LYS 29 0.457 -1.664 6.039 230 HA LYS 29 HA LYS 29 0.238 -4.212 7.257 231 1HB LYS 29 2HB LYS 29 -1.168 -3.074 4.834 232 2HB LYS 29 1HB LYS 29 -1.628 -4.560 5.654 233 1HG LYS 29 2HG LYS 29 -2.009 -3.233 7.719 234 2HG LYS 29 1HG LYS 29 -1.698 -1.771 6.780 235 1HD LYS 29 2HD LYS 29 -3.558 -3.108 5.255 236 2HD LYS 29 1HD LYS 29 -4.082 -3.443 6.906 237 1HE LYS 29 2HE LYS 29 -3.490 -0.776 7.018 238 2HE LYS 29 1HE LYS 29 -4.133 -0.945 5.384 239 1HZ LYS 29 1HZ LYS 29 -5.472 -1.574 7.946 240 2HZ LYS 29 2HZ LYS 29 -6.043 -2.168 6.469 241 3HZ LYS 29 3HZ LYS 29 -5.970 -0.500 6.737 242 H ILE 30 H ILE 30 1.451 -3.110 4.143 243 HA ILE 30 HA ILE 30 1.719 -5.659 2.947 244 HB ILE 30 HB ILE 30 3.210 -3.091 2.399 245 1HG1 ILE 30 2HG1 ILE 30 0.956 -4.372 0.846 246 2HG1 ILE 30 1HG1 ILE 30 0.708 -3.121 2.062 247 1HG2 ILE 30 1HG2 ILE 30 3.643 -5.763 1.415 248 2HG2 ILE 30 2HG2 ILE 30 4.577 -4.294 1.127 249 3HG2 ILE 30 3HG2 ILE 30 3.193 -4.673 0.103 250 1HD1 ILE 30 1HD1 ILE 30 1.985 -2.916 -0.624 251 2HD1 ILE 30 2HD1 ILE 30 2.384 -1.757 0.644 252 3HD1 ILE 30 3HD1 ILE 30 0.716 -1.926 0.096 253 H GLN 31 H GLN 31 3.835 -3.716 4.979 254 HA GLN 31 HA GLN 31 6.173 -5.261 4.643 255 1HB GLN 31 2HB GLN 31 6.401 -3.064 5.530 256 2HB GLN 31 1HB GLN 31 5.263 -3.395 6.828 257 1HG GLN 31 2HG GLN 31 6.798 -4.698 8.005 258 2HG GLN 31 1HG GLN 31 7.837 -4.905 6.596 259 1HE2 GLN 31 1HE2 GLN 31 6.596 -2.452 8.817 260 2HE2 GLN 31 2HE2 GLN 31 8.005 -1.453 8.782 261 H ASP 32 H ASP 32 3.495 -5.451 6.944 262 HA ASP 32 HA ASP 32 4.678 -7.477 8.555 263 1HB ASP 32 2HB ASP 32 2.374 -5.869 8.668 264 2HB ASP 32 1HB ASP 32 1.793 -7.532 8.637 265 H LYS 33 H LYS 33 3.434 -7.554 5.449 266 HA LYS 33 HA LYS 33 2.701 -10.394 5.664 267 1HB LYS 33 2HB LYS 33 1.865 -8.189 3.837 268 2HB LYS 33 1HB LYS 33 1.881 -9.829 3.204 269 1HG LYS 33 2HG LYS 33 0.493 -10.410 5.300 270 2HG LYS 33 1HG LYS 33 0.207 -8.671 5.392 271 1HD LYS 33 2HD LYS 33 -1.443 -8.938 3.922 272 2HD LYS 33 1HD LYS 33 -0.224 -9.356 2.715 273 1HE LYS 33 2HE LYS 33 -0.924 -11.552 4.519 274 2HE LYS 33 1HE LYS 33 -2.269 -10.978 3.535 275 1HZ LYS 33 1HZ LYS 33 -0.694 -12.806 2.632 276 2HZ LYS 33 2HZ LYS 33 0.329 -11.509 2.265 277 3HZ LYS 33 3HZ LYS 33 -1.224 -11.576 1.597 278 H GLU 34 H GLU 34 4.633 -8.102 3.780 279 HA GLU 34 HA GLU 34 6.043 -10.367 2.544 280 1HB GLU 34 2HB GLU 34 5.581 -7.530 1.725 281 2HB GLU 34 1HB GLU 34 7.007 -8.367 1.128 282 1HG GLU 34 2HG GLU 34 4.601 -9.960 0.845 283 2HG GLU 34 1HG GLU 34 4.486 -8.409 0.014 284 H GLY 35 H GLY 35 6.404 -7.825 4.827 285 1HA GLY 35 2HA GLY 35 8.157 -7.297 6.223 286 2HA GLY 35 1HA GLY 35 8.951 -8.760 5.660 287 H ILE 36 H ILE 36 8.047 -5.612 4.245 288 HA ILE 36 HA ILE 36 10.840 -5.317 3.366 289 HB ILE 36 HB ILE 36 8.661 -4.216 1.655 290 1HG1 ILE 36 2HG1 ILE 36 9.557 -7.104 1.685 291 2HG1 ILE 36 1HG1 ILE 36 7.922 -6.495 1.924 292 1HG2 ILE 36 1HG2 ILE 36 10.268 -4.168 0.008 293 2HG2 ILE 36 2HG2 ILE 36 11.181 -5.503 0.711 294 3HG2 ILE 36 3HG2 ILE 36 11.244 -3.905 1.455 295 1HD1 ILE 36 1HD1 ILE 36 7.551 -6.240 -0.282 296 2HD1 ILE 36 2HD1 ILE 36 8.801 -7.480 -0.394 297 3HD1 ILE 36 3HD1 ILE 36 9.220 -5.782 -0.623 298 HA PRO 37 HA PRO 37 10.488 -1.569 5.789 299 1HB PRO 37 2HB PRO 37 12.800 -0.887 4.030 300 2HB PRO 37 1HB PRO 37 12.639 -0.738 5.783 301 1HG PRO 37 2HG PRO 37 14.063 -2.718 4.713 302 2HG PRO 37 1HG PRO 37 13.052 -2.993 6.143 303 1HD PRO 37 2HD PRO 37 12.586 -3.790 3.310 304 2HD PRO 37 1HD PRO 37 12.126 -4.621 4.809 305 HA PRO 38 HA PRO 38 7.930 0.811 3.011 306 1HB PRO 38 2HB PRO 38 8.717 2.944 4.947 307 2HB PRO 38 1HB PRO 38 7.115 2.513 4.340 308 1HG PRO 38 2HG PRO 38 7.888 1.793 6.788 309 2HG PRO 38 1HG PRO 38 6.909 0.709 5.781 310 1HD PRO 38 2HD PRO 38 9.801 0.565 6.465 311 2HD PRO 38 1HD PRO 38 8.648 -0.745 6.146 312 H ASP 39 H ASP 39 11.138 1.740 4.071 313 HA ASP 39 HA ASP 39 11.583 3.953 2.438 314 1HB ASP 39 2HB ASP 39 13.275 1.990 3.860 315 2HB ASP 39 1HB ASP 39 14.052 2.843 2.530 316 H GLN 40 H GLN 40 11.165 0.682 1.587 317 HA GLN 40 HA GLN 40 12.142 1.255 -1.134 318 1HB GLN 40 2HB GLN 40 12.022 -1.572 -0.257 319 2HB GLN 40 1HB GLN 40 13.179 -0.766 -1.308 320 1HG GLN 40 2HG GLN 40 14.338 0.157 0.563 321 2HG GLN 40 1HG GLN 40 13.099 -0.416 1.677 322 1HE2 GLN 40 1HE2 GLN 40 14.695 -2.045 -1.026 323 2HE2 GLN 40 2HE2 GLN 40 15.356 -3.336 -0.088 324 H GLN 41 H GLN 41 9.428 1.184 0.451 325 HA GLN 41 HA GLN 41 7.964 -0.618 -1.336 326 1HB GLN 41 2HB GLN 41 7.258 0.763 1.242 327 2HB GLN 41 1HB GLN 41 6.019 0.055 0.216 328 1HG GLN 41 2HG GLN 41 7.524 -2.070 0.353 329 2HG GLN 41 1HG GLN 41 8.166 -1.279 1.792 330 1HE2 GLN 41 1HE2 GLN 41 7.110 -1.533 3.637 331 2HE2 GLN 41 2HE2 GLN 41 5.513 -2.169 3.803 332 H ARG 42 H ARG 42 7.483 0.314 -3.223 333 HA ARG 42 HA ARG 42 6.469 3.080 -3.202 334 1HB ARG 42 2HB ARG 42 8.474 1.866 -4.774 335 2HB ARG 42 1HB ARG 42 7.102 2.123 -5.843 336 1HG ARG 42 2HG ARG 42 7.147 4.518 -4.701 337 2HG ARG 42 1HG ARG 42 8.847 4.091 -4.481 338 1HD ARG 42 2HD ARG 42 8.414 3.361 -7.073 339 2HD ARG 42 1HD ARG 42 7.373 4.776 -6.920 340 HE ARG 42 HE ARG 42 9.619 5.723 -5.892 341 1HH1 ARG 42 2HH1 ARG 42 9.122 3.784 -8.744 342 2HH1 ARG 42 1HH1 ARG 42 10.497 4.428 -9.577 343 1HH2 ARG 42 1HH2 ARG 42 11.430 6.578 -6.984 344 2HH2 ARG 42 2HH2 ARG 42 11.808 6.015 -8.579 345 H LEU 43 H LEU 43 4.353 3.296 -3.510 346 HA LEU 43 HA LEU 43 2.867 1.083 -4.727 347 1HB LEU 43 2HB LEU 43 1.640 3.468 -3.378 348 2HB LEU 43 1HB LEU 43 0.948 1.877 -3.626 349 HG LEU 43 HG LEU 43 2.993 2.726 -1.600 350 1HD1 LEU 43 1HD1 LEU 43 1.263 2.639 -0.221 351 2HD1 LEU 43 2HD1 LEU 43 0.982 0.952 -0.653 352 3HD1 LEU 43 3HD1 LEU 43 0.208 2.240 -1.576 353 1HD2 LEU 43 1HD2 LEU 43 2.535 0.023 -2.769 354 2HD2 LEU 43 2HD2 LEU 43 2.908 0.169 -1.051 355 3HD2 LEU 43 3HD2 LEU 43 4.038 0.788 -2.255 356 H ILE 44 H ILE 44 2.864 1.323 -6.889 357 HA ILE 44 HA ILE 44 2.342 3.972 -8.030 358 HB ILE 44 HB ILE 44 3.122 1.440 -9.476 359 1HG1 ILE 44 2HG1 ILE 44 4.834 2.253 -7.827 360 2HG1 ILE 44 1HG1 ILE 44 5.382 2.251 -9.500 361 1HG2 ILE 44 1HG2 ILE 44 1.967 3.126 -10.841 362 2HG2 ILE 44 2HG2 ILE 44 3.648 2.911 -11.329 363 3HG2 ILE 44 3HG2 ILE 44 3.179 4.317 -10.373 364 1HD1 ILE 44 1HD1 ILE 44 5.116 4.616 -9.658 365 2HD1 ILE 44 2HD1 ILE 44 6.051 4.253 -8.206 366 3HD1 ILE 44 3HD1 ILE 44 4.345 4.682 -8.073 367 H PHE 45 H PHE 45 0.259 4.433 -8.304 368 HA PHE 45 HA PHE 45 -1.464 2.398 -9.538 369 1HB PHE 45 2HB PHE 45 -2.080 2.416 -7.206 370 2HB PHE 45 1HB PHE 45 -2.168 4.174 -7.196 371 HD1 PHE 45 HD1 PHE 45 -4.336 4.857 -6.883 372 HD2 PHE 45 HD2 PHE 45 -3.557 1.561 -9.473 373 HE1 PHE 45 HE1 PHE 45 -6.733 4.740 -7.448 374 HE2 PHE 45 HE2 PHE 45 -5.952 1.438 -10.044 375 HZ PHE 45 HZ PHE 45 -7.542 3.029 -9.031 376 H ALA 46 H ALA 46 -2.591 3.109 -11.245 377 HA ALA 46 HA ALA 46 -3.224 4.487 -12.950 378 1HB ALA 46 1HB ALA 46 -3.973 6.808 -11.463 379 2HB ALA 46 2HB ALA 46 -4.432 5.365 -10.559 380 3HB ALA 46 3HB ALA 46 -5.003 5.588 -12.214 381 H GLY 47 H GLY 47 -0.496 4.573 -12.540 382 1HA GLY 47 2HA GLY 47 1.359 5.810 -13.085 383 2HA GLY 47 1HA GLY 47 0.250 6.896 -13.906 384 H LYS 48 H LYS 48 0.131 6.225 -10.466 385 HA LYS 48 HA LYS 48 1.362 8.818 -9.886 386 1HB LYS 48 2HB LYS 48 -1.371 7.947 -8.936 387 2HB LYS 48 1HB LYS 48 -0.491 9.320 -8.278 388 1HG LYS 48 2HG LYS 48 -0.425 10.167 -10.708 389 2HG LYS 48 1HG LYS 48 -1.711 8.990 -10.989 390 1HD LYS 48 2HD LYS 48 -3.164 10.062 -9.482 391 2HD LYS 48 1HD LYS 48 -1.857 11.006 -8.764 392 1HE LYS 48 2HE LYS 48 -1.590 12.086 -11.049 393 2HE LYS 48 1HE LYS 48 -3.132 11.338 -11.468 394 1HZ LYS 48 1HZ LYS 48 -2.573 13.494 -9.554 395 2HZ LYS 48 2HZ LYS 48 -3.901 12.484 -9.280 396 3HZ LYS 48 3HZ LYS 48 -3.801 13.376 -10.713 397 H GLN 49 H GLN 49 2.621 8.807 -8.117 398 HA GLN 49 HA GLN 49 2.926 6.303 -6.684 399 1HB GLN 49 2HB GLN 49 4.668 8.340 -7.476 400 2HB GLN 49 1HB GLN 49 4.587 8.477 -5.725 401 1HG GLN 49 2HG GLN 49 5.125 6.052 -5.578 402 2HG GLN 49 1HG GLN 49 5.369 6.055 -7.323 403 1HE2 GLN 49 1HE2 GLN 49 6.518 7.360 -4.279 404 2HE2 GLN 49 2HE2 GLN 49 8.112 7.742 -4.827 405 H LEU 50 H LEU 50 1.230 6.093 -5.270 406 HA LEU 50 HA LEU 50 -0.104 7.947 -3.805 407 1HB LEU 50 2HB LEU 50 0.795 5.249 -2.790 408 2HB LEU 50 1HB LEU 50 -0.515 6.205 -2.123 409 HG LEU 50 HG LEU 50 -0.424 4.831 -4.801 410 1HD1 LEU 50 1HD1 LEU 50 -2.456 3.737 -3.937 411 2HD1 LEU 50 2HD1 LEU 50 -2.233 4.580 -2.404 412 3HD1 LEU 50 3HD1 LEU 50 -1.035 3.406 -2.948 413 1HD2 LEU 50 1HD2 LEU 50 -2.139 7.063 -3.833 414 2HD2 LEU 50 2HD2 LEU 50 -2.862 5.805 -4.836 415 3HD2 LEU 50 3HD2 LEU 50 -1.501 6.746 -5.446 416 H GLU 51 H GLU 51 0.276 9.275 -2.130 417 HA GLU 51 HA GLU 51 2.973 9.261 -0.987 418 1HB GLU 51 2HB GLU 51 0.868 11.360 -1.340 419 2HB GLU 51 1HB GLU 51 2.089 11.563 -0.089 420 1HG GLU 51 2HG GLU 51 2.450 11.428 -3.058 421 2HG GLU 51 1HG GLU 51 2.930 12.705 -1.940 422 H ASP 52 H ASP 52 3.337 9.370 1.240 423 HA ASP 52 HA ASP 52 1.485 7.898 2.830 424 1HB ASP 52 2HB ASP 52 4.000 9.356 3.660 425 2HB ASP 52 1HB ASP 52 3.133 8.168 4.627 426 H GLY 53 H GLY 53 1.291 11.013 1.909 427 1HA GLY 53 2HA GLY 53 0.350 11.990 4.516 428 2HA GLY 53 1HA GLY 53 0.743 12.998 3.131 429 H ARG 54 H ARG 54 -0.818 10.658 1.656 430 HA ARG 54 HA ARG 54 -3.450 11.930 2.031 431 1HB ARG 54 2HB ARG 54 -2.408 10.492 -0.414 432 2HB ARG 54 1HB ARG 54 -3.946 11.332 -0.275 433 1HG ARG 54 2HG ARG 54 -2.404 13.373 0.327 434 2HG ARG 54 1HG ARG 54 -1.200 12.432 -0.556 435 1HD ARG 54 2HD ARG 54 -2.646 12.349 -2.498 436 2HD ARG 54 1HD ARG 54 -3.914 13.203 -1.619 437 HE ARG 54 HE ARG 54 -1.401 14.612 -1.796 438 1HH1 ARG 54 2HH1 ARG 54 -4.505 14.029 -3.260 439 2HH1 ARG 54 1HH1 ARG 54 -4.516 15.521 -4.138 440 1HH2 ARG 54 1HH2 ARG 54 -1.404 16.581 -2.946 441 2HH2 ARG 54 2HH2 ARG 54 -2.753 16.972 -3.961 442 H THR 55 H THR 55 -5.178 10.277 0.953 443 HA THR 55 HA THR 55 -4.804 7.708 2.351 444 HB THR 55 HB THR 55 -7.337 7.710 2.581 445 HG1 THR 55 HG1 THR 55 -7.918 9.365 1.205 446 1HG2 THR 55 1HG2 THR 55 -7.197 8.627 4.678 447 2HG2 THR 55 2HG2 THR 55 -6.267 10.019 4.125 448 3HG2 THR 55 3HG2 THR 55 -5.480 8.452 4.315 449 H LEU 56 H LEU 56 -6.734 6.173 1.511 450 HA LEU 56 HA LEU 56 -6.089 5.653 -1.225 451 1HB LEU 56 2HB LEU 56 -8.238 4.364 0.456 452 2HB LEU 56 1HB LEU 56 -7.521 3.719 -1.008 453 HG LEU 56 HG LEU 56 -5.803 4.258 1.386 454 1HD1 LEU 56 1HD1 LEU 56 -6.493 2.465 2.540 455 2HD1 LEU 56 2HD1 LEU 56 -6.791 1.515 1.083 456 3HD1 LEU 56 3HD1 LEU 56 -7.995 2.679 1.640 457 1HD2 LEU 56 1HD2 LEU 56 -4.943 3.677 -0.950 458 2HD2 LEU 56 2HD2 LEU 56 -5.582 2.062 -0.644 459 3HD2 LEU 56 3HD2 LEU 56 -4.333 2.729 0.406 460 H SER 57 H SER 57 -8.950 6.836 0.483 461 HA SER 57 HA SER 57 -10.686 6.897 -1.733 462 1HB SER 57 2HB SER 57 -11.993 8.540 -0.361 463 2HB SER 57 1HB SER 57 -11.586 7.057 0.501 464 HG SER 57 HG SER 57 -10.523 9.644 0.803 465 H ASP 58 H ASP 58 -8.191 9.065 -0.645 466 HA ASP 58 HA ASP 58 -8.952 11.392 -2.010 467 1HB ASP 58 2HB ASP 58 -6.180 10.392 -1.325 468 2HB ASP 58 1HB ASP 58 -6.562 12.032 -1.843 469 H TYR 59 H TYR 59 -7.460 8.454 -3.120 470 HA TYR 59 HA TYR 59 -6.925 9.649 -5.744 471 1HB TYR 59 2HB TYR 59 -6.126 6.957 -4.618 472 2HB TYR 59 1HB TYR 59 -5.695 7.555 -6.217 473 HD1 TYR 59 HD1 TYR 59 -4.053 9.357 -6.474 474 HD2 TYR 59 HD2 TYR 59 -5.026 7.786 -2.633 475 HE1 TYR 59 HE1 TYR 59 -2.041 10.423 -5.534 476 HE2 TYR 59 HE2 TYR 59 -3.018 8.848 -1.682 477 HH TYR 59 HH TYR 59 -1.446 10.530 -2.107 478 H ASN 60 H ASN 60 -9.555 8.629 -4.413 479 HA ASN 60 HA ASN 60 -11.516 7.744 -5.148 480 1HB ASN 60 2HB ASN 60 -10.515 7.359 -7.923 481 2HB ASN 60 1HB ASN 60 -12.043 8.027 -7.362 482 1HD2 ASN 60 1HD2 ASN 60 -10.523 9.172 -9.388 483 2HD2 ASN 60 2HD2 ASN 60 -9.944 10.706 -8.847 484 H ILE 61 H ILE 61 -9.751 5.985 -3.982 485 HA ILE 61 HA ILE 61 -9.536 3.608 -5.620 486 HB ILE 61 HB ILE 61 -8.905 4.095 -2.709 487 1HG1 ILE 61 2HG1 ILE 61 -7.176 3.770 -5.170 488 2HG1 ILE 61 1HG1 ILE 61 -7.371 5.227 -4.201 489 1HG2 ILE 61 1HG2 ILE 61 -7.676 1.743 -3.790 490 2HG2 ILE 61 2HG2 ILE 61 -9.428 1.645 -3.967 491 3HG2 ILE 61 3HG2 ILE 61 -8.717 1.911 -2.376 492 1HD1 ILE 61 1HD1 ILE 61 -5.725 4.613 -2.863 493 2HD1 ILE 61 2HD1 ILE 61 -5.427 3.243 -3.933 494 3HD1 ILE 61 3HD1 ILE 61 -6.499 3.062 -2.544 495 H GLN 62 H GLN 62 -10.931 1.945 -5.682 496 HA GLN 62 HA GLN 62 -13.314 2.113 -3.987 497 1HB GLN 62 2HB GLN 62 -12.930 0.277 -6.344 498 2HB GLN 62 1HB GLN 62 -14.439 0.803 -5.610 499 1HG GLN 62 2HG GLN 62 -12.705 2.923 -6.708 500 2HG GLN 62 1HG GLN 62 -13.452 1.830 -7.873 501 1HE2 GLN 62 1HE2 GLN 62 -14.105 4.056 -5.234 502 2HE2 GLN 62 2HE2 GLN 62 -15.718 4.446 -5.713 503 H LYS 63 H LYS 63 -14.294 -0.230 -3.630 504 HA LYS 63 HA LYS 63 -12.513 -1.531 -1.837 505 1HB LYS 63 2HB LYS 63 -14.394 -3.128 -1.526 506 2HB LYS 63 1HB LYS 63 -14.860 -1.445 -1.316 507 1HG LYS 63 2HG LYS 63 -15.596 -1.553 -3.772 508 2HG LYS 63 1HG LYS 63 -15.495 -3.304 -3.576 509 1HD LYS 63 2HD LYS 63 -16.929 -1.987 -1.407 510 2HD LYS 63 1HD LYS 63 -17.679 -1.739 -2.985 511 1HE LYS 63 2HE LYS 63 -18.664 -3.702 -2.197 512 2HE LYS 63 1HE LYS 63 -17.407 -4.268 -3.295 513 1HZ LYS 63 1HZ LYS 63 -16.489 -5.396 -1.645 514 2HZ LYS 63 2HZ LYS 63 -17.747 -4.925 -0.617 515 3HZ LYS 63 3HZ LYS 63 -16.336 -3.997 -0.705 516 H GLU 64 H GLU 64 -12.591 -1.692 -5.120 517 HA GLU 64 HA GLU 64 -11.498 -4.419 -5.085 518 1HB GLU 64 2HB GLU 64 -13.523 -3.245 -6.964 519 2HB GLU 64 1HB GLU 64 -12.460 -4.540 -7.496 520 1HG GLU 64 2HG GLU 64 -13.376 -6.072 -6.005 521 2HG GLU 64 1HG GLU 64 -14.089 -4.811 -5.001 522 H SER 65 H SER 65 -10.409 -1.579 -5.117 523 HA SER 65 HA SER 65 -9.156 -1.283 -7.682 524 1HB SER 65 2HB SER 65 -8.472 0.076 -5.063 525 2HB SER 65 1HB SER 65 -7.976 0.595 -6.674 526 HG SER 65 HG SER 65 -10.309 0.744 -7.112 527 H THR 66 H THR 66 -6.956 -1.539 -8.180 528 HA THR 66 HA THR 66 -5.473 -3.298 -6.336 529 HB THR 66 HB THR 66 -5.562 -3.404 -9.355 530 HG1 THR 66 HG1 THR 66 -6.235 -5.624 -8.781 531 1HG2 THR 66 1HG2 THR 66 -3.435 -4.112 -9.198 532 2HG2 THR 66 2HG2 THR 66 -4.130 -5.589 -8.529 533 3HG2 THR 66 3HG2 THR 66 -3.538 -4.324 -7.451 534 H ILE 67 H ILE 67 -3.259 -2.997 -6.155 535 HA ILE 67 HA ILE 67 -2.129 -0.654 -7.531 536 HB ILE 67 HB ILE 67 -1.796 -1.295 -4.598 537 1HG1 ILE 67 2HG1 ILE 67 -2.709 1.327 -4.936 538 2HG1 ILE 67 1HG1 ILE 67 -3.661 0.372 -6.069 539 1HG2 ILE 67 1HG2 ILE 67 0.272 -0.452 -5.489 540 2HG2 ILE 67 2HG2 ILE 67 -0.498 0.815 -4.535 541 3HG2 ILE 67 3HG2 ILE 67 -0.569 0.871 -6.296 542 1HD1 ILE 67 1HD1 ILE 67 -3.353 -0.343 -3.170 543 2HD1 ILE 67 2HD1 ILE 67 -4.496 -1.005 -4.336 544 3HD1 ILE 67 3HD1 ILE 67 -4.657 0.665 -3.795 545 H HIS 68 H HIS 68 0.144 -0.675 -7.816 546 HA HIS 68 HA HIS 68 1.273 -3.382 -7.785 547 1HB HIS 68 2HB HIS 68 2.276 -0.952 -9.279 548 2HB HIS 68 1HB HIS 68 2.811 -2.617 -9.488 549 HD1 HIS 68 HD1 HIS 68 2.134 -2.285 -12.037 550 HD2 HIS 68 HD2 HIS 68 -1.009 -2.226 -9.321 551 HE1 HIS 68 HE1 HIS 68 0.053 -2.605 -13.411 552 HE2 HIS 68 HE2 HIS 68 -1.843 -2.471 -11.757 553 H LEU 69 H LEU 69 3.181 -3.866 -6.789 554 HA LEU 69 HA LEU 69 4.185 -1.847 -4.915 555 1HB LEU 69 2HB LEU 69 3.490 -3.918 -3.891 556 2HB LEU 69 1HB LEU 69 4.491 -4.847 -4.991 557 HG LEU 69 HG LEU 69 6.470 -3.551 -3.941 558 1HD1 LEU 69 1HD1 LEU 69 5.502 -1.878 -2.670 559 2HD1 LEU 69 2HD1 LEU 69 5.879 -3.107 -1.462 560 3HD1 LEU 69 3HD1 LEU 69 4.228 -2.935 -2.061 561 1HD2 LEU 69 1HD2 LEU 69 5.836 -5.200 -1.777 562 2HD2 LEU 69 2HD2 LEU 69 6.784 -5.622 -3.203 563 3HD2 LEU 69 3HD2 LEU 69 5.047 -5.932 -3.174 564 H VAL 70 H VAL 70 6.311 -1.224 -4.849 565 HA VAL 70 HA VAL 70 8.138 -2.380 -6.837 566 HB VAL 70 HB VAL 70 8.243 0.566 -6.421 567 1HG1 VAL 70 1HG1 VAL 70 8.476 -0.426 -9.121 568 2HG1 VAL 70 2HG1 VAL 70 9.549 -1.297 -8.025 569 3HG1 VAL 70 3HG1 VAL 70 9.646 0.461 -8.142 570 1HG2 VAL 70 1HG2 VAL 70 5.976 0.545 -6.879 571 2HG2 VAL 70 2HG2 VAL 70 6.094 -0.872 -7.921 572 3HG2 VAL 70 3HG2 VAL 70 6.679 0.691 -8.490 573 H LEU 71 H LEU 71 10.272 -2.437 -6.257 574 HA LEU 71 HA LEU 71 10.826 -2.081 -3.445 575 1HB LEU 71 2HB LEU 71 11.820 -3.705 -5.551 576 2HB LEU 71 1HB LEU 71 13.163 -2.759 -4.938 577 HG LEU 71 HG LEU 71 12.627 -3.579 -2.646 578 1HD1 LEU 71 1HD1 LEU 71 10.689 -5.342 -4.132 579 2HD1 LEU 71 2HD1 LEU 71 10.290 -4.106 -2.939 580 3HD1 LEU 71 3HD1 LEU 71 11.171 -5.553 -2.449 581 1HD2 LEU 71 1HD2 LEU 71 13.777 -5.588 -2.899 582 2HD2 LEU 71 2HD2 LEU 71 14.272 -4.644 -4.304 583 3HD2 LEU 71 3HD2 LEU 71 13.056 -5.912 -4.476 584 H ARG 72 H ARG 72 11.782 -0.621 -6.503 585 HA ARG 72 HA ARG 72 12.761 1.371 -6.989 586 1HB ARG 72 2HB ARG 72 11.293 2.457 -5.456 587 2HB ARG 72 1HB ARG 72 12.190 1.860 -4.068 588 1HG ARG 72 2HG ARG 72 13.917 3.373 -4.368 589 2HG ARG 72 1HG ARG 72 13.508 3.654 -6.061 590 1HD ARG 72 2HD ARG 72 12.935 5.506 -4.412 591 2HD ARG 72 1HD ARG 72 11.654 4.983 -5.506 592 HE ARG 72 HE ARG 72 11.457 3.504 -3.138 593 1HH1 ARG 72 2HH1 ARG 72 11.062 6.775 -4.267 594 2HH1 ARG 72 1HH1 ARG 72 9.877 7.181 -3.073 595 1HH2 ARG 72 1HH2 ARG 72 9.897 4.030 -1.560 596 2HH2 ARG 72 2HH2 ARG 72 9.215 5.621 -1.533 597 H LEU 73 H LEU 73 14.816 2.344 -6.996 598 HA LEU 73 HA LEU 73 16.857 0.767 -5.589 599 1HB LEU 73 2HB LEU 73 16.901 2.355 -8.141 600 2HB LEU 73 1HB LEU 73 18.383 1.873 -7.337 601 HG LEU 73 HG LEU 73 16.631 -0.398 -7.657 602 1HD1 LEU 73 1HD1 LEU 73 15.934 1.137 -9.604 603 2HD1 LEU 73 2HD1 LEU 73 16.371 -0.534 -9.962 604 3HD1 LEU 73 3HD1 LEU 73 17.524 0.764 -10.268 605 1HD2 LEU 73 1HD2 LEU 73 19.401 0.354 -8.542 606 2HD2 LEU 73 2HD2 LEU 73 18.670 -1.202 -8.937 607 3HD2 LEU 73 3HD2 LEU 73 18.921 -0.747 -7.251 608 H ARG 74 H ARG 74 18.922 2.040 -5.129 609 HA ARG 74 HA ARG 74 18.171 4.604 -3.893 610 1HB ARG 74 2HB ARG 74 18.836 2.777 -2.335 611 2HB ARG 74 1HB ARG 74 20.419 2.744 -3.101 612 1HG ARG 74 2HG ARG 74 20.486 5.264 -2.482 613 2HG ARG 74 1HG ARG 74 19.214 4.830 -1.337 614 1HD ARG 74 2HD ARG 74 20.634 3.245 -0.252 615 2HD ARG 74 1HD ARG 74 21.865 3.410 -1.502 616 HE ARG 74 HE ARG 74 21.225 5.830 -0.044 617 1HH1 ARG 74 2HH1 ARG 74 23.295 3.046 -0.331 618 2HH1 ARG 74 1HH1 ARG 74 24.590 3.753 0.577 619 1HH2 ARG 74 1HH2 ARG 74 22.922 6.772 1.153 620 2HH2 ARG 74 2HH2 ARG 74 24.378 5.870 1.422 621 H GLY 75 H GLY 75 20.731 2.915 -5.660 622 1HA GLY 75 2HA GLY 75 22.508 5.099 -5.855 623 2HA GLY 75 1HA GLY 75 22.486 3.697 -6.916 624 H GLY 76 HN GLY 76 22.382 6.923 -6.972 625 1HA GLY 76 2HA GLY 76 21.849 8.426 -8.628 626 2HA GLY 76 1HA GLY 76 21.447 7.053 -9.647 Start of MODEL 8 1 2H MET 1 2H MET 1 -13.045 -3.694 3.194 2 3H MET 1 3H MET 1 -14.444 -4.110 2.339 3 1H MET 1 1H MET 1 -14.205 -2.514 2.848 4 HA MET 1 HA MET 1 -13.736 -3.233 0.398 5 1HB MET 1 2HB MET 1 -13.448 -0.980 0.928 6 2HB MET 1 1HB MET 1 -12.250 -1.321 2.167 7 1HG MET 1 2HG MET 1 -10.646 -1.949 0.412 8 2HG MET 1 1HG MET 1 -11.846 -1.527 -0.808 9 1HE MET 1 1HE MET 1 -11.184 1.372 -1.923 10 2HE MET 1 2HE MET 1 -12.389 1.984 -0.789 11 3HE MET 1 3HE MET 1 -12.571 0.374 -1.487 12 H GLN 2 H GLN 2 -12.875 -5.142 -0.225 13 HA GLN 2 HA GLN 2 -10.207 -5.870 0.737 14 1HB GLN 2 2HB GLN 2 -12.445 -7.375 -0.561 15 2HB GLN 2 1HB GLN 2 -10.806 -8.001 -0.676 16 1HG GLN 2 2HG GLN 2 -11.597 -7.221 2.028 17 2HG GLN 2 1HG GLN 2 -12.560 -8.527 1.338 18 1HE2 GLN 2 1HE2 GLN 2 -9.236 -7.494 1.921 19 2HE2 GLN 2 2HE2 GLN 2 -8.587 -9.084 2.116 20 H VAL 3 H VAL 3 -8.627 -4.975 -0.395 21 HA VAL 3 HA VAL 3 -8.895 -4.729 -3.310 22 HB VAL 3 HB VAL 3 -7.029 -3.169 -3.223 23 1HG1 VAL 3 1HG1 VAL 3 -9.365 -2.704 -1.416 24 2HG1 VAL 3 2HG1 VAL 3 -9.024 -2.019 -3.006 25 3HG1 VAL 3 3HG1 VAL 3 -8.121 -1.466 -1.595 26 1HG2 VAL 3 1HG2 VAL 3 -7.040 -3.579 -0.235 27 2HG2 VAL 3 2HG2 VAL 3 -5.990 -2.499 -1.151 28 3HG2 VAL 3 3HG2 VAL 3 -5.838 -4.245 -1.339 29 H PHE 4 H PHE 4 -6.947 -5.162 -4.617 30 HA PHE 4 HA PHE 4 -5.447 -7.457 -3.536 31 1HB PHE 4 2HB PHE 4 -5.939 -6.944 -6.465 32 2HB PHE 4 1HB PHE 4 -5.422 -8.438 -5.692 33 HD1 PHE 4 HD1 PHE 4 -8.221 -6.425 -6.735 34 HD2 PHE 4 HD2 PHE 4 -7.050 -9.719 -4.293 35 HE1 PHE 4 HE1 PHE 4 -10.568 -7.174 -6.626 36 HE2 PHE 4 HE2 PHE 4 -9.394 -10.474 -4.180 37 HZ PHE 4 HZ PHE 4 -11.156 -9.201 -5.347 38 H LEU 5 H LEU 5 -3.260 -7.466 -3.669 39 HA LEU 5 HA LEU 5 -2.001 -5.088 -4.865 40 1HB LEU 5 2HB LEU 5 -1.908 -5.677 -2.288 41 2HB LEU 5 1HB LEU 5 -0.616 -6.742 -2.807 42 HG LEU 5 HG LEU 5 0.111 -4.411 -4.019 43 1HD1 LEU 5 1HD1 LEU 5 -1.334 -2.876 -3.142 44 2HD1 LEU 5 2HD1 LEU 5 -0.062 -2.830 -1.921 45 3HD1 LEU 5 3HD1 LEU 5 -1.531 -3.760 -1.628 46 1HD2 LEU 5 1HD2 LEU 5 0.946 -4.860 -1.196 47 2HD2 LEU 5 2HD2 LEU 5 1.921 -4.478 -2.615 48 3HD2 LEU 5 3HD2 LEU 5 1.285 -6.108 -2.395 49 H LYS 6 H LYS 6 -0.560 -5.366 -6.449 50 HA LYS 6 HA LYS 6 0.184 -8.113 -7.158 51 1HB LYS 6 2HB LYS 6 -0.626 -5.833 -8.672 52 2HB LYS 6 1HB LYS 6 1.014 -6.253 -9.147 53 1HG LYS 6 2HG LYS 6 0.395 -8.339 -9.933 54 2HG LYS 6 1HG LYS 6 -1.089 -8.368 -8.979 55 1HD LYS 6 2HD LYS 6 -2.266 -7.307 -10.564 56 2HD LYS 6 1HD LYS 6 -0.965 -6.159 -10.888 57 1HE LYS 6 2HE LYS 6 0.046 -8.506 -11.881 58 2HE LYS 6 1HE LYS 6 -1.670 -8.642 -12.260 59 1HZ LYS 6 1HZ LYS 6 -0.108 -7.487 -13.925 60 2HZ LYS 6 2HZ LYS 6 -0.206 -6.161 -12.880 61 3HZ LYS 6 3HZ LYS 6 -1.609 -6.778 -13.597 62 H THR 7 H THR 7 2.286 -8.759 -7.378 63 HA THR 7 HA THR 7 4.304 -6.912 -6.301 64 HB THR 7 HB THR 7 5.552 -8.768 -5.549 65 HG1 THR 7 HG1 THR 7 5.301 -10.803 -6.327 66 1HG2 THR 7 1HG2 THR 7 4.055 -8.852 -3.883 67 2HG2 THR 7 2HG2 THR 7 3.423 -10.289 -4.686 68 3HG2 THR 7 3HG2 THR 7 2.689 -8.714 -4.989 69 H LEU 8 H LEU 8 6.623 -7.889 -7.108 70 HA LEU 8 HA LEU 8 6.683 -7.210 -9.908 71 1HB LEU 8 2HB LEU 8 9.045 -8.192 -8.344 72 2HB LEU 8 1HB LEU 8 9.009 -7.070 -9.690 73 HG LEU 8 HG LEU 8 7.784 -6.367 -7.037 74 1HD1 LEU 8 1HD1 LEU 8 10.487 -6.932 -7.413 75 2HD1 LEU 8 2HD1 LEU 8 9.756 -6.049 -6.072 76 3HD1 LEU 8 3HD1 LEU 8 10.366 -5.173 -7.477 77 1HD2 LEU 8 1HD2 LEU 8 7.668 -5.133 -9.461 78 2HD2 LEU 8 2HD2 LEU 8 9.059 -4.339 -8.724 79 3HD2 LEU 8 3HD2 LEU 8 7.497 -4.319 -7.905 80 H THR 9 H THR 9 6.163 -10.044 -8.246 81 HA THR 9 HA THR 9 7.437 -11.723 -10.286 82 HB THR 9 HB THR 9 6.629 -13.604 -8.703 83 HG1 THR 9 HG1 THR 9 6.759 -12.359 -6.456 84 1HG2 THR 9 1HG2 THR 9 8.989 -12.384 -8.975 85 2HG2 THR 9 2HG2 THR 9 8.707 -13.640 -7.770 86 3HG2 THR 9 3HG2 THR 9 8.648 -11.940 -7.303 87 H GLY 10 H GLY 10 4.358 -10.611 -9.168 88 1HA GLY 10 2HA GLY 10 2.640 -10.776 -11.003 89 2HA GLY 10 1HA GLY 10 3.020 -12.491 -11.013 90 H LYS 11 H LYS 11 3.050 -13.242 -8.459 91 HA LYS 11 HA LYS 11 0.625 -13.890 -7.682 92 1HB LYS 11 2HB LYS 11 3.102 -13.736 -6.395 93 2HB LYS 11 1HB LYS 11 1.971 -12.944 -5.305 94 1HG LYS 11 2HG LYS 11 0.532 -14.932 -5.377 95 2HG LYS 11 1HG LYS 11 1.707 -15.725 -6.430 96 1HD LYS 11 2HD LYS 11 2.310 -16.547 -4.361 97 2HD LYS 11 1HD LYS 11 3.385 -15.155 -4.515 98 1HE LYS 11 2HE LYS 11 2.548 -14.907 -2.371 99 2HE LYS 11 1HE LYS 11 1.487 -13.865 -3.318 100 1HZ LYS 11 1HZ LYS 11 -0.268 -15.106 -2.806 101 2HZ LYS 11 2HZ LYS 11 0.695 -15.859 -1.638 102 3HZ LYS 11 3HZ LYS 11 0.526 -16.555 -3.169 103 H THR 12 H THR 12 -0.917 -13.173 -6.111 104 HA THR 12 HA THR 12 -1.104 -10.255 -5.797 105 HB THR 12 HB THR 12 -3.488 -11.960 -6.519 106 HG1 THR 12 HG1 THR 12 -2.314 -10.136 -8.315 107 1HG2 THR 12 1HG2 THR 12 -4.222 -10.017 -5.424 108 2HG2 THR 12 2HG2 THR 12 -4.362 -9.634 -7.139 109 3HG2 THR 12 3HG2 THR 12 -3.002 -9.010 -6.204 110 H VAL 13 H VAL 13 -1.925 -9.562 -3.873 111 HA VAL 13 HA VAL 13 -2.702 -11.656 -1.949 112 HB VAL 13 HB VAL 13 -1.864 -10.140 -0.172 113 1HG1 VAL 13 1HG1 VAL 13 0.647 -10.289 -1.220 114 2HG1 VAL 13 2HG1 VAL 13 -0.222 -11.469 -2.202 115 3HG1 VAL 13 3HG1 VAL 13 -0.205 -11.625 -0.445 116 1HG2 VAL 13 1HG2 VAL 13 -0.099 -8.476 -1.509 117 2HG2 VAL 13 2HG2 VAL 13 -1.591 -7.993 -0.703 118 3HG2 VAL 13 3HG2 VAL 13 -1.597 -8.343 -2.431 119 H THR 14 H THR 14 -4.310 -11.153 -0.404 120 HA THR 14 HA THR 14 -6.142 -9.019 -1.277 121 HB THR 14 HB THR 14 -7.629 -10.622 0.393 122 HG1 THR 14 HG1 THR 14 -5.945 -12.297 -1.188 123 1HG2 THR 14 1HG2 THR 14 -8.700 -9.984 -1.531 124 2HG2 THR 14 2HG2 THR 14 -8.338 -11.663 -1.935 125 3HG2 THR 14 3HG2 THR 14 -7.317 -10.367 -2.557 126 H ILE 15 H ILE 15 -5.691 -7.276 -0.045 127 HA ILE 15 HA ILE 15 -5.472 -7.669 2.866 128 HB ILE 15 HB ILE 15 -4.558 -5.272 1.277 129 1HG1 ILE 15 2HG1 ILE 15 -2.942 -7.570 2.404 130 2HG1 ILE 15 1HG1 ILE 15 -3.243 -7.265 0.695 131 1HG2 ILE 15 1HG2 ILE 15 -4.768 -5.886 4.124 132 2HG2 ILE 15 2HG2 ILE 15 -4.609 -4.332 3.306 133 3HG2 ILE 15 3HG2 ILE 15 -3.175 -5.305 3.636 134 1HD1 ILE 15 1HD1 ILE 15 -2.035 -5.036 2.175 135 2HD1 ILE 15 2HD1 ILE 15 -1.670 -5.673 0.572 136 3HD1 ILE 15 3HD1 ILE 15 -1.034 -6.478 2.006 137 H GLU 16 H GLU 16 -6.605 -6.302 4.270 138 HA GLU 16 HA GLU 16 -9.008 -5.118 3.077 139 1HB GLU 16 2HB GLU 16 -8.667 -6.807 5.258 140 2HB GLU 16 1HB GLU 16 -8.951 -5.232 5.987 141 1HG GLU 16 2HG GLU 16 -11.033 -5.005 4.813 142 2HG GLU 16 1HG GLU 16 -10.732 -6.492 3.916 143 H VAL 17 H VAL 17 -9.244 -2.982 2.984 144 HA VAL 17 HA VAL 17 -7.845 -1.294 4.925 145 HB VAL 17 HB VAL 17 -6.899 0.154 3.317 146 1HG1 VAL 17 1HG1 VAL 17 -5.189 -1.161 2.692 147 2HG1 VAL 17 2HG1 VAL 17 -6.235 -2.276 1.813 148 3HG1 VAL 17 3HG1 VAL 17 -6.067 -2.419 3.563 149 1HG2 VAL 17 1HG2 VAL 17 -8.906 -1.022 1.556 150 2HG2 VAL 17 2HG2 VAL 17 -7.332 -0.821 0.787 151 3HG2 VAL 17 3HG2 VAL 17 -8.146 0.568 1.506 152 H GLU 18 H GLU 18 -8.604 0.994 4.824 153 HA GLU 18 HA GLU 18 -11.434 1.117 4.009 154 1HB GLU 18 2HB GLU 18 -10.333 2.733 6.286 155 2HB GLU 18 1HB GLU 18 -11.999 2.277 5.958 156 1HG GLU 18 2HG GLU 18 -10.258 -0.013 6.392 157 2HG GLU 18 1HG GLU 18 -10.320 1.086 7.769 158 HA PRO 19 HA PRO 19 -10.501 4.552 1.427 159 1HB PRO 19 2HB PRO 19 -12.756 6.090 1.973 160 2HB PRO 19 1HB PRO 19 -12.660 4.802 0.769 161 1HG PRO 19 2HG PRO 19 -13.746 4.728 3.548 162 2HG PRO 19 1HG PRO 19 -14.343 3.922 2.086 163 1HD PRO 19 2HD PRO 19 -12.983 2.582 3.969 164 2HD PRO 19 1HD PRO 19 -12.783 2.211 2.242 165 H SER 20 H SER 20 -11.457 5.107 4.768 166 HA SER 20 HA SER 20 -10.389 7.793 4.799 167 1HB SER 20 2HB SER 20 -10.815 7.325 7.393 168 2HB SER 20 1HB SER 20 -12.133 7.719 6.290 169 HG SER 20 HG SER 20 -12.264 5.752 7.748 170 H ASP 21 H ASP 21 -8.882 4.967 4.610 171 HA ASP 21 HA ASP 21 -6.958 5.266 6.744 172 1HB ASP 21 2HB ASP 21 -7.158 3.371 4.401 173 2HB ASP 21 1HB ASP 21 -5.806 3.355 5.531 174 H THR 22 H THR 22 -4.687 5.600 6.407 175 HA THR 22 HA THR 22 -4.168 7.415 4.160 176 HB THR 22 HB THR 22 -2.380 8.357 5.433 177 HG1 THR 22 HG1 THR 22 -1.721 7.450 7.410 178 1HG2 THR 22 1HG2 THR 22 -5.008 8.000 6.729 179 2HG2 THR 22 2HG2 THR 22 -4.149 9.478 6.295 180 3HG2 THR 22 3HG2 THR 22 -3.714 8.605 7.765 181 H VAL 23 H VAL 23 -2.192 7.284 2.993 182 HA VAL 23 HA VAL 23 -1.498 4.791 2.043 183 HB VAL 23 HB VAL 23 0.210 7.283 2.102 184 1HG1 VAL 23 1HG1 VAL 23 0.497 4.796 0.419 185 2HG1 VAL 23 2HG1 VAL 23 1.578 5.302 1.718 186 3HG1 VAL 23 3HG1 VAL 23 1.448 6.271 0.251 187 1HG2 VAL 23 1HG2 VAL 23 -0.645 7.747 -0.072 188 2HG2 VAL 23 2HG2 VAL 23 -2.028 7.428 0.974 189 3HG2 VAL 23 3HG2 VAL 23 -1.466 6.188 -0.148 190 H GLU 24 H GLU 24 0.021 6.658 4.636 191 HA GLU 24 HA GLU 24 2.272 5.143 5.115 192 1HB GLU 24 2HB GLU 24 0.779 7.135 6.503 193 2HB GLU 24 1HB GLU 24 1.159 5.851 7.642 194 1HG GLU 24 2HG GLU 24 3.437 6.169 7.447 195 2HG GLU 24 1HG GLU 24 3.295 6.961 5.878 196 H ASN 25 H ASN 25 -0.961 4.680 6.538 197 HA ASN 25 HA ASN 25 -0.347 2.397 8.035 198 1HB ASN 25 2HB ASN 25 -2.866 3.589 6.957 199 2HB ASN 25 1HB ASN 25 -2.922 1.956 7.614 200 1HD2 ASN 25 1HD2 ASN 25 -2.138 5.295 8.343 201 2HD2 ASN 25 2HD2 ASN 25 -2.349 5.166 10.053 202 H PHE 26 H PHE 26 -1.505 2.744 4.710 203 HA PHE 26 HA PHE 26 -1.984 0.080 4.107 204 1HB PHE 26 2HB PHE 26 -2.409 2.154 2.666 205 2HB PHE 26 1HB PHE 26 -0.732 2.002 2.150 206 HD1 PHE 26 HD1 PHE 26 -1.620 -1.237 2.703 207 HD2 PHE 26 HD2 PHE 26 -2.485 1.957 0.013 208 HE1 PHE 26 HE1 PHE 26 -2.298 -2.872 0.987 209 HE2 PHE 26 HE2 PHE 26 -3.166 0.327 -1.708 210 HZ PHE 26 HZ PHE 26 -3.072 -2.091 -1.221 211 H LYS 27 H LYS 27 1.049 1.906 3.746 212 HA LYS 27 HA LYS 27 2.579 -0.254 2.777 213 1HB LYS 27 2HB LYS 27 3.591 2.127 4.336 214 2HB LYS 27 1HB LYS 27 4.514 1.119 3.231 215 1HG LYS 27 2HG LYS 27 3.137 1.898 1.367 216 2HG LYS 27 1HG LYS 27 2.219 2.917 2.478 217 1HD LYS 27 2HD LYS 27 3.733 4.531 2.286 218 2HD LYS 27 1HD LYS 27 4.999 3.435 2.843 219 1HE LYS 27 2HE LYS 27 5.856 3.859 0.793 220 2HE LYS 27 1HE LYS 27 4.747 2.573 0.318 221 1HZ LYS 27 1HZ LYS 27 4.775 5.249 -0.524 222 2HZ LYS 27 2HZ LYS 27 3.325 4.974 0.303 223 3HZ LYS 27 3HZ LYS 27 3.743 4.002 -1.017 224 H ALA 28 H ALA 28 1.719 0.778 6.001 225 HA ALA 28 HA ALA 28 3.657 -0.738 7.408 226 1HB ALA 28 1HB ALA 28 1.652 -0.537 9.199 227 2HB ALA 28 2HB ALA 28 1.207 0.755 8.084 228 3HB ALA 28 3HB ALA 28 2.793 0.764 8.855 229 H LYS 29 H LYS 29 0.340 -1.401 6.375 230 HA LYS 29 HA LYS 29 0.147 -3.935 7.638 231 1HB LYS 29 2HB LYS 29 -1.379 -2.904 5.241 232 2HB LYS 29 1HB LYS 29 -1.841 -4.259 6.261 233 1HG LYS 29 2HG LYS 29 -1.941 -2.634 8.181 234 2HG LYS 29 1HG LYS 29 -1.766 -1.345 6.988 235 1HD LYS 29 2HD LYS 29 -3.809 -1.928 5.930 236 2HD LYS 29 1HD LYS 29 -3.923 -3.439 6.835 237 1HE LYS 29 2HE LYS 29 -3.829 -0.851 8.316 238 2HE LYS 29 1HE LYS 29 -5.334 -1.347 7.544 239 1HZ LYS 29 1HZ LYS 29 -4.414 -3.569 8.888 240 2HZ LYS 29 2HZ LYS 29 -5.714 -2.581 9.328 241 3HZ LYS 29 3HZ LYS 29 -4.173 -2.279 9.957 242 H ILE 30 H ILE 30 1.183 -2.868 4.446 243 HA ILE 30 HA ILE 30 1.354 -5.410 3.239 244 HB ILE 30 HB ILE 30 2.828 -2.844 2.654 245 1HG1 ILE 30 2HG1 ILE 30 0.559 -4.228 1.206 246 2HG1 ILE 30 1HG1 ILE 30 0.372 -2.855 2.292 247 1HG2 ILE 30 1HG2 ILE 30 2.825 -5.437 1.121 248 2HG2 ILE 30 2HG2 ILE 30 4.209 -4.640 1.866 249 3HG2 ILE 30 3HG2 ILE 30 3.407 -3.901 0.480 250 1HD1 ILE 30 1HD1 ILE 30 1.936 -2.847 -0.276 251 2HD1 ILE 30 2HD1 ILE 30 1.692 -1.472 0.801 252 3HD1 ILE 30 3HD1 ILE 30 0.318 -2.182 -0.047 253 H GLN 31 H GLN 31 3.592 -3.559 5.222 254 HA GLN 31 HA GLN 31 5.924 -5.027 4.779 255 1HB GLN 31 2HB GLN 31 5.476 -2.850 6.173 256 2HB GLN 31 1HB GLN 31 5.278 -3.976 7.508 257 1HG GLN 31 2HG GLN 31 7.631 -4.761 6.233 258 2HG GLN 31 1HG GLN 31 7.683 -2.999 6.274 259 1HE2 GLN 31 1HE2 GLN 31 6.839 -5.724 8.385 260 2HE2 GLN 31 2HE2 GLN 31 7.577 -5.075 9.805 261 H ASP 32 H ASP 32 3.248 -5.584 7.007 262 HA ASP 32 HA ASP 32 4.389 -7.746 8.411 263 1HB ASP 32 2HB ASP 32 1.926 -6.346 8.408 264 2HB ASP 32 1HB ASP 32 1.541 -8.054 8.209 265 H LYS 33 H LYS 33 3.384 -7.518 5.206 266 HA LYS 33 HA LYS 33 2.701 -10.345 4.969 267 1HB LYS 33 2HB LYS 33 2.475 -7.966 3.172 268 2HB LYS 33 1HB LYS 33 2.476 -9.578 2.469 269 1HG LYS 33 2HG LYS 33 0.239 -9.262 2.742 270 2HG LYS 33 1HG LYS 33 0.628 -10.014 4.290 271 1HD LYS 33 2HD LYS 33 1.034 -7.511 5.013 272 2HD LYS 33 1HD LYS 33 -0.055 -7.183 3.665 273 1HE LYS 33 2HE LYS 33 -1.815 -8.375 4.651 274 2HE LYS 33 1HE LYS 33 -0.739 -9.195 5.783 275 1HZ LYS 33 1HZ LYS 33 -0.311 -6.905 6.732 276 2HZ LYS 33 2HZ LYS 33 -1.838 -7.568 7.029 277 3HZ LYS 33 3HZ LYS 33 -1.649 -6.381 5.839 278 H GLU 34 H GLU 34 4.921 -8.075 3.338 279 HA GLU 34 HA GLU 34 6.587 -10.357 2.555 280 1HB GLU 34 2HB GLU 34 6.722 -7.475 1.652 281 2HB GLU 34 1HB GLU 34 7.667 -8.806 1.000 282 1HG GLU 34 2HG GLU 34 4.751 -9.181 0.960 283 2HG GLU 34 1HG GLU 34 5.375 -7.901 -0.080 284 H GLY 35 H GLY 35 6.498 -7.735 4.755 285 1HA GLY 35 2HA GLY 35 7.940 -7.215 6.480 286 2HA GLY 35 1HA GLY 35 8.940 -8.574 5.990 287 H ILE 36 H ILE 36 7.986 -5.813 4.011 288 HA ILE 36 HA ILE 36 10.836 -5.153 3.711 289 HB ILE 36 HB ILE 36 8.544 -4.422 1.884 290 1HG1 ILE 36 2HG1 ILE 36 10.739 -6.358 1.213 291 2HG1 ILE 36 1HG1 ILE 36 9.319 -6.906 2.099 292 1HG2 ILE 36 1HG2 ILE 36 10.896 -3.116 2.129 293 2HG2 ILE 36 2HG2 ILE 36 9.978 -3.227 0.628 294 3HG2 ILE 36 3HG2 ILE 36 11.321 -4.330 0.923 295 1HD1 ILE 36 1HD1 ILE 36 8.285 -7.175 0.169 296 2HD1 ILE 36 2HD1 ILE 36 9.644 -6.461 -0.701 297 3HD1 ILE 36 3HD1 ILE 36 8.355 -5.430 -0.078 298 HA PRO 37 HA PRO 37 10.241 -1.476 6.118 299 1HB PRO 37 2HB PRO 37 12.413 -0.467 4.348 300 2HB PRO 37 1HB PRO 37 12.312 -0.477 6.112 301 1HG PRO 37 2HG PRO 37 13.876 -2.210 4.828 302 2HG PRO 37 1HG PRO 37 12.961 -2.700 6.267 303 1HD PRO 37 2HD PRO 37 12.424 -3.282 3.388 304 2HD PRO 37 1HD PRO 37 12.170 -4.307 4.815 305 HA PRO 38 HA PRO 38 7.390 0.727 3.469 306 1HB PRO 38 2HB PRO 38 7.883 2.797 5.564 307 2HB PRO 38 1HB PRO 38 6.353 2.202 4.909 308 1HG PRO 38 2HG PRO 38 7.196 1.414 7.308 309 2HG PRO 38 1HG PRO 38 6.395 0.278 6.208 310 1HD PRO 38 2HD PRO 38 9.281 0.520 6.914 311 2HD PRO 38 1HD PRO 38 8.330 -0.927 6.527 312 H ASP 39 H ASP 39 10.391 2.084 4.714 313 HA ASP 39 HA ASP 39 10.535 4.397 3.167 314 1HB ASP 39 2HB ASP 39 13.110 3.926 3.388 315 2HB ASP 39 1HB ASP 39 12.156 4.318 4.816 316 H GLN 40 H GLN 40 10.679 1.144 2.199 317 HA GLN 40 HA GLN 40 11.747 1.947 -0.428 318 1HB GLN 40 2HB GLN 40 11.889 -0.886 0.530 319 2HB GLN 40 1HB GLN 40 12.885 -0.066 -0.664 320 1HG GLN 40 2HG GLN 40 13.229 1.217 1.855 321 2HG GLN 40 1HG GLN 40 13.436 -0.522 2.061 322 1HE2 GLN 40 1HE2 GLN 40 14.594 -1.336 -0.197 323 2HE2 GLN 40 2HE2 GLN 40 16.125 -0.568 -0.426 324 H GLN 41 H GLN 41 8.957 1.682 0.825 325 HA GLN 41 HA GLN 41 7.802 -0.295 -1.003 326 1HB GLN 41 2HB GLN 41 6.778 1.114 1.443 327 2HB GLN 41 1HB GLN 41 5.665 0.348 0.319 328 1HG GLN 41 2HG GLN 41 7.220 -1.721 0.638 329 2HG GLN 41 1HG GLN 41 7.690 -0.887 2.118 330 1HE2 GLN 41 1HE2 GLN 41 6.755 -2.121 3.631 331 2HE2 GLN 41 2HE2 GLN 41 5.058 -2.434 3.737 332 H ARG 42 H ARG 42 7.300 0.450 -2.951 333 HA ARG 42 HA ARG 42 6.250 3.192 -3.184 334 1HB ARG 42 2HB ARG 42 7.378 1.590 -5.467 335 2HB ARG 42 1HB ARG 42 7.147 3.329 -5.361 336 1HG ARG 42 2HG ARG 42 8.874 2.709 -3.267 337 2HG ARG 42 1HG ARG 42 9.426 1.730 -4.629 338 1HD ARG 42 2HD ARG 42 10.409 3.527 -5.480 339 2HD ARG 42 1HD ARG 42 8.823 4.273 -5.667 340 HE ARG 42 HE ARG 42 10.803 4.883 -3.675 341 1HH1 ARG 42 2HH1 ARG 42 7.410 4.962 -4.458 342 2HH1 ARG 42 1HH1 ARG 42 7.053 6.252 -3.358 343 1HH2 ARG 42 1HH2 ARG 42 10.345 6.581 -2.224 344 2HH2 ARG 42 2HH2 ARG 42 8.723 7.173 -2.088 345 H LEU 43 H LEU 43 4.117 3.245 -3.398 346 HA LEU 43 HA LEU 43 2.746 0.988 -4.670 347 1HB LEU 43 2HB LEU 43 1.504 3.290 -3.173 348 2HB LEU 43 1HB LEU 43 0.741 1.775 -3.619 349 HG LEU 43 HG LEU 43 3.003 2.039 -1.637 350 1HD1 LEU 43 1HD1 LEU 43 0.808 1.142 -0.275 351 2HD1 LEU 43 2HD1 LEU 43 0.113 2.335 -1.372 352 3HD1 LEU 43 3HD1 LEU 43 1.409 2.800 -0.271 353 1HD2 LEU 43 1HD2 LEU 43 1.681 -0.344 -1.218 354 2HD2 LEU 43 2HD2 LEU 43 3.236 -0.144 -2.026 355 3HD2 LEU 43 3HD2 LEU 43 1.751 -0.216 -2.976 356 H ILE 44 H ILE 44 2.592 1.239 -6.811 357 HA ILE 44 HA ILE 44 2.056 3.905 -7.907 358 HB ILE 44 HB ILE 44 2.684 1.420 -9.489 359 1HG1 ILE 44 2HG1 ILE 44 4.576 1.601 -8.103 360 2HG1 ILE 44 1HG1 ILE 44 5.035 2.462 -9.568 361 1HG2 ILE 44 1HG2 ILE 44 1.853 3.030 -10.939 362 2HG2 ILE 44 2HG2 ILE 44 3.598 3.269 -11.040 363 3HG2 ILE 44 3HG2 ILE 44 2.613 4.357 -10.061 364 1HD1 ILE 44 1HD1 ILE 44 4.771 3.423 -6.843 365 2HD1 ILE 44 2HD1 ILE 44 3.931 4.437 -8.017 366 3HD1 ILE 44 3HD1 ILE 44 5.653 4.106 -8.209 367 H PHE 45 H PHE 45 -0.072 4.325 -7.907 368 HA PHE 45 HA PHE 45 -1.862 2.296 -9.075 369 1HB PHE 45 2HB PHE 45 -2.381 2.544 -6.722 370 2HB PHE 45 1HB PHE 45 -2.452 4.296 -6.885 371 HD1 PHE 45 HD1 PHE 45 -4.206 1.150 -7.408 372 HD2 PHE 45 HD2 PHE 45 -4.337 5.369 -8.012 373 HE1 PHE 45 HE1 PHE 45 -6.619 1.002 -7.886 374 HE2 PHE 45 HE2 PHE 45 -6.751 5.229 -8.491 375 HZ PHE 45 HZ PHE 45 -7.894 3.044 -8.427 376 H ALA 46 H ALA 46 -2.856 2.887 -10.888 377 HA ALA 46 HA ALA 46 -3.496 4.148 -12.676 378 1HB ALA 46 1HB ALA 46 -5.004 5.873 -12.222 379 2HB ALA 46 2HB ALA 46 -4.178 6.327 -10.731 380 3HB ALA 46 3HB ALA 46 -5.108 4.831 -10.803 381 H GLY 47 H GLY 47 -0.773 4.267 -12.229 382 1HA GLY 47 2HA GLY 47 1.080 5.457 -12.872 383 2HA GLY 47 1HA GLY 47 -0.026 6.521 -13.727 384 H LYS 48 H LYS 48 -0.408 6.109 -10.313 385 HA LYS 48 HA LYS 48 0.860 8.730 -9.864 386 1HB LYS 48 2HB LYS 48 -1.856 7.772 -9.188 387 2HB LYS 48 1HB LYS 48 -1.031 8.684 -7.932 388 1HG LYS 48 2HG LYS 48 -0.884 9.896 -10.592 389 2HG LYS 48 1HG LYS 48 -2.515 9.767 -9.931 390 1HD LYS 48 2HD LYS 48 -0.823 10.658 -7.845 391 2HD LYS 48 1HD LYS 48 -0.454 11.629 -9.272 392 1HE LYS 48 2HE LYS 48 -2.995 11.896 -9.503 393 2HE LYS 48 1HE LYS 48 -3.076 11.302 -7.845 394 1HZ LYS 48 1HZ LYS 48 -1.565 13.127 -7.211 395 2HZ LYS 48 2HZ LYS 48 -3.037 13.682 -7.831 396 3HZ LYS 48 3HZ LYS 48 -1.645 13.726 -8.791 397 H GLN 49 H GLN 49 2.436 8.689 -8.415 398 HA GLN 49 HA GLN 49 2.919 6.323 -6.847 399 1HB GLN 49 2HB GLN 49 4.444 8.572 -7.772 400 2HB GLN 49 1HB GLN 49 4.662 8.396 -6.036 401 1HG GLN 49 2HG GLN 49 5.424 6.144 -6.295 402 2HG GLN 49 1HG GLN 49 5.032 6.161 -8.014 403 1HE2 GLN 49 1HE2 GLN 49 7.129 7.540 -5.556 404 2HE2 GLN 49 2HE2 GLN 49 8.419 7.960 -6.626 405 H LEU 50 H LEU 50 1.378 6.124 -5.276 406 HA LEU 50 HA LEU 50 0.190 8.067 -3.745 407 1HB LEU 50 2HB LEU 50 0.957 5.243 -3.033 408 2HB LEU 50 1HB LEU 50 0.005 6.260 -1.968 409 HG LEU 50 HG LEU 50 -1.332 6.417 -4.396 410 1HD1 LEU 50 1HD1 LEU 50 -1.711 3.939 -4.841 411 2HD1 LEU 50 2HD1 LEU 50 -0.203 3.669 -3.967 412 3HD1 LEU 50 3HD1 LEU 50 -0.208 4.642 -5.438 413 1HD2 LEU 50 1HD2 LEU 50 -2.275 6.271 -2.113 414 2HD2 LEU 50 2HD2 LEU 50 -1.903 4.547 -2.103 415 3HD2 LEU 50 3HD2 LEU 50 -3.065 5.191 -3.263 416 H GLU 51 H GLU 51 0.743 9.329 -2.066 417 HA GLU 51 HA GLU 51 3.509 9.145 -1.103 418 1HB GLU 51 2HB GLU 51 1.565 11.383 -1.430 419 2HB GLU 51 1HB GLU 51 2.767 11.512 -0.154 420 1HG GLU 51 2HG GLU 51 4.512 11.680 -1.615 421 2HG GLU 51 1HG GLU 51 3.682 10.777 -2.881 422 H ASP 52 H ASP 52 3.963 9.446 1.148 423 HA ASP 52 HA ASP 52 2.190 7.985 2.835 424 1HB ASP 52 2HB ASP 52 4.480 9.588 3.909 425 2HB ASP 52 1HB ASP 52 3.897 8.004 4.410 426 H GLY 53 H GLY 53 1.916 11.065 1.800 427 1HA GLY 53 2HA GLY 53 0.888 12.057 4.377 428 2HA GLY 53 1HA GLY 53 1.394 13.078 3.038 429 H ARG 54 H ARG 54 -0.106 10.785 1.429 430 HA ARG 54 HA ARG 54 -2.692 12.177 1.541 431 1HB ARG 54 2HB ARG 54 -1.151 10.838 -0.626 432 2HB ARG 54 1HB ARG 54 -2.905 10.791 -0.725 433 1HG ARG 54 2HG ARG 54 -2.376 12.678 -1.941 434 2HG ARG 54 1HG ARG 54 -2.763 13.343 -0.352 435 1HD ARG 54 2HD ARG 54 -0.624 13.963 0.059 436 2HD ARG 54 1HD ARG 54 0.055 12.586 -0.807 437 HE ARG 54 HE ARG 54 0.093 13.843 -2.733 438 1HH1 ARG 54 2HH1 ARG 54 -1.755 15.492 -0.284 439 2HH1 ARG 54 1HH1 ARG 54 -1.856 16.973 -1.175 440 1HH2 ARG 54 1HH2 ARG 54 -0.034 15.789 -3.914 441 2HH2 ARG 54 2HH2 ARG 54 -0.878 17.143 -3.239 442 H THR 55 H THR 55 -4.604 10.762 0.919 443 HA THR 55 HA THR 55 -4.385 8.169 2.308 444 HB THR 55 HB THR 55 -6.623 8.409 3.119 445 HG1 THR 55 HG1 THR 55 -6.725 10.445 1.214 446 1HG2 THR 55 1HG2 THR 55 -5.444 11.144 3.526 447 2HG2 THR 55 2HG2 THR 55 -4.714 9.706 4.239 448 3HG2 THR 55 3HG2 THR 55 -6.364 10.159 4.662 449 H LEU 56 H LEU 56 -6.312 6.700 1.695 450 HA LEU 56 HA LEU 56 -6.090 6.057 -1.030 451 1HB LEU 56 2HB LEU 56 -8.275 5.200 0.866 452 2HB LEU 56 1HB LEU 56 -7.791 4.388 -0.611 453 HG LEU 56 HG LEU 56 -6.119 4.655 1.887 454 1HD1 LEU 56 1HD1 LEU 56 -8.187 2.881 1.285 455 2HD1 LEU 56 2HD1 LEU 56 -6.989 2.732 2.570 456 3HD1 LEU 56 3HD1 LEU 56 -6.698 1.980 1.002 457 1HD2 LEU 56 1HD2 LEU 56 -4.785 4.689 -0.185 458 2HD2 LEU 56 2HD2 LEU 56 -5.530 3.164 -0.664 459 3HD2 LEU 56 3HD2 LEU 56 -4.514 3.235 0.775 460 H SER 57 H SER 57 -8.612 7.740 0.788 461 HA SER 57 HA SER 57 -10.500 7.955 -1.269 462 1HB SER 57 2HB SER 57 -11.605 9.540 0.086 463 2HB SER 57 1HB SER 57 -10.769 8.493 1.233 464 HG SER 57 HG SER 57 -10.259 11.145 0.532 465 H ASP 58 H ASP 58 -7.560 9.692 -0.654 466 HA ASP 58 HA ASP 58 -8.101 11.991 -2.212 467 1HB ASP 58 2HB ASP 58 -5.639 10.695 -1.123 468 2HB ASP 58 1HB ASP 58 -5.460 11.937 -2.358 469 H TYR 59 H TYR 59 -6.967 8.779 -2.980 470 HA TYR 59 HA TYR 59 -6.495 9.554 -5.767 471 1HB TYR 59 2HB TYR 59 -5.898 6.953 -4.340 472 2HB TYR 59 1HB TYR 59 -5.478 7.322 -6.009 473 HD1 TYR 59 HD1 TYR 59 -4.762 8.144 -2.479 474 HD2 TYR 59 HD2 TYR 59 -3.561 8.648 -6.539 475 HE1 TYR 59 HE1 TYR 59 -2.618 9.095 -1.722 476 HE2 TYR 59 HE2 TYR 59 -1.415 9.599 -5.793 477 HH TYR 59 HH TYR 59 -0.819 10.414 -2.469 478 H ASN 60 H ASN 60 -9.130 9.038 -4.216 479 HA ASN 60 HA ASN 60 -11.163 8.071 -4.581 480 1HB ASN 60 2HB ASN 60 -10.094 8.451 -7.373 481 2HB ASN 60 1HB ASN 60 -11.713 7.824 -7.079 482 1HD2 ASN 60 1HD2 ASN 60 -12.103 9.848 -8.387 483 2HD2 ASN 60 2HD2 ASN 60 -12.377 11.302 -7.495 484 H ILE 61 H ILE 61 -9.500 6.192 -3.670 485 HA ILE 61 HA ILE 61 -9.436 3.913 -5.451 486 HB ILE 61 HB ILE 61 -8.704 4.116 -2.529 487 1HG1 ILE 61 2HG1 ILE 61 -6.994 4.133 -5.027 488 2HG1 ILE 61 1HG1 ILE 61 -7.270 5.497 -3.946 489 1HG2 ILE 61 1HG2 ILE 61 -8.997 1.870 -2.732 490 2HG2 ILE 61 2HG2 ILE 61 -7.348 1.988 -3.348 491 3HG2 ILE 61 3HG2 ILE 61 -8.704 1.876 -4.471 492 1HD1 ILE 61 1HD1 ILE 61 -5.741 2.978 -3.382 493 2HD1 ILE 61 2HD1 ILE 61 -6.206 4.129 -2.129 494 3HD1 ILE 61 3HD1 ILE 61 -5.136 4.634 -3.438 495 H GLN 62 H GLN 62 -10.808 2.224 -5.476 496 HA GLN 62 HA GLN 62 -12.953 2.177 -3.457 497 1HB GLN 62 2HB GLN 62 -13.096 1.683 -6.427 498 2HB GLN 62 1HB GLN 62 -14.357 1.151 -5.324 499 1HG GLN 62 2HG GLN 62 -13.555 3.927 -6.076 500 2HG GLN 62 1HG GLN 62 -15.150 3.175 -6.111 501 1HE2 GLN 62 1HE2 GLN 62 -13.485 5.470 -4.623 502 2HE2 GLN 62 2HE2 GLN 62 -14.197 5.429 -3.050 503 H LYS 63 H LYS 63 -14.135 -0.088 -3.651 504 HA LYS 63 HA LYS 63 -12.242 -2.021 -2.801 505 1HB LYS 63 2HB LYS 63 -14.260 -3.568 -2.852 506 2HB LYS 63 1HB LYS 63 -14.387 -2.151 -1.820 507 1HG LYS 63 2HG LYS 63 -15.368 -1.697 -4.526 508 2HG LYS 63 1HG LYS 63 -16.242 -2.961 -3.657 509 1HD LYS 63 2HD LYS 63 -15.670 -0.469 -2.168 510 2HD LYS 63 1HD LYS 63 -16.861 -0.364 -3.465 511 1HE LYS 63 2HE LYS 63 -18.050 -0.866 -1.471 512 2HE LYS 63 1HE LYS 63 -18.012 -2.343 -2.433 513 1HZ LYS 63 1HZ LYS 63 -16.235 -3.179 -1.065 514 2HZ LYS 63 2HZ LYS 63 -17.534 -2.735 -0.077 515 3HZ LYS 63 3HZ LYS 63 -16.172 -1.737 -0.181 516 H GLU 64 H GLU 64 -11.943 -4.165 -3.728 517 HA GLU 64 HA GLU 64 -11.427 -5.608 -5.410 518 1HB GLU 64 2HB GLU 64 -13.141 -4.056 -7.320 519 2HB GLU 64 1HB GLU 64 -12.839 -5.788 -7.261 520 1HG GLU 64 2HG GLU 64 -14.058 -5.148 -4.827 521 2HG GLU 64 1HG GLU 64 -14.949 -4.260 -6.062 522 H SER 65 H SER 65 -10.461 -2.566 -5.225 523 HA SER 65 HA SER 65 -9.320 -2.142 -7.821 524 1HB SER 65 2HB SER 65 -9.057 -0.773 -5.155 525 2HB SER 65 1HB SER 65 -7.991 -0.350 -6.494 526 HG SER 65 HG SER 65 -10.811 -0.383 -6.739 527 H THR 66 H THR 66 -7.143 -2.291 -8.419 528 HA THR 66 HA THR 66 -5.505 -4.007 -6.671 529 HB THR 66 HB THR 66 -5.199 -3.892 -9.663 530 HG1 THR 66 HG1 THR 66 -7.099 -4.839 -9.722 531 1HG2 THR 66 1HG2 THR 66 -3.763 -5.127 -7.593 532 2HG2 THR 66 2HG2 THR 66 -3.582 -5.388 -9.328 533 3HG2 THR 66 3HG2 THR 66 -4.666 -6.415 -8.390 534 H ILE 67 H ILE 67 -3.535 -3.299 -6.114 535 HA ILE 67 HA ILE 67 -2.475 -0.932 -7.518 536 HB ILE 67 HB ILE 67 -2.145 -1.582 -4.586 537 1HG1 ILE 67 2HG1 ILE 67 -3.514 0.901 -5.304 538 2HG1 ILE 67 1HG1 ILE 67 -4.383 -0.537 -5.832 539 1HG2 ILE 67 1HG2 ILE 67 -1.253 0.773 -6.241 540 2HG2 ILE 67 2HG2 ILE 67 -0.227 -0.411 -5.429 541 3HG2 ILE 67 3HG2 ILE 67 -1.200 0.713 -4.479 542 1HD1 ILE 67 1HD1 ILE 67 -5.151 -0.829 -3.786 543 2HD1 ILE 67 2HD1 ILE 67 -4.289 0.617 -3.260 544 3HD1 ILE 67 3HD1 ILE 67 -3.504 -0.960 -3.169 545 H HIS 68 H HIS 68 -0.239 -0.807 -7.826 546 HA HIS 68 HA HIS 68 1.125 -3.397 -7.679 547 1HB HIS 68 2HB HIS 68 2.303 -1.074 -9.133 548 2HB HIS 68 1HB HIS 68 2.355 -2.788 -9.527 549 HD1 HIS 68 HD1 HIS 68 1.680 -0.923 -11.768 550 HD2 HIS 68 HD2 HIS 68 -1.214 -2.518 -9.248 551 HE1 HIS 68 HE1 HIS 68 -0.474 -0.807 -13.060 552 HE2 HIS 68 HE2 HIS 68 -2.209 -1.799 -11.526 553 H LEU 69 H LEU 69 2.988 -3.705 -6.566 554 HA LEU 69 HA LEU 69 3.988 -1.419 -4.997 555 1HB LEU 69 2HB LEU 69 3.094 -2.877 -3.418 556 2HB LEU 69 1HB LEU 69 3.603 -4.304 -4.301 557 HG LEU 69 HG LEU 69 6.003 -3.577 -3.717 558 1HD1 LEU 69 1HD1 LEU 69 5.364 -2.388 -1.247 559 2HD1 LEU 69 2HD1 LEU 69 4.511 -1.474 -2.490 560 3HD1 LEU 69 3HD1 LEU 69 6.259 -1.684 -2.594 561 1HD2 LEU 69 1HD2 LEU 69 5.740 -5.367 -2.432 562 2HD2 LEU 69 2HD2 LEU 69 4.012 -5.054 -2.272 563 3HD2 LEU 69 3HD2 LEU 69 5.150 -4.309 -1.150 564 H VAL 70 H VAL 70 5.955 -0.766 -5.553 565 HA VAL 70 HA VAL 70 7.801 -2.735 -6.739 566 HB VAL 70 HB VAL 70 8.390 0.094 -7.263 567 1HG1 VAL 70 1HG1 VAL 70 8.311 -1.167 -9.655 568 2HG1 VAL 70 2HG1 VAL 70 8.602 -2.528 -8.572 569 3HG1 VAL 70 3HG1 VAL 70 9.712 -1.158 -8.583 570 1HG2 VAL 70 1HG2 VAL 70 6.597 -0.177 -9.234 571 2HG2 VAL 70 2HG2 VAL 70 6.233 0.624 -7.705 572 3HG2 VAL 70 3HG2 VAL 70 5.757 -1.056 -7.957 573 H LEU 71 H LEU 71 9.887 -2.821 -6.015 574 HA LEU 71 HA LEU 71 10.400 -1.527 -3.462 575 1HB LEU 71 2HB LEU 71 11.062 -4.009 -4.589 576 2HB LEU 71 1HB LEU 71 12.580 -3.141 -4.453 577 HG LEU 71 HG LEU 71 11.749 -2.677 -2.001 578 1HD1 LEU 71 1HD1 LEU 71 9.529 -3.819 -2.595 579 2HD1 LEU 71 2HD1 LEU 71 10.302 -4.248 -1.068 580 3HD1 LEU 71 3HD1 LEU 71 10.430 -5.329 -2.456 581 1HD2 LEU 71 1HD2 LEU 71 13.230 -4.267 -1.312 582 2HD2 LEU 71 2HD2 LEU 71 13.657 -4.191 -3.021 583 3HD2 LEU 71 3HD2 LEU 71 12.615 -5.485 -2.429 584 H ARG 72 H ARG 72 11.991 -0.044 -3.070 585 HA ARG 72 HA ARG 72 13.390 1.005 -5.441 586 1HB ARG 72 2HB ARG 72 11.783 2.595 -4.545 587 2HB ARG 72 1HB ARG 72 12.489 2.446 -2.942 588 1HG ARG 72 2HG ARG 72 14.502 3.179 -4.860 589 2HG ARG 72 1HG ARG 72 13.140 4.299 -4.922 590 1HD ARG 72 2HD ARG 72 13.701 3.760 -2.196 591 2HD ARG 72 1HD ARG 72 15.227 4.132 -2.995 592 HE ARG 72 HE ARG 72 13.177 5.995 -3.676 593 1HH1 ARG 72 2HH1 ARG 72 15.492 5.143 -1.219 594 2HH1 ARG 72 1HH1 ARG 72 15.621 6.754 -0.597 595 1HH2 ARG 72 1HH2 ARG 72 13.338 8.122 -2.865 596 2HH2 ARG 72 2HH2 ARG 72 14.395 8.449 -1.532 597 H LEU 73 H LEU 73 15.185 -0.373 -5.180 598 HA LEU 73 HA LEU 73 16.804 0.101 -2.770 599 1HB LEU 73 2HB LEU 73 16.491 -2.210 -4.611 600 2HB LEU 73 1HB LEU 73 18.076 -1.947 -3.911 601 HG LEU 73 HG LEU 73 15.746 -1.961 -2.061 602 1HD1 LEU 73 1HD1 LEU 73 15.530 -4.291 -1.993 603 2HD1 LEU 73 2HD1 LEU 73 16.966 -4.543 -2.985 604 3HD1 LEU 73 3HD1 LEU 73 15.497 -3.890 -3.710 605 1HD2 LEU 73 1HD2 LEU 73 18.324 -3.393 -1.656 606 2HD2 LEU 73 2HD2 LEU 73 17.294 -2.567 -0.486 607 3HD2 LEU 73 3HD2 LEU 73 18.306 -1.632 -1.587 608 H ARG 74 H ARG 74 17.617 2.108 -3.530 609 HA ARG 74 HA ARG 74 19.472 3.253 -4.288 610 1HB ARG 74 2HB ARG 74 20.545 0.931 -4.493 611 2HB ARG 74 1HB ARG 74 20.070 0.991 -6.184 612 1HG ARG 74 2HG ARG 74 21.365 3.427 -5.631 613 2HG ARG 74 1HG ARG 74 22.343 2.151 -4.904 614 1HD ARG 74 2HD ARG 74 22.579 1.025 -6.971 615 2HD ARG 74 1HD ARG 74 21.318 1.997 -7.727 616 HE ARG 74 HE ARG 74 23.480 3.612 -6.833 617 1HH1 ARG 74 2HH1 ARG 74 22.497 1.432 -9.364 618 2HH1 ARG 74 1HH1 ARG 74 23.551 2.128 -10.550 619 1HH2 ARG 74 1HH2 ARG 74 24.872 4.537 -8.386 620 2HH2 ARG 74 2HH2 ARG 74 24.902 3.893 -9.993 621 H GLY 75 H GLY 75 17.177 4.074 -5.132 622 1HA GLY 75 2HA GLY 75 17.673 5.045 -7.774 623 2HA GLY 75 1HA GLY 75 16.376 3.859 -7.759 624 H GLY 76 HN GLY 76 16.608 6.909 -8.152 625 1HA GLY 76 2HA GLY 76 14.179 7.820 -7.691 626 2HA GLY 76 1HA GLY 76 14.796 7.825 -6.045 Start of MODEL 9 1 2H MET 1 2H MET 1 -12.597 -1.201 2.868 2 3H MET 1 3H MET 1 -12.407 -2.837 3.251 3 1H MET 1 1H MET 1 -13.954 -2.205 2.980 4 HA MET 1 HA MET 1 -13.780 -2.890 0.906 5 1HB MET 1 2HB MET 1 -12.891 -1.345 -0.569 6 2HB MET 1 1HB MET 1 -13.040 -0.382 0.893 7 1HG MET 1 2HG MET 1 -10.554 -1.314 1.228 8 2HG MET 1 1HG MET 1 -10.636 -1.314 -0.532 9 1HE MET 1 1HE MET 1 -11.350 2.379 -1.397 10 2HE MET 1 2HE MET 1 -12.706 1.376 -0.885 11 3HE MET 1 3HE MET 1 -11.443 0.694 -1.908 12 H GLN 2 H GLN 2 -12.920 -4.506 -0.280 13 HA GLN 2 HA GLN 2 -10.362 -5.592 0.644 14 1HB GLN 2 2HB GLN 2 -12.759 -6.822 0.255 15 2HB GLN 2 1HB GLN 2 -11.961 -7.153 -1.277 16 1HG GLN 2 2HG GLN 2 -10.195 -8.303 -0.224 17 2HG GLN 2 1HG GLN 2 -10.663 -7.711 1.370 18 1HE2 GLN 2 1HE2 GLN 2 -13.009 -8.799 -0.946 19 2HE2 GLN 2 2HE2 GLN 2 -13.446 -10.255 -0.125 20 H VAL 3 H VAL 3 -8.683 -4.850 -0.459 21 HA VAL 3 HA VAL 3 -8.895 -4.650 -3.393 22 HB VAL 3 HB VAL 3 -7.140 -3.002 -3.367 23 1HG1 VAL 3 1HG1 VAL 3 -8.399 -1.238 -2.656 24 2HG1 VAL 3 2HG1 VAL 3 -8.824 -2.012 -1.129 25 3HG1 VAL 3 3HG1 VAL 3 -9.631 -2.500 -2.620 26 1HG2 VAL 3 1HG2 VAL 3 -6.745 -3.994 -0.638 27 2HG2 VAL 3 2HG2 VAL 3 -6.647 -2.241 -0.797 28 3HG2 VAL 3 3HG2 VAL 3 -5.593 -3.273 -1.764 29 H PHE 4 H PHE 4 -6.721 -4.963 -4.512 30 HA PHE 4 HA PHE 4 -5.265 -7.183 -3.234 31 1HB PHE 4 2HB PHE 4 -5.497 -6.976 -6.213 32 2HB PHE 4 1HB PHE 4 -5.225 -8.399 -5.213 33 HD1 PHE 4 HD1 PHE 4 -7.109 -9.426 -3.981 34 HD2 PHE 4 HD2 PHE 4 -7.688 -6.246 -6.764 35 HE1 PHE 4 HE1 PHE 4 -9.511 -9.970 -4.100 36 HE2 PHE 4 HE2 PHE 4 -10.090 -6.784 -6.885 37 HZ PHE 4 HZ PHE 4 -11.004 -8.648 -5.552 38 H LEU 5 H LEU 5 -3.040 -7.396 -3.739 39 HA LEU 5 HA LEU 5 -1.799 -4.994 -4.907 40 1HB LEU 5 2HB LEU 5 -1.737 -5.400 -2.288 41 2HB LEU 5 1HB LEU 5 -0.416 -6.469 -2.720 42 HG LEU 5 HG LEU 5 0.270 -4.209 -4.081 43 1HD1 LEU 5 1HD1 LEU 5 -0.642 -3.170 -1.431 44 2HD1 LEU 5 2HD1 LEU 5 -1.732 -3.155 -2.818 45 3HD1 LEU 5 3HD1 LEU 5 -0.201 -2.283 -2.891 46 1HD2 LEU 5 1HD2 LEU 5 1.806 -5.490 -2.773 47 2HD2 LEU 5 2HD2 LEU 5 0.975 -5.059 -1.278 48 3HD2 LEU 5 3HD2 LEU 5 1.850 -3.826 -2.187 49 H LYS 6 H LYS 6 -0.130 -5.340 -6.294 50 HA LYS 6 HA LYS 6 0.485 -8.141 -6.908 51 1HB LYS 6 2HB LYS 6 -0.221 -6.027 -8.547 52 2HB LYS 6 1HB LYS 6 1.520 -6.144 -8.768 53 1HG LYS 6 2HG LYS 6 1.333 -7.977 -10.007 54 2HG LYS 6 1HG LYS 6 0.244 -8.743 -8.849 55 1HD LYS 6 2HD LYS 6 -1.205 -8.549 -10.587 56 2HD LYS 6 1HD LYS 6 -1.446 -6.953 -9.873 57 1HE LYS 6 2HE LYS 6 -1.154 -6.648 -12.216 58 2HE LYS 6 1HE LYS 6 0.320 -6.091 -11.424 59 1HZ LYS 6 1HZ LYS 6 -0.110 -8.468 -13.091 60 2HZ LYS 6 2HZ LYS 6 1.079 -8.524 -11.889 61 3HZ LYS 6 3HZ LYS 6 1.166 -7.356 -13.111 62 H THR 7 H THR 7 2.551 -8.923 -6.981 63 HA THR 7 HA THR 7 4.594 -7.231 -5.717 64 HB THR 7 HB THR 7 5.752 -9.300 -5.128 65 HG1 THR 7 HG1 THR 7 5.161 -11.195 -5.936 66 1HG2 THR 7 1HG2 THR 7 4.239 -8.612 -3.460 67 2HG2 THR 7 2HG2 THR 7 3.904 -10.328 -3.691 68 3HG2 THR 7 3HG2 THR 7 2.838 -9.118 -4.405 69 H LEU 8 H LEU 8 6.920 -8.083 -6.382 70 HA LEU 8 HA LEU 8 7.190 -7.452 -9.164 71 1HB LEU 8 2HB LEU 8 9.408 -8.478 -7.422 72 2HB LEU 8 1HB LEU 8 9.506 -7.377 -8.783 73 HG LEU 8 HG LEU 8 8.467 -6.777 -6.019 74 1HD1 LEU 8 1HD1 LEU 8 10.411 -5.727 -5.647 75 2HD1 LEU 8 2HD1 LEU 8 10.483 -5.070 -7.282 76 3HD1 LEU 8 3HD1 LEU 8 11.014 -6.722 -6.972 77 1HD2 LEU 8 1HD2 LEU 8 8.322 -4.404 -7.090 78 2HD2 LEU 8 2HD2 LEU 8 6.988 -5.542 -7.279 79 3HD2 LEU 8 3HD2 LEU 8 8.138 -5.306 -8.595 80 H THR 9 H THR 9 6.616 -10.306 -7.496 81 HA THR 9 HA THR 9 7.962 -11.979 -9.491 82 HB THR 9 HB THR 9 7.611 -13.841 -8.042 83 HG1 THR 9 HG1 THR 9 6.206 -13.802 -6.348 84 1HG2 THR 9 1HG2 THR 9 9.314 -11.994 -7.404 85 2HG2 THR 9 2HG2 THR 9 8.938 -13.249 -6.223 86 3HG2 THR 9 3HG2 THR 9 8.201 -11.654 -6.078 87 H GLY 10 H GLY 10 4.891 -10.710 -8.722 88 1HA GLY 10 2HA GLY 10 3.103 -10.843 -10.303 89 2HA GLY 10 1HA GLY 10 3.692 -12.427 -10.786 90 H LYS 11 H LYS 11 3.406 -11.542 -7.430 91 HA LYS 11 HA LYS 11 1.347 -13.597 -7.112 92 1HB LYS 11 2HB LYS 11 3.077 -14.047 -5.622 93 2HB LYS 11 1HB LYS 11 3.360 -12.347 -5.280 94 1HG LYS 11 2HG LYS 11 1.182 -12.299 -4.070 95 2HG LYS 11 1HG LYS 11 1.082 -14.047 -4.295 96 1HD LYS 11 2HD LYS 11 3.188 -14.324 -3.079 97 2HD LYS 11 1HD LYS 11 3.290 -12.576 -2.856 98 1HE LYS 11 2HE LYS 11 1.991 -12.686 -1.058 99 2HE LYS 11 1HE LYS 11 0.730 -13.508 -1.976 100 1HZ LYS 11 1HZ LYS 11 1.174 -15.323 -0.814 101 2HZ LYS 11 2HZ LYS 11 2.464 -14.567 -0.023 102 3HZ LYS 11 3HZ LYS 11 2.726 -15.376 -1.486 103 H THR 12 H THR 12 -0.692 -13.140 -6.544 104 HA THR 12 HA THR 12 -1.381 -10.323 -6.118 105 HB THR 12 HB THR 12 -3.131 -12.678 -6.849 106 HG1 THR 12 HG1 THR 12 -1.621 -10.998 -8.305 107 1HG2 THR 12 1HG2 THR 12 -3.764 -9.814 -6.225 108 2HG2 THR 12 2HG2 THR 12 -4.576 -11.278 -5.671 109 3HG2 THR 12 3HG2 THR 12 -4.772 -10.737 -7.338 110 H VAL 13 H VAL 13 -1.818 -9.627 -4.144 111 HA VAL 13 HA VAL 13 -2.632 -11.590 -2.104 112 HB VAL 13 HB VAL 13 -1.805 -9.874 -0.451 113 1HG1 VAL 13 1HG1 VAL 13 0.444 -10.698 -2.242 114 2HG1 VAL 13 2HG1 VAL 13 -0.530 -11.917 -1.421 115 3HG1 VAL 13 3HG1 VAL 13 0.353 -10.714 -0.480 116 1HG2 VAL 13 1HG2 VAL 13 -1.879 -8.015 -2.184 117 2HG2 VAL 13 2HG2 VAL 13 -0.354 -8.666 -2.787 118 3HG2 VAL 13 3HG2 VAL 13 -0.464 -8.068 -1.131 119 H THR 14 H THR 14 -4.054 -10.740 -0.380 120 HA THR 14 HA THR 14 -5.956 -8.762 -1.458 121 HB THR 14 HB THR 14 -7.306 -10.316 0.460 122 HG1 THR 14 HG1 THR 14 -6.962 -12.386 -0.929 123 1HG2 THR 14 1HG2 THR 14 -8.857 -10.499 -1.191 124 2HG2 THR 14 2HG2 THR 14 -7.665 -10.953 -2.409 125 3HG2 THR 14 3HG2 THR 14 -7.852 -9.261 -1.946 126 H ILE 15 H ILE 15 -5.326 -6.944 -0.397 127 HA ILE 15 HA ILE 15 -4.991 -7.057 2.514 128 HB ILE 15 HB ILE 15 -4.474 -4.689 0.719 129 1HG1 ILE 15 2HG1 ILE 15 -3.134 -6.846 0.217 130 2HG1 ILE 15 1HG1 ILE 15 -2.240 -5.345 0.448 131 1HG2 ILE 15 1HG2 ILE 15 -3.701 -5.373 3.545 132 2HG2 ILE 15 2HG2 ILE 15 -4.693 -4.026 2.986 133 3HG2 ILE 15 3HG2 ILE 15 -2.966 -4.056 2.629 134 1HD1 ILE 15 1HD1 ILE 15 -2.700 -7.236 2.719 135 2HD1 ILE 15 2HD1 ILE 15 -1.466 -5.988 2.542 136 3HD1 ILE 15 3HD1 ILE 15 -1.372 -7.464 1.580 137 H GLU 16 H GLU 16 -6.417 -6.146 3.893 138 HA GLU 16 HA GLU 16 -8.815 -4.941 2.720 139 1HB GLU 16 2HB GLU 16 -8.438 -5.841 5.574 140 2HB GLU 16 1HB GLU 16 -9.951 -5.508 4.743 141 1HG GLU 16 2HG GLU 16 -10.019 -7.742 4.556 142 2HG GLU 16 1HG GLU 16 -8.986 -7.444 3.159 143 H VAL 17 H VAL 17 -9.306 -2.866 2.971 144 HA VAL 17 HA VAL 17 -8.077 -1.327 5.130 145 HB VAL 17 HB VAL 17 -7.276 0.418 3.749 146 1HG1 VAL 17 1HG1 VAL 17 -6.539 -2.298 2.704 147 2HG1 VAL 17 2HG1 VAL 17 -5.647 -1.263 3.819 148 3HG1 VAL 17 3HG1 VAL 17 -5.760 -0.831 2.113 149 1HG2 VAL 17 1HG2 VAL 17 -8.980 0.665 2.137 150 2HG2 VAL 17 2HG2 VAL 17 -8.740 -0.969 1.518 151 3HG2 VAL 17 3HG2 VAL 17 -7.518 0.272 1.232 152 H GLU 18 H GLU 18 -9.037 0.994 5.090 153 HA GLU 18 HA GLU 18 -11.877 0.845 4.321 154 1HB GLU 18 2HB GLU 18 -10.645 1.642 6.933 155 2HB GLU 18 1HB GLU 18 -12.176 2.352 6.437 156 1HG GLU 18 2HG GLU 18 -12.175 -0.523 6.124 157 2HG GLU 18 1HG GLU 18 -11.807 -0.039 7.780 158 HA PRO 19 HA PRO 19 -11.109 4.519 1.973 159 1HB PRO 19 2HB PRO 19 -13.913 5.119 2.798 160 2HB PRO 19 1HB PRO 19 -13.183 5.149 1.189 161 1HG PRO 19 2HG PRO 19 -14.764 3.135 1.926 162 2HG PRO 19 1HG PRO 19 -13.320 2.846 0.940 163 1HD PRO 19 2HD PRO 19 -13.778 2.307 3.835 164 2HD PRO 19 1HD PRO 19 -12.799 1.408 2.658 165 H SER 20 H SER 20 -9.652 5.384 3.546 166 HA SER 20 HA SER 20 -9.922 7.884 4.380 167 1HB SER 20 2HB SER 20 -10.546 7.518 6.924 168 2HB SER 20 1HB SER 20 -11.802 7.754 5.709 169 HG SER 20 HG SER 20 -10.928 5.324 6.870 170 H ASP 21 H ASP 21 -8.471 4.878 4.730 171 HA ASP 21 HA ASP 21 -6.718 5.420 6.903 172 1HB ASP 21 2HB ASP 21 -6.933 3.344 4.778 173 2HB ASP 21 1HB ASP 21 -5.373 3.534 5.571 174 H THR 22 H THR 22 -4.385 5.708 6.721 175 HA THR 22 HA THR 22 -3.740 7.602 4.593 176 HB THR 22 HB THR 22 -1.699 8.072 5.976 177 HG1 THR 22 HG1 THR 22 -2.335 7.181 8.303 178 1HG2 THR 22 1HG2 THR 22 -4.468 8.422 7.082 179 2HG2 THR 22 2HG2 THR 22 -3.432 9.609 6.288 180 3HG2 THR 22 3HG2 THR 22 -3.061 9.071 7.926 181 H VAL 23 H VAL 23 -2.003 7.377 3.211 182 HA VAL 23 HA VAL 23 -1.385 4.944 2.153 183 HB VAL 23 HB VAL 23 0.322 7.427 2.250 184 1HG1 VAL 23 1HG1 VAL 23 1.056 4.779 1.412 185 2HG1 VAL 23 2HG1 VAL 23 2.031 6.248 1.460 186 3HG1 VAL 23 3HG1 VAL 23 1.060 5.880 0.035 187 1HG2 VAL 23 1HG2 VAL 23 -0.742 8.098 0.373 188 2HG2 VAL 23 2HG2 VAL 23 -2.021 7.046 0.982 189 3HG2 VAL 23 3HG2 VAL 23 -0.905 6.456 -0.250 190 H GLU 24 H GLU 24 0.380 6.633 4.725 191 HA GLU 24 HA GLU 24 2.538 4.932 5.020 192 1HB GLU 24 2HB GLU 24 1.542 7.109 6.389 193 2HB GLU 24 1HB GLU 24 1.418 5.818 7.577 194 1HG GLU 24 2HG GLU 24 3.636 5.685 7.856 195 2HG GLU 24 1HG GLU 24 3.972 5.929 6.143 196 H ASN 25 H ASN 25 -0.633 4.724 6.622 197 HA ASN 25 HA ASN 25 -0.177 2.418 8.106 198 1HB ASN 25 2HB ASN 25 -2.501 3.948 7.217 199 2HB ASN 25 1HB ASN 25 -2.841 2.227 7.377 200 1HD2 ASN 25 1HD2 ASN 25 -3.620 4.660 8.950 201 2HD2 ASN 25 2HD2 ASN 25 -3.230 4.259 10.585 202 H PHE 26 H PHE 26 -1.277 2.793 4.767 203 HA PHE 26 HA PHE 26 -1.878 0.129 4.209 204 1HB PHE 26 2HB PHE 26 -2.374 2.087 2.728 205 2HB PHE 26 1HB PHE 26 -0.672 2.124 2.282 206 HD1 PHE 26 HD1 PHE 26 -2.304 -1.082 2.853 207 HD2 PHE 26 HD2 PHE 26 -1.258 1.839 -0.072 208 HE1 PHE 26 HE1 PHE 26 -2.742 -2.722 1.066 209 HE2 PHE 26 HE2 PHE 26 -1.695 0.204 -1.865 210 HZ PHE 26 HZ PHE 26 -2.439 -2.078 -1.297 211 H LYS 27 H LYS 27 1.194 1.881 3.891 212 HA LYS 27 HA LYS 27 2.696 -0.235 2.822 213 1HB LYS 27 2HB LYS 27 3.368 2.278 4.301 214 2HB LYS 27 1HB LYS 27 4.629 1.085 4.027 215 1HG LYS 27 2HG LYS 27 4.383 1.260 1.660 216 2HG LYS 27 1HG LYS 27 2.944 2.266 1.833 217 1HD LYS 27 2HD LYS 27 4.958 3.545 3.307 218 2HD LYS 27 1HD LYS 27 5.713 3.038 1.794 219 1HE LYS 27 2HE LYS 27 3.209 4.057 1.078 220 2HE LYS 27 1HE LYS 27 3.841 5.174 2.289 221 1HZ LYS 27 1HZ LYS 27 4.845 6.056 0.494 222 2HZ LYS 27 2HZ LYS 27 4.795 4.621 -0.399 223 3HZ LYS 27 3HZ LYS 27 5.993 4.844 0.775 224 H ALA 28 H ALA 28 1.818 0.592 6.112 225 HA ALA 28 HA ALA 28 3.632 -1.158 7.412 226 1HB ALA 28 1HB ALA 28 1.191 0.344 8.211 227 2HB ALA 28 2HB ALA 28 2.824 0.405 8.874 228 3HB ALA 28 3HB ALA 28 1.764 -0.951 9.263 229 H LYS 29 H LYS 29 0.310 -1.508 6.264 230 HA LYS 29 HA LYS 29 -0.150 -4.073 7.360 231 1HB LYS 29 2HB LYS 29 -1.429 -2.418 5.225 232 2HB LYS 29 1HB LYS 29 -1.857 -4.119 5.346 233 1HG LYS 29 2HG LYS 29 -2.479 -3.750 7.713 234 2HG LYS 29 1HG LYS 29 -2.160 -2.028 7.489 235 1HD LYS 29 2HD LYS 29 -4.217 -1.753 6.697 236 2HD LYS 29 1HD LYS 29 -3.856 -2.872 5.380 237 1HE LYS 29 2HE LYS 29 -5.173 -4.427 6.263 238 2HE LYS 29 1HE LYS 29 -4.335 -4.324 7.811 239 1HZ LYS 29 1HZ LYS 29 -6.259 -3.531 8.567 240 2HZ LYS 29 2HZ LYS 29 -6.862 -3.208 7.020 241 3HZ LYS 29 3HZ LYS 29 -5.854 -2.086 7.785 242 H ILE 30 H ILE 30 1.055 -2.981 4.217 243 HA ILE 30 HA ILE 30 1.188 -5.514 2.994 244 HB ILE 30 HB ILE 30 2.862 -3.057 2.455 245 1HG1 ILE 30 2HG1 ILE 30 0.464 -4.044 0.912 246 2HG1 ILE 30 1HG1 ILE 30 0.319 -2.900 2.244 247 1HG2 ILE 30 1HG2 ILE 30 2.457 -4.746 0.178 248 2HG2 ILE 30 2HG2 ILE 30 3.176 -5.677 1.492 249 3HG2 ILE 30 3HG2 ILE 30 3.966 -4.210 0.914 250 1HD1 ILE 30 1HD1 ILE 30 0.371 -1.528 0.397 251 2HD1 ILE 30 2HD1 ILE 30 1.563 -2.524 -0.440 252 3HD1 ILE 30 3HD1 ILE 30 2.054 -1.515 0.922 253 H GLN 31 H GLN 31 3.430 -3.749 5.050 254 HA GLN 31 HA GLN 31 5.718 -5.305 4.647 255 1HB GLN 31 2HB GLN 31 5.527 -3.107 5.908 256 2HB GLN 31 1HB GLN 31 4.943 -4.044 7.275 257 1HG GLN 31 2HG GLN 31 7.138 -5.414 6.877 258 2HG GLN 31 1HG GLN 31 7.660 -3.934 6.072 259 1HE2 GLN 31 1HE2 GLN 31 9.269 -4.021 7.834 260 2HE2 GLN 31 2HE2 GLN 31 8.863 -3.280 9.340 261 H ASP 32 H ASP 32 3.081 -5.668 6.995 262 HA ASP 32 HA ASP 32 4.142 -7.901 8.337 263 1HB ASP 32 2HB ASP 32 1.927 -8.210 9.254 264 2HB ASP 32 1HB ASP 32 2.271 -6.484 9.180 265 H LYS 33 H LYS 33 2.964 -7.607 5.196 266 HA LYS 33 HA LYS 33 2.185 -10.424 5.021 267 1HB LYS 33 2HB LYS 33 1.671 -7.999 3.380 268 2HB LYS 33 1HB LYS 33 1.737 -9.542 2.540 269 1HG LYS 33 2HG LYS 33 0.099 -10.240 4.514 270 2HG LYS 33 1HG LYS 33 -0.255 -8.512 4.471 271 1HD LYS 33 2HD LYS 33 -1.757 -9.181 2.908 272 2HD LYS 33 1HD LYS 33 -0.354 -9.037 1.849 273 1HE LYS 33 2HE LYS 33 -1.508 -11.527 3.080 274 2HE LYS 33 1HE LYS 33 -1.351 -11.132 1.368 275 1HZ LYS 33 1HZ LYS 33 0.985 -11.385 1.483 276 2HZ LYS 33 2HZ LYS 33 0.322 -12.741 2.246 277 3HZ LYS 33 3HZ LYS 33 0.975 -11.486 3.173 278 H GLU 34 H GLU 34 4.202 -8.120 3.177 279 HA GLU 34 HA GLU 34 5.776 -10.384 2.185 280 1HB GLU 34 2HB GLU 34 5.682 -7.495 1.300 281 2HB GLU 34 1HB GLU 34 6.715 -8.727 0.586 282 1HG GLU 34 2HG GLU 34 3.759 -9.130 0.712 283 2HG GLU 34 1HG GLU 34 4.473 -8.124 -0.546 284 H GLY 35 H GLY 35 5.960 -7.622 4.272 285 1HA GLY 35 2HA GLY 35 7.570 -7.096 5.845 286 2HA GLY 35 1HA GLY 35 8.473 -8.513 5.332 287 H ILE 36 H ILE 36 7.584 -5.267 4.166 288 HA ILE 36 HA ILE 36 10.369 -4.903 3.320 289 HB ILE 36 HB ILE 36 7.979 -4.193 1.616 290 1HG1 ILE 36 2HG1 ILE 36 10.147 -6.272 1.244 291 2HG1 ILE 36 1HG1 ILE 36 8.447 -6.590 1.575 292 1HG2 ILE 36 1HG2 ILE 36 9.291 -2.866 0.400 293 2HG2 ILE 36 2HG2 ILE 36 10.594 -4.055 0.369 294 3HG2 ILE 36 3HG2 ILE 36 10.443 -2.946 1.733 295 1HD1 ILE 36 1HD1 ILE 36 9.594 -5.349 -0.912 296 2HD1 ILE 36 2HD1 ILE 36 7.872 -5.536 -0.579 297 3HD1 ILE 36 3HD1 ILE 36 8.897 -6.960 -0.749 298 HA PRO 37 HA PRO 37 9.913 -1.263 5.863 299 1HB PRO 37 2HB PRO 37 12.126 -0.399 4.050 300 2HB PRO 37 1HB PRO 37 12.013 -0.304 5.811 301 1HG PRO 37 2HG PRO 37 13.500 -2.182 4.649 302 2HG PRO 37 1HG PRO 37 12.542 -2.548 6.097 303 1HD PRO 37 2HD PRO 37 12.044 -3.292 3.256 304 2HD PRO 37 1HD PRO 37 11.654 -4.178 4.743 305 HA PRO 38 HA PRO 38 7.180 1.153 3.311 306 1HB PRO 38 2HB PRO 38 7.930 3.241 5.304 307 2HB PRO 38 1HB PRO 38 6.330 2.732 4.758 308 1HG PRO 38 2HG PRO 38 7.257 1.972 7.135 309 2HG PRO 38 1HG PRO 38 6.316 0.857 6.127 310 1HD PRO 38 2HD PRO 38 9.251 0.927 6.647 311 2HD PRO 38 1HD PRO 38 8.180 -0.467 6.395 312 H ASP 39 H ASP 39 10.239 2.511 4.488 313 HA ASP 39 HA ASP 39 10.448 4.641 2.692 314 1HB ASP 39 2HB ASP 39 12.679 3.008 3.923 315 2HB ASP 39 1HB ASP 39 12.856 4.601 3.195 316 H GLN 40 H GLN 40 10.603 1.306 2.114 317 HA GLN 40 HA GLN 40 11.871 1.772 -0.506 318 1HB GLN 40 2HB GLN 40 11.827 -0.797 1.087 319 2HB GLN 40 1HB GLN 40 12.601 -0.562 -0.474 320 1HG GLN 40 2HG GLN 40 14.294 0.748 0.419 321 2HG GLN 40 1HG GLN 40 13.373 1.116 1.877 322 1HE2 GLN 40 1HE2 GLN 40 14.474 -1.797 0.166 323 2HE2 GLN 40 2HE2 GLN 40 15.107 -2.587 1.566 324 H GLN 41 H GLN 41 8.967 1.609 0.720 325 HA GLN 41 HA GLN 41 7.861 -0.350 -1.157 326 1HB GLN 41 2HB GLN 41 6.872 0.949 1.339 327 2HB GLN 41 1HB GLN 41 5.687 0.438 0.145 328 1HG GLN 41 2HG GLN 41 6.961 -1.822 0.231 329 2HG GLN 41 1HG GLN 41 7.566 -1.211 1.771 330 1HE2 GLN 41 1HE2 GLN 41 6.489 -2.123 3.357 331 2HE2 GLN 41 2HE2 GLN 41 4.780 -2.365 3.425 332 H ARG 42 H ARG 42 7.344 0.382 -3.099 333 HA ARG 42 HA ARG 42 6.337 3.141 -3.347 334 1HB ARG 42 2HB ARG 42 8.488 1.944 -4.643 335 2HB ARG 42 1HB ARG 42 7.200 1.914 -5.839 336 1HG ARG 42 2HG ARG 42 7.274 4.127 -6.159 337 2HG ARG 42 1HG ARG 42 7.483 4.469 -4.439 338 1HD ARG 42 2HD ARG 42 9.628 4.892 -4.818 339 2HD ARG 42 1HD ARG 42 9.846 3.209 -5.296 340 HE ARG 42 HE ARG 42 8.808 4.772 -7.433 341 1HH1 ARG 42 2HH1 ARG 42 11.729 4.037 -5.687 342 2HH1 ARG 42 1HH1 ARG 42 12.773 4.408 -7.018 343 1HH2 ARG 42 1HH2 ARG 42 10.173 5.262 -9.194 344 2HH2 ARG 42 2HH2 ARG 42 11.889 5.105 -9.013 345 H LEU 43 H LEU 43 4.213 3.205 -3.627 346 HA LEU 43 HA LEU 43 2.873 0.952 -4.940 347 1HB LEU 43 2HB LEU 43 1.402 3.196 -3.628 348 2HB LEU 43 1HB LEU 43 0.937 1.515 -3.802 349 HG LEU 43 HG LEU 43 2.990 2.623 -1.889 350 1HD1 LEU 43 1HD1 LEU 43 0.511 2.909 -1.408 351 2HD1 LEU 43 2HD1 LEU 43 1.477 2.104 -0.171 352 3HD1 LEU 43 3HD1 LEU 43 0.451 1.154 -1.246 353 1HD2 LEU 43 1HD2 LEU 43 3.248 0.353 -1.074 354 2HD2 LEU 43 2HD2 LEU 43 3.672 0.437 -2.784 355 3HD2 LEU 43 3HD2 LEU 43 2.117 -0.235 -2.293 356 H ILE 44 H ILE 44 2.030 1.132 -6.916 357 HA ILE 44 HA ILE 44 1.754 3.833 -8.066 358 HB ILE 44 HB ILE 44 2.308 1.391 -9.728 359 1HG1 ILE 44 2HG1 ILE 44 4.134 1.568 -8.099 360 2HG1 ILE 44 1HG1 ILE 44 4.690 2.000 -9.714 361 1HG2 ILE 44 1HG2 ILE 44 1.725 4.092 -10.277 362 2HG2 ILE 44 2HG2 ILE 44 2.171 2.822 -11.417 363 3HG2 ILE 44 3HG2 ILE 44 3.419 3.838 -10.696 364 1HD1 ILE 44 1HD1 ILE 44 4.155 3.803 -7.382 365 2HD1 ILE 44 2HD1 ILE 44 4.298 4.412 -9.032 366 3HD1 ILE 44 3HD1 ILE 44 5.655 3.573 -8.281 367 H PHE 45 H PHE 45 -0.353 4.280 -8.140 368 HA PHE 45 HA PHE 45 -2.148 2.270 -9.319 369 1HB PHE 45 2HB PHE 45 -2.358 2.565 -6.769 370 2HB PHE 45 1HB PHE 45 -3.056 4.138 -7.140 371 HD1 PHE 45 HD1 PHE 45 -5.266 3.863 -6.423 372 HD2 PHE 45 HD2 PHE 45 -3.511 0.985 -9.033 373 HE1 PHE 45 HE1 PHE 45 -7.473 2.811 -6.739 374 HE2 PHE 45 HE2 PHE 45 -5.714 -0.072 -9.356 375 HZ PHE 45 HZ PHE 45 -7.699 0.841 -8.208 376 H ALA 46 H ALA 46 -3.392 2.997 -10.933 377 HA ALA 46 HA ALA 46 -4.234 4.383 -12.530 378 1HB ALA 46 1HB ALA 46 -5.698 5.913 -11.748 379 2HB ALA 46 2HB ALA 46 -4.505 6.680 -10.700 380 3HB ALA 46 3HB ALA 46 -5.293 5.187 -10.193 381 H GLY 47 H GLY 47 -1.454 4.306 -12.442 382 1HA GLY 47 2HA GLY 47 0.389 5.411 -13.246 383 2HA GLY 47 1HA GLY 47 -0.751 6.510 -14.008 384 H LYS 48 H LYS 48 -0.782 6.150 -10.564 385 HA LYS 48 HA LYS 48 0.739 8.644 -10.251 386 1HB LYS 48 2HB LYS 48 -2.008 8.028 -9.176 387 2HB LYS 48 1HB LYS 48 -0.982 9.264 -8.462 388 1HG LYS 48 2HG LYS 48 -0.852 10.130 -10.937 389 2HG LYS 48 1HG LYS 48 -2.362 9.230 -11.094 390 1HD LYS 48 2HD LYS 48 -3.300 10.484 -9.209 391 2HD LYS 48 1HD LYS 48 -1.791 11.387 -9.061 392 1HE LYS 48 2HE LYS 48 -2.250 11.911 -11.601 393 2HE LYS 48 1HE LYS 48 -3.915 11.551 -11.145 394 1HZ LYS 48 1HZ LYS 48 -3.119 13.954 -10.974 395 2HZ LYS 48 2HZ LYS 48 -2.283 13.460 -9.590 396 3HZ LYS 48 3HZ LYS 48 -3.967 13.318 -9.655 397 H GLN 49 H GLN 49 2.112 8.674 -8.562 398 HA GLN 49 HA GLN 49 2.444 6.236 -7.050 399 1HB GLN 49 2HB GLN 49 4.026 8.706 -7.512 400 2HB GLN 49 1HB GLN 49 4.316 7.846 -6.006 401 1HG GLN 49 2HG GLN 49 5.209 6.025 -7.054 402 2HG GLN 49 1HG GLN 49 4.298 6.294 -8.538 403 1HE2 GLN 49 1HE2 GLN 49 7.065 7.296 -6.653 404 2HE2 GLN 49 2HE2 GLN 49 7.921 8.050 -7.950 405 H LEU 50 H LEU 50 2.083 5.927 -4.907 406 HA LEU 50 HA LEU 50 0.430 7.918 -3.572 407 1HB LEU 50 2HB LEU 50 1.064 5.031 -3.053 408 2HB LEU 50 1HB LEU 50 0.306 6.020 -1.818 409 HG LEU 50 HG LEU 50 -1.465 6.548 -3.629 410 1HD1 LEU 50 1HD1 LEU 50 -0.536 3.921 -4.743 411 2HD1 LEU 50 2HD1 LEU 50 -0.003 5.462 -5.415 412 3HD1 LEU 50 3HD1 LEU 50 -1.717 5.048 -5.409 413 1HD2 LEU 50 1HD2 LEU 50 -2.817 4.897 -2.769 414 2HD2 LEU 50 2HD2 LEU 50 -1.548 4.982 -1.547 415 3HD2 LEU 50 3HD2 LEU 50 -1.526 3.696 -2.755 416 H GLU 51 H GLU 51 1.078 9.162 -1.925 417 HA GLU 51 HA GLU 51 3.815 8.775 -0.926 418 1HB GLU 51 2HB GLU 51 2.155 11.275 -0.649 419 2HB GLU 51 1HB GLU 51 3.895 11.104 -0.460 420 1HG GLU 51 2HG GLU 51 2.549 10.553 -3.078 421 2HG GLU 51 1HG GLU 51 3.003 12.188 -2.598 422 H ASP 52 H ASP 52 4.223 9.303 1.349 423 HA ASP 52 HA ASP 52 2.374 7.959 3.052 424 1HB ASP 52 2HB ASP 52 4.823 9.563 3.812 425 2HB ASP 52 1HB ASP 52 3.988 8.388 4.824 426 H GLY 53 H GLY 53 2.133 10.960 1.815 427 1HA GLY 53 2HA GLY 53 1.068 12.136 4.296 428 2HA GLY 53 1HA GLY 53 1.572 13.052 2.884 429 H ARG 54 H ARG 54 0.068 10.542 1.548 430 HA ARG 54 HA ARG 54 -2.523 11.939 1.508 431 1HB ARG 54 2HB ARG 54 -0.949 10.478 -0.551 432 2HB ARG 54 1HB ARG 54 -2.701 10.366 -0.644 433 1HG ARG 54 2HG ARG 54 -1.888 12.160 -2.046 434 2HG ARG 54 1HG ARG 54 -2.851 12.807 -0.716 435 1HD ARG 54 2HD ARG 54 -0.086 12.617 0.048 436 2HD ARG 54 1HD ARG 54 -0.245 13.530 -1.452 437 HE ARG 54 HE ARG 54 -2.121 14.364 0.536 438 1HH1 ARG 54 2HH1 ARG 54 1.179 14.673 -0.531 439 2HH1 ARG 54 1HH1 ARG 54 1.402 16.234 0.185 440 1HH2 ARG 54 1HH2 ARG 54 -1.840 16.421 1.484 441 2HH2 ARG 54 2HH2 ARG 54 -0.315 17.228 1.330 442 H THR 55 H THR 55 -4.370 10.366 0.856 443 HA THR 55 HA THR 55 -4.134 7.917 2.479 444 HB THR 55 HB THR 55 -6.552 8.182 3.024 445 HG1 THR 55 HG1 THR 55 -7.391 10.361 2.685 446 1HG2 THR 55 1HG2 THR 55 -6.007 9.270 4.913 447 2HG2 THR 55 2HG2 THR 55 -5.486 10.711 4.041 448 3HG2 THR 55 3HG2 THR 55 -4.384 9.348 4.229 449 H LEU 56 H LEU 56 -6.415 6.640 1.945 450 HA LEU 56 HA LEU 56 -6.023 5.740 -0.749 451 1HB LEU 56 2HB LEU 56 -8.237 4.952 1.139 452 2HB LEU 56 1HB LEU 56 -7.649 4.051 -0.245 453 HG LEU 56 HG LEU 56 -5.945 4.625 2.173 454 1HD1 LEU 56 1HD1 LEU 56 -7.672 2.228 1.583 455 2HD1 LEU 56 2HD1 LEU 56 -7.832 3.347 2.936 456 3HD1 LEU 56 3HD1 LEU 56 -6.427 2.287 2.832 457 1HD2 LEU 56 1HD2 LEU 56 -4.699 2.643 1.275 458 2HD2 LEU 56 2HD2 LEU 56 -4.628 4.090 0.268 459 3HD2 LEU 56 3HD2 LEU 56 -5.698 2.758 -0.174 460 H SER 57 H SER 57 -8.642 7.384 0.994 461 HA SER 57 HA SER 57 -10.438 7.537 -1.163 462 1HB SER 57 2HB SER 57 -11.750 8.841 0.216 463 2HB SER 57 1HB SER 57 -10.710 8.079 1.419 464 HG SER 57 HG SER 57 -10.816 10.326 1.739 465 H ASP 58 H ASP 58 -7.627 9.384 -0.334 466 HA ASP 58 HA ASP 58 -8.157 11.715 -1.829 467 1HB ASP 58 2HB ASP 58 -5.641 10.414 -0.826 468 2HB ASP 58 1HB ASP 58 -5.562 11.837 -1.859 469 H TYR 59 H TYR 59 -6.954 8.561 -2.709 470 HA TYR 59 HA TYR 59 -6.380 9.477 -5.434 471 1HB TYR 59 2HB TYR 59 -5.819 6.814 -4.113 472 2HB TYR 59 1HB TYR 59 -5.340 7.264 -5.745 473 HD1 TYR 59 HD1 TYR 59 -3.764 9.283 -5.997 474 HD2 TYR 59 HD2 TYR 59 -4.414 7.264 -2.300 475 HE1 TYR 59 HE1 TYR 59 -1.658 10.218 -5.124 476 HE2 TYR 59 HE2 TYR 59 -2.311 8.193 -1.416 477 HH TYR 59 HH TYR 59 -0.490 10.613 -3.166 478 H ASN 60 H ASN 60 -9.078 8.901 -4.052 479 HA ASN 60 HA ASN 60 -11.102 8.007 -4.588 480 1HB ASN 60 2HB ASN 60 -10.317 7.642 -7.433 481 2HB ASN 60 1HB ASN 60 -11.760 8.385 -6.749 482 1HD2 ASN 60 1HD2 ASN 60 -10.416 10.163 -4.992 483 2HD2 ASN 60 2HD2 ASN 60 -9.674 11.386 -5.960 484 H ILE 61 H ILE 61 -9.427 6.129 -3.550 485 HA ILE 61 HA ILE 61 -9.317 3.799 -5.244 486 HB ILE 61 HB ILE 61 -8.836 4.023 -2.270 487 1HG1 ILE 61 2HG1 ILE 61 -6.872 4.045 -4.574 488 2HG1 ILE 61 1HG1 ILE 61 -7.316 5.442 -3.599 489 1HG2 ILE 61 1HG2 ILE 61 -9.287 1.747 -3.647 490 2HG2 ILE 61 2HG2 ILE 61 -8.237 1.852 -2.232 491 3HG2 ILE 61 3HG2 ILE 61 -7.543 1.905 -3.852 492 1HD1 ILE 61 1HD1 ILE 61 -5.529 4.933 -2.380 493 2HD1 ILE 61 2HD1 ILE 61 -5.421 3.307 -3.053 494 3HD1 ILE 61 3HD1 ILE 61 -6.515 3.634 -1.709 495 H GLN 62 H GLN 62 -10.843 2.302 -5.485 496 HA GLN 62 HA GLN 62 -13.032 2.207 -3.514 497 1HB GLN 62 2HB GLN 62 -13.208 1.818 -6.507 498 2HB GLN 62 1HB GLN 62 -14.537 1.576 -5.382 499 1HG GLN 62 2HG GLN 62 -13.120 4.201 -5.488 500 2HG GLN 62 1HG GLN 62 -14.346 3.799 -6.689 501 1HE2 GLN 62 1HE2 GLN 62 -13.888 5.383 -3.906 502 2HE2 GLN 62 2HE2 GLN 62 -15.467 5.273 -3.218 503 H LYS 63 H LYS 63 -14.371 0.031 -4.111 504 HA LYS 63 HA LYS 63 -12.704 -2.084 -3.255 505 1HB LYS 63 2HB LYS 63 -15.528 -2.035 -4.317 506 2HB LYS 63 1HB LYS 63 -14.747 -3.506 -3.753 507 1HG LYS 63 2HG LYS 63 -15.660 -2.978 -1.785 508 2HG LYS 63 1HG LYS 63 -14.317 -1.842 -1.653 509 1HD LYS 63 2HD LYS 63 -16.228 -0.568 -1.170 510 2HD LYS 63 1HD LYS 63 -15.832 -0.170 -2.843 511 1HE LYS 63 2HE LYS 63 -17.513 -2.386 -3.008 512 2HE LYS 63 1HE LYS 63 -18.219 -1.376 -1.748 513 1HZ LYS 63 1HZ LYS 63 -17.609 -0.590 -4.543 514 2HZ LYS 63 2HZ LYS 63 -18.070 0.508 -3.342 515 3HZ LYS 63 3HZ LYS 63 -19.135 -0.715 -3.822 516 H GLU 64 H GLU 64 -12.174 -4.040 -4.338 517 HA GLU 64 HA GLU 64 -11.466 -5.335 -6.073 518 1HB GLU 64 2HB GLU 64 -13.054 -3.606 -7.957 519 2HB GLU 64 1HB GLU 64 -12.616 -5.299 -8.138 520 1HG GLU 64 2HG GLU 64 -14.100 -5.177 -5.782 521 2HG GLU 64 1HG GLU 64 -14.940 -4.125 -6.921 522 H SER 65 H SER 65 -10.408 -2.508 -5.376 523 HA SER 65 HA SER 65 -9.068 -1.720 -7.810 524 1HB SER 65 2HB SER 65 -9.092 -0.713 -4.981 525 2HB SER 65 1HB SER 65 -7.842 -0.171 -6.100 526 HG SER 65 HG SER 65 -10.008 0.090 -7.455 527 H THR 66 H THR 66 -6.987 -2.131 -8.385 528 HA THR 66 HA THR 66 -5.441 -3.878 -6.582 529 HB THR 66 HB THR 66 -5.326 -3.822 -9.604 530 HG1 THR 66 HG1 THR 66 -7.284 -4.743 -8.709 531 1HG2 THR 66 1HG2 THR 66 -3.288 -4.696 -9.131 532 2HG2 THR 66 2HG2 THR 66 -4.226 -6.168 -8.878 533 3HG2 THR 66 3HG2 THR 66 -3.754 -5.175 -7.499 534 H ILE 67 H ILE 67 -3.422 -3.285 -6.051 535 HA ILE 67 HA ILE 67 -2.274 -0.947 -7.432 536 HB ILE 67 HB ILE 67 -1.842 -1.657 -4.532 537 1HG1 ILE 67 2HG1 ILE 67 -3.272 0.421 -4.147 538 2HG1 ILE 67 1HG1 ILE 67 -3.777 0.264 -5.827 539 1HG2 ILE 67 1HG2 ILE 67 -0.253 -0.175 -6.105 540 2HG2 ILE 67 2HG2 ILE 67 -0.474 0.135 -4.382 541 3HG2 ILE 67 3HG2 ILE 67 -1.384 1.067 -5.571 542 1HD1 ILE 67 1HD1 ILE 67 -4.935 -1.697 -5.426 543 2HD1 ILE 67 2HD1 ILE 67 -5.256 -0.736 -3.982 544 3HD1 ILE 67 3HD1 ILE 67 -4.057 -2.029 -3.933 545 H HIS 68 H HIS 68 -0.071 -0.933 -7.836 546 HA HIS 68 HA HIS 68 1.231 -3.557 -7.623 547 1HB HIS 68 2HB HIS 68 2.205 -1.300 -9.353 548 2HB HIS 68 1HB HIS 68 2.486 -3.028 -9.535 549 HD1 HIS 68 HD1 HIS 68 0.881 -4.305 -10.986 550 HD2 HIS 68 HD2 HIS 68 -0.455 -0.468 -10.113 551 HE1 HIS 68 HE1 HIS 68 -1.144 -3.950 -12.435 552 HE2 HIS 68 HE2 HIS 68 -1.887 -1.593 -11.949 553 H LEU 69 H LEU 69 3.005 -3.832 -6.416 554 HA LEU 69 HA LEU 69 4.080 -1.486 -5.026 555 1HB LEU 69 2HB LEU 69 3.305 -3.247 -3.575 556 2HB LEU 69 1HB LEU 69 4.266 -4.436 -4.432 557 HG LEU 69 HG LEU 69 6.324 -3.293 -3.646 558 1HD1 LEU 69 1HD1 LEU 69 5.939 -1.123 -3.132 559 2HD1 LEU 69 2HD1 LEU 69 5.699 -1.802 -1.522 560 3HD1 LEU 69 3HD1 LEU 69 4.307 -1.436 -2.540 561 1HD2 LEU 69 1HD2 LEU 69 4.869 -5.127 -2.377 562 2HD2 LEU 69 2HD2 LEU 69 4.791 -3.843 -1.172 563 3HD2 LEU 69 3HD2 LEU 69 6.355 -4.464 -1.701 564 H VAL 70 H VAL 70 6.235 -0.957 -5.051 565 HA VAL 70 HA VAL 70 8.032 -2.589 -6.699 566 HB VAL 70 HB VAL 70 8.388 0.313 -7.039 567 1HG1 VAL 70 1HG1 VAL 70 8.631 -2.178 -8.652 568 2HG1 VAL 70 2HG1 VAL 70 9.814 -0.903 -8.358 569 3HG1 VAL 70 3HG1 VAL 70 8.486 -0.632 -9.488 570 1HG2 VAL 70 1HG2 VAL 70 5.861 -1.040 -7.801 571 2HG2 VAL 70 2HG2 VAL 70 6.582 0.062 -8.973 572 3HG2 VAL 70 3HG2 VAL 70 6.159 0.642 -7.363 573 H LEU 71 H LEU 71 10.304 -2.119 -6.359 574 HA LEU 71 HA LEU 71 10.848 -1.542 -3.585 575 1HB LEU 71 2HB LEU 71 12.165 -2.918 -5.763 576 2HB LEU 71 1HB LEU 71 13.279 -1.849 -4.932 577 HG LEU 71 HG LEU 71 13.270 -4.183 -4.064 578 1HD1 LEU 71 1HD1 LEU 71 13.802 -3.459 -2.001 579 2HD1 LEU 71 2HD1 LEU 71 12.264 -2.624 -1.782 580 3HD1 LEU 71 3HD1 LEU 71 13.554 -1.864 -2.712 581 1HD2 LEU 71 1HD2 LEU 71 11.448 -5.178 -3.118 582 2HD2 LEU 71 2HD2 LEU 71 10.651 -4.214 -4.361 583 3HD2 LEU 71 3HD2 LEU 71 10.689 -3.644 -2.694 584 H ARG 72 H ARG 72 11.418 0.365 -2.793 585 HA ARG 72 HA ARG 72 12.271 2.465 -4.663 586 1HB ARG 72 2HB ARG 72 10.338 3.164 -3.492 587 2HB ARG 72 1HB ARG 72 10.948 2.555 -1.959 588 1HG ARG 72 2HG ARG 72 12.739 4.299 -2.079 589 2HG ARG 72 1HG ARG 72 11.899 4.969 -3.478 590 1HD ARG 72 2HD ARG 72 10.092 4.509 -1.265 591 2HD ARG 72 1HD ARG 72 11.428 5.563 -0.802 592 HE ARG 72 HE ARG 72 9.323 6.142 -2.711 593 1HH1 ARG 72 2HH1 ARG 72 12.428 7.029 -1.409 594 2HH1 ARG 72 1HH1 ARG 72 12.342 8.665 -1.970 595 1HH2 ARG 72 1HH2 ARG 72 9.196 8.296 -3.453 596 2HH2 ARG 72 2HH2 ARG 72 10.502 9.387 -3.130 597 H LEU 73 H LEU 73 14.065 3.767 -4.210 598 HA LEU 73 HA LEU 73 16.025 2.506 -2.430 599 1HB LEU 73 2HB LEU 73 16.430 4.523 -4.638 600 2HB LEU 73 1HB LEU 73 17.705 3.776 -3.695 601 HG LEU 73 HG LEU 73 15.863 1.952 -5.144 602 1HD1 LEU 73 1HD1 LEU 73 18.117 3.102 -6.702 603 2HD1 LEU 73 2HD1 LEU 73 16.606 4.008 -6.617 604 3HD1 LEU 73 3HD1 LEU 73 16.614 2.365 -7.258 605 1HD2 LEU 73 1HD2 LEU 73 18.853 1.875 -5.061 606 2HD2 LEU 73 2HD2 LEU 73 17.705 0.544 -5.208 607 3HD2 LEU 73 3HD2 LEU 73 17.899 1.376 -3.665 608 H ARG 74 H ARG 74 17.494 3.927 -1.221 609 HA ARG 74 HA ARG 74 15.986 6.006 0.120 610 1HB ARG 74 2HB ARG 74 17.979 4.176 0.882 611 2HB ARG 74 1HB ARG 74 18.716 5.766 1.023 612 1HG ARG 74 2HG ARG 74 17.377 6.392 2.736 613 2HG ARG 74 1HG ARG 74 16.004 5.447 2.156 614 1HD ARG 74 2HD ARG 74 17.480 3.404 2.784 615 2HD ARG 74 1HD ARG 74 18.362 4.568 3.774 616 HE ARG 74 HE ARG 74 15.828 3.422 4.350 617 1HH1 ARG 74 2HH1 ARG 74 17.683 6.351 4.670 618 2HH1 ARG 74 1HH1 ARG 74 16.833 6.889 6.080 619 1HH2 ARG 74 1HH2 ARG 74 14.702 4.120 6.206 620 2HH2 ARG 74 2HH2 ARG 74 15.138 5.620 6.954 621 H GLY 75 H GLY 75 18.484 5.757 -2.248 622 1HA GLY 75 2HA GLY 75 18.904 7.679 -3.656 623 2HA GLY 75 1HA GLY 75 18.719 8.696 -2.235 624 H GLY 76 HN GLY 76 20.846 6.558 -3.986 625 1HA GLY 76 2HA GLY 76 23.102 7.698 -2.482 626 2HA GLY 76 1HA GLY 76 22.990 5.954 -2.667 Start of MODEL 10 1 2H MET 1 2H MET 1 -12.307 -2.482 3.239 2 3H MET 1 3H MET 1 -13.953 -2.876 3.249 3 1H MET 1 1H MET 1 -13.457 -1.321 2.800 4 HA MET 1 HA MET 1 -14.017 -3.323 1.095 5 1HB MET 1 2HB MET 1 -13.066 -1.893 -0.608 6 2HB MET 1 1HB MET 1 -13.841 -0.894 0.614 7 1HG MET 1 2HG MET 1 -11.937 0.130 1.140 8 2HG MET 1 1HG MET 1 -11.025 -1.378 1.152 9 1HE MET 1 1HE MET 1 -11.632 1.938 -0.709 10 2HE MET 1 2HE MET 1 -12.943 0.939 -1.335 11 3HE MET 1 3HE MET 1 -11.639 1.455 -2.405 12 H GLN 2 H GLN 2 -12.997 -4.891 -0.037 13 HA GLN 2 HA GLN 2 -10.302 -5.597 0.862 14 1HB GLN 2 2HB GLN 2 -12.665 -7.087 0.227 15 2HB GLN 2 1HB GLN 2 -11.361 -7.607 -0.831 16 1HG GLN 2 2HG GLN 2 -9.950 -8.037 1.113 17 2HG GLN 2 1HG GLN 2 -11.256 -7.514 2.176 18 1HE2 GLN 2 1HE2 GLN 2 -12.721 -8.958 2.806 19 2HE2 GLN 2 2HE2 GLN 2 -12.857 -10.570 2.201 20 H VAL 3 H VAL 3 -8.682 -4.927 -0.346 21 HA VAL 3 HA VAL 3 -9.050 -4.739 -3.263 22 HB VAL 3 HB VAL 3 -7.087 -3.201 -3.227 23 1HG1 VAL 3 1HG1 VAL 3 -9.705 -2.640 -1.988 24 2HG1 VAL 3 2HG1 VAL 3 -8.929 -1.902 -3.388 25 3HG1 VAL 3 3HG1 VAL 3 -8.458 -1.415 -1.760 26 1HG2 VAL 3 1HG2 VAL 3 -5.826 -2.988 -1.412 27 2HG2 VAL 3 2HG2 VAL 3 -6.860 -4.143 -0.573 28 3HG2 VAL 3 3HG2 VAL 3 -7.215 -2.419 -0.487 29 H PHE 4 H PHE 4 -6.875 -4.995 -4.466 30 HA PHE 4 HA PHE 4 -5.392 -7.261 -3.306 31 1HB PHE 4 2HB PHE 4 -5.904 -6.961 -6.258 32 2HB PHE 4 1HB PHE 4 -5.361 -8.388 -5.383 33 HD1 PHE 4 HD1 PHE 4 -6.894 -9.968 -4.599 34 HD2 PHE 4 HD2 PHE 4 -8.272 -6.137 -5.867 35 HE1 PHE 4 HE1 PHE 4 -9.223 -10.759 -4.442 36 HE2 PHE 4 HE2 PHE 4 -10.604 -6.920 -5.711 37 HZ PHE 4 HZ PHE 4 -11.082 -9.233 -4.998 38 H LEU 5 H LEU 5 -3.190 -7.439 -3.854 39 HA LEU 5 HA LEU 5 -2.010 -5.056 -5.120 40 1HB LEU 5 2HB LEU 5 -1.856 -5.389 -2.494 41 2HB LEU 5 1HB LEU 5 -0.543 -6.462 -2.940 42 HG LEU 5 HG LEU 5 0.079 -4.236 -4.389 43 1HD1 LEU 5 1HD1 LEU 5 -0.925 -2.423 -3.603 44 2HD1 LEU 5 2HD1 LEU 5 -0.236 -2.741 -2.011 45 3HD1 LEU 5 3HD1 LEU 5 -1.818 -3.398 -2.436 46 1HD2 LEU 5 1HD2 LEU 5 1.653 -5.497 -3.085 47 2HD2 LEU 5 2HD2 LEU 5 0.895 -4.970 -1.582 48 3HD2 LEU 5 3HD2 LEU 5 1.741 -3.804 -2.599 49 H LYS 6 H LYS 6 -0.433 -5.437 -6.591 50 HA LYS 6 HA LYS 6 0.269 -8.252 -7.059 51 1HB LYS 6 2HB LYS 6 -0.903 -6.845 -8.853 52 2HB LYS 6 1HB LYS 6 0.632 -6.007 -9.030 53 1HG LYS 6 2HG LYS 6 1.722 -7.935 -9.805 54 2HG LYS 6 1HG LYS 6 0.413 -8.988 -9.266 55 1HD LYS 6 2HD LYS 6 0.433 -8.639 -11.717 56 2HD LYS 6 1HD LYS 6 -1.063 -8.097 -10.951 57 1HE LYS 6 2HE LYS 6 -0.276 -5.796 -11.005 58 2HE LYS 6 1HE LYS 6 1.254 -6.319 -11.708 59 1HZ LYS 6 1HZ LYS 6 0.324 -6.088 -13.689 60 2HZ LYS 6 2HZ LYS 6 -1.184 -5.736 -13.008 61 3HZ LYS 6 3HZ LYS 6 -0.752 -7.341 -13.322 62 H THR 7 H THR 7 2.351 -8.918 -7.224 63 HA THR 7 HA THR 7 4.389 -7.022 -6.299 64 HB THR 7 HB THR 7 5.748 -8.976 -5.749 65 HG1 THR 7 HG1 THR 7 5.086 -11.018 -6.235 66 1HG2 THR 7 1HG2 THR 7 3.304 -9.966 -4.541 67 2HG2 THR 7 2HG2 THR 7 3.402 -8.206 -4.478 68 3HG2 THR 7 3HG2 THR 7 4.696 -9.188 -3.789 69 H LEU 8 H LEU 8 6.696 -7.844 -7.146 70 HA LEU 8 HA LEU 8 6.652 -7.313 -9.977 71 1HB LEU 8 2HB LEU 8 9.095 -8.026 -8.383 72 2HB LEU 8 1HB LEU 8 8.983 -7.032 -9.822 73 HG LEU 8 HG LEU 8 7.697 -6.162 -7.253 74 1HD1 LEU 8 1HD1 LEU 8 10.541 -6.398 -7.817 75 2HD1 LEU 8 2HD1 LEU 8 9.708 -6.069 -6.298 76 3HD1 LEU 8 3HD1 LEU 8 10.050 -4.751 -7.419 77 1HD2 LEU 8 1HD2 LEU 8 8.464 -4.918 -9.851 78 2HD2 LEU 8 2HD2 LEU 8 8.436 -3.922 -8.395 79 3HD2 LEU 8 3HD2 LEU 8 6.974 -4.758 -8.919 80 H THR 9 H THR 9 6.427 -10.083 -8.125 81 HA THR 9 HA THR 9 7.762 -11.779 -10.106 82 HB THR 9 HB THR 9 7.125 -13.620 -8.414 83 HG1 THR 9 HG1 THR 9 6.311 -12.994 -6.541 84 1HG2 THR 9 1HG2 THR 9 9.391 -12.374 -8.781 85 2HG2 THR 9 2HG2 THR 9 9.165 -13.380 -7.350 86 3HG2 THR 9 3HG2 THR 9 9.013 -11.628 -7.228 87 H GLY 10 H GLY 10 4.706 -10.572 -9.378 88 1HA GLY 10 2HA GLY 10 2.832 -10.942 -10.779 89 2HA GLY 10 1HA GLY 10 3.489 -12.516 -11.199 90 H LYS 11 H LYS 11 3.410 -11.549 -7.873 91 HA LYS 11 HA LYS 11 1.426 -13.634 -7.356 92 1HB LYS 11 2HB LYS 11 3.243 -14.024 -5.973 93 2HB LYS 11 1HB LYS 11 3.556 -12.311 -5.726 94 1HG LYS 11 2HG LYS 11 1.914 -12.111 -4.104 95 2HG LYS 11 1HG LYS 11 1.073 -13.569 -4.635 96 1HD LYS 11 2HD LYS 11 2.238 -13.943 -2.521 97 2HD LYS 11 1HD LYS 11 2.918 -14.941 -3.808 98 1HE LYS 11 2HE LYS 11 4.880 -13.763 -3.872 99 2HE LYS 11 1HE LYS 11 4.129 -12.272 -3.305 100 1HZ LYS 11 1HZ LYS 11 4.703 -12.757 -1.235 101 2HZ LYS 11 2HZ LYS 11 5.580 -14.083 -1.811 102 3HZ LYS 11 3HZ LYS 11 3.976 -14.283 -1.315 103 H THR 12 H THR 12 -0.576 -13.216 -6.640 104 HA THR 12 HA THR 12 -1.312 -10.408 -6.230 105 HB THR 12 HB THR 12 -3.218 -12.726 -6.536 106 HG1 THR 12 HG1 THR 12 -1.539 -12.011 -8.356 107 1HG2 THR 12 1HG2 THR 12 -4.779 -10.992 -7.248 108 2HG2 THR 12 2HG2 THR 12 -3.526 -9.766 -7.056 109 3HG2 THR 12 3HG2 THR 12 -4.141 -10.627 -5.645 110 H VAL 13 H VAL 13 -1.548 -9.689 -4.224 111 HA VAL 13 HA VAL 13 -2.201 -11.622 -2.100 112 HB VAL 13 HB VAL 13 -1.252 -9.839 -0.553 113 1HG1 VAL 13 1HG1 VAL 13 0.887 -10.809 -2.391 114 2HG1 VAL 13 2HG1 VAL 13 -0.115 -11.983 -1.539 115 3HG1 VAL 13 3HG1 VAL 13 0.833 -10.807 -0.629 116 1HG2 VAL 13 1HG2 VAL 13 0.482 -8.762 -2.613 117 2HG2 VAL 13 2HG2 VAL 13 -0.411 -7.932 -1.340 118 3HG2 VAL 13 3HG2 VAL 13 -1.207 -8.325 -2.863 119 H THR 14 H THR 14 -3.693 -11.022 -0.480 120 HA THR 14 HA THR 14 -5.563 -8.912 -1.332 121 HB THR 14 HB THR 14 -6.775 -10.599 0.611 122 HG1 THR 14 HG1 THR 14 -6.644 -12.592 -0.628 123 1HG2 THR 14 1HG2 THR 14 -7.277 -10.592 -2.359 124 2HG2 THR 14 2HG2 THR 14 -7.791 -9.280 -1.300 125 3HG2 THR 14 3HG2 THR 14 -8.429 -10.907 -1.062 126 H ILE 15 H ILE 15 -5.861 -7.211 -0.057 127 HA ILE 15 HA ILE 15 -5.167 -7.422 2.793 128 HB ILE 15 HB ILE 15 -4.451 -5.067 1.042 129 1HG1 ILE 15 2HG1 ILE 15 -2.636 -7.138 2.297 130 2HG1 ILE 15 1HG1 ILE 15 -3.064 -7.081 0.590 131 1HG2 ILE 15 1HG2 ILE 15 -3.147 -4.392 3.082 132 2HG2 ILE 15 2HG2 ILE 15 -4.003 -5.662 3.958 133 3HG2 ILE 15 3HG2 ILE 15 -4.901 -4.319 3.249 134 1HD1 ILE 15 1HD1 ILE 15 -1.965 -4.585 1.642 135 2HD1 ILE 15 2HD1 ILE 15 -1.597 -5.456 0.154 136 3HD1 ILE 15 3HD1 ILE 15 -0.856 -5.955 1.676 137 H GLU 16 H GLU 16 -6.408 -6.174 4.192 138 HA GLU 16 HA GLU 16 -8.877 -5.133 3.013 139 1HB GLU 16 2HB GLU 16 -9.022 -6.872 4.787 140 2HB GLU 16 1HB GLU 16 -8.262 -5.750 5.907 141 1HG GLU 16 2HG GLU 16 -10.687 -4.812 4.495 142 2HG GLU 16 1HG GLU 16 -10.895 -6.053 5.732 143 H VAL 17 H VAL 17 -9.332 -3.040 2.974 144 HA VAL 17 HA VAL 17 -8.026 -1.228 4.858 145 HB VAL 17 HB VAL 17 -7.218 0.280 3.253 146 1HG1 VAL 17 1HG1 VAL 17 -6.672 -2.487 2.183 147 2HG1 VAL 17 2HG1 VAL 17 -5.793 -1.675 3.480 148 3HG1 VAL 17 3HG1 VAL 17 -5.718 -1.045 1.835 149 1HG2 VAL 17 1HG2 VAL 17 -8.504 0.696 1.481 150 2HG2 VAL 17 2HG2 VAL 17 -9.267 -0.893 1.570 151 3HG2 VAL 17 3HG2 VAL 17 -7.739 -0.695 0.712 152 H GLU 18 H GLU 18 -8.990 1.065 4.557 153 HA GLU 18 HA GLU 18 -11.820 0.891 3.788 154 1HB GLU 18 2HB GLU 18 -10.736 1.994 6.383 155 2HB GLU 18 1HB GLU 18 -12.384 2.242 5.821 156 1HG GLU 18 2HG GLU 18 -12.872 -0.079 5.980 157 2HG GLU 18 1HG GLU 18 -11.179 -0.475 6.267 158 HA PRO 19 HA PRO 19 -11.110 4.647 1.601 159 1HB PRO 19 2HB PRO 19 -13.592 5.814 1.983 160 2HB PRO 19 1HB PRO 19 -13.218 4.621 0.736 161 1HG PRO 19 2HG PRO 19 -14.512 4.239 3.403 162 2HG PRO 19 1HG PRO 19 -14.898 3.478 1.848 163 1HD PRO 19 2HD PRO 19 -13.529 2.171 3.749 164 2HD PRO 19 1HD PRO 19 -13.159 1.952 2.025 165 H SER 20 H SER 20 -9.582 5.429 3.158 166 HA SER 20 HA SER 20 -9.765 7.933 4.029 167 1HB SER 20 2HB SER 20 -10.315 7.573 6.572 168 2HB SER 20 1HB SER 20 -11.621 7.785 5.406 169 HG SER 20 HG SER 20 -11.810 5.964 6.921 170 H ASP 21 H ASP 21 -8.391 4.872 4.306 171 HA ASP 21 HA ASP 21 -6.543 5.323 6.407 172 1HB ASP 21 2HB ASP 21 -6.880 3.320 4.234 173 2HB ASP 21 1HB ASP 21 -5.277 3.465 4.947 174 H THR 22 H THR 22 -4.223 5.619 6.178 175 HA THR 22 HA THR 22 -3.608 7.473 3.992 176 HB THR 22 HB THR 22 -1.886 8.391 5.347 177 HG1 THR 22 HG1 THR 22 -1.675 7.281 7.562 178 1HG2 THR 22 1HG2 THR 22 -3.914 9.301 6.075 179 2HG2 THR 22 2HG2 THR 22 -3.130 8.784 7.568 180 3HG2 THR 22 3HG2 THR 22 -4.411 7.801 6.859 181 H VAL 23 H VAL 23 -1.582 7.356 2.900 182 HA VAL 23 HA VAL 23 -0.888 4.901 1.880 183 HB VAL 23 HB VAL 23 0.781 7.401 2.123 184 1HG1 VAL 23 1HG1 VAL 23 1.750 5.872 -0.003 185 2HG1 VAL 23 2HG1 VAL 23 1.599 4.750 1.350 186 3HG1 VAL 23 3HG1 VAL 23 2.564 6.216 1.523 187 1HG2 VAL 23 1HG2 VAL 23 -0.770 8.018 0.605 188 2HG2 VAL 23 2HG2 VAL 23 -1.200 6.355 0.209 189 3HG2 VAL 23 3HG2 VAL 23 0.239 7.086 -0.500 190 H GLU 24 H GLU 24 0.650 6.638 4.567 191 HA GLU 24 HA GLU 24 2.761 4.917 5.070 192 1HB GLU 24 2HB GLU 24 1.278 6.947 6.579 193 2HB GLU 24 1HB GLU 24 1.999 5.705 7.595 194 1HG GLU 24 2HG GLU 24 4.067 6.278 5.948 195 2HG GLU 24 1HG GLU 24 3.261 7.845 6.035 196 H ASN 25 H ASN 25 -0.519 4.815 6.449 197 HA ASN 25 HA ASN 25 -0.173 2.533 8.024 198 1HB ASN 25 2HB ASN 25 -2.483 4.022 6.917 199 2HB ASN 25 1HB ASN 25 -2.795 2.355 7.396 200 1HD2 ASN 25 1HD2 ASN 25 -3.756 4.852 8.553 201 2HD2 ASN 25 2HD2 ASN 25 -3.268 4.830 10.210 202 H PHE 26 H PHE 26 -1.225 2.866 4.658 203 HA PHE 26 HA PHE 26 -1.908 0.229 4.135 204 1HB PHE 26 2HB PHE 26 -2.039 2.369 2.636 205 2HB PHE 26 1HB PHE 26 -0.450 1.853 2.078 206 HD1 PHE 26 HD1 PHE 26 -0.799 -1.089 2.090 207 HD2 PHE 26 HD2 PHE 26 -3.409 2.021 0.786 208 HE1 PHE 26 HE1 PHE 26 -1.861 -2.651 0.505 209 HE2 PHE 26 HE2 PHE 26 -4.477 0.464 -0.800 210 HZ PHE 26 HZ PHE 26 -3.703 -1.874 -0.941 211 H LYS 27 H LYS 27 1.249 1.793 3.571 212 HA LYS 27 HA LYS 27 2.613 -0.523 2.786 213 1HB LYS 27 2HB LYS 27 3.731 1.919 4.175 214 2HB LYS 27 1HB LYS 27 4.664 0.727 3.280 215 1HG LYS 27 2HG LYS 27 3.940 1.484 1.242 216 2HG LYS 27 1HG LYS 27 2.439 2.140 1.899 217 1HD LYS 27 2HD LYS 27 3.365 4.138 2.293 218 2HD LYS 27 1HD LYS 27 4.812 3.417 3.001 219 1HE LYS 27 2HE LYS 27 5.081 2.820 0.336 220 2HE LYS 27 1HE LYS 27 4.340 4.419 0.299 221 1HZ LYS 27 1HZ LYS 27 6.201 4.830 2.126 222 2HZ LYS 27 2HZ LYS 27 6.487 5.046 0.473 223 3HZ LYS 27 3HZ LYS 27 6.977 3.618 1.237 224 H ALA 28 H ALA 28 1.731 0.673 5.923 225 HA ALA 28 HA ALA 28 3.581 -0.794 7.476 226 1HB ALA 28 1HB ALA 28 1.608 1.069 7.986 227 2HB ALA 28 2HB ALA 28 2.600 0.246 9.189 228 3HB ALA 28 3HB ALA 28 1.011 -0.394 8.769 229 H LYS 29 H LYS 29 0.326 -1.520 6.298 230 HA LYS 29 HA LYS 29 0.118 -4.026 7.638 231 1HB LYS 29 2HB LYS 29 -1.386 -2.923 5.258 232 2HB LYS 29 1HB LYS 29 -1.812 -4.402 6.109 233 1HG LYS 29 2HG LYS 29 -2.588 -3.285 7.953 234 2HG LYS 29 1HG LYS 29 -1.574 -1.870 7.657 235 1HD LYS 29 2HD LYS 29 -2.974 -1.195 5.812 236 2HD LYS 29 1HD LYS 29 -3.933 -2.670 5.956 237 1HE LYS 29 2HE LYS 29 -3.671 -0.797 8.276 238 2HE LYS 29 1HE LYS 29 -4.826 -0.462 6.985 239 1HZ LYS 29 1HZ LYS 29 -6.212 -1.815 8.034 240 2HZ LYS 29 2HZ LYS 29 -5.020 -2.319 9.124 241 3HZ LYS 29 3HZ LYS 29 -5.195 -3.110 7.640 242 H ILE 30 H ILE 30 1.112 -3.025 4.402 243 HA ILE 30 HA ILE 30 1.320 -5.561 3.234 244 HB ILE 30 HB ILE 30 3.040 -3.151 2.646 245 1HG1 ILE 30 2HG1 ILE 30 0.289 -3.950 1.705 246 2HG1 ILE 30 1HG1 ILE 30 0.796 -2.423 2.421 247 1HG2 ILE 30 1HG2 ILE 30 2.259 -5.298 0.707 248 2HG2 ILE 30 2HG2 ILE 30 3.676 -5.470 1.744 249 3HG2 ILE 30 3HG2 ILE 30 3.576 -4.130 0.601 250 1HD1 ILE 30 1HD1 ILE 30 2.134 -1.968 0.397 251 2HD1 ILE 30 2HD1 ILE 30 0.405 -2.111 0.082 252 3HD1 ILE 30 3HD1 ILE 30 1.488 -3.445 -0.319 253 H GLN 31 H GLN 31 3.578 -3.714 5.207 254 HA GLN 31 HA GLN 31 5.827 -5.375 4.831 255 1HB GLN 31 2HB GLN 31 6.130 -3.167 5.718 256 2HB GLN 31 1HB GLN 31 5.068 -3.507 7.077 257 1HG GLN 31 2HG GLN 31 7.027 -5.450 7.258 258 2HG GLN 31 1HG GLN 31 7.901 -4.000 6.765 259 1HE2 GLN 31 1HE2 GLN 31 8.899 -4.183 8.873 260 2HE2 GLN 31 2HE2 GLN 31 8.091 -3.526 10.253 261 H ASP 32 H ASP 32 3.121 -5.495 7.073 262 HA ASP 32 HA ASP 32 4.186 -7.457 8.803 263 1HB ASP 32 2HB ASP 32 2.080 -5.900 9.040 264 2HB ASP 32 1HB ASP 32 1.243 -7.257 8.292 265 H LYS 33 H LYS 33 3.201 -7.653 5.594 266 HA LYS 33 HA LYS 33 2.561 -10.510 5.802 267 1HB LYS 33 2HB LYS 33 2.002 -8.415 3.734 268 2HB LYS 33 1HB LYS 33 1.991 -10.116 3.287 269 1HG LYS 33 2HG LYS 33 0.287 -10.535 5.011 270 2HG LYS 33 1HG LYS 33 0.271 -8.811 5.386 271 1HD LYS 33 2HD LYS 33 -1.243 -8.512 3.786 272 2HD LYS 33 1HD LYS 33 -0.050 -9.033 2.595 273 1HE LYS 33 2HE LYS 33 -0.845 -11.423 3.561 274 2HE LYS 33 1HE LYS 33 -2.329 -10.493 3.768 275 1HZ LYS 33 1HZ LYS 33 -1.995 -9.811 1.364 276 2HZ LYS 33 2HZ LYS 33 -2.468 -11.410 1.640 277 3HZ LYS 33 3HZ LYS 33 -0.857 -11.059 1.266 278 H GLU 34 H GLU 34 4.560 -8.280 3.863 279 HA GLU 34 HA GLU 34 6.211 -10.556 3.034 280 1HB GLU 34 2HB GLU 34 5.877 -7.758 1.983 281 2HB GLU 34 1HB GLU 34 7.251 -8.750 1.515 282 1HG GLU 34 2HG GLU 34 5.138 -10.435 1.092 283 2HG GLU 34 1HG GLU 34 4.472 -8.863 0.651 284 H GLY 35 H GLY 35 6.265 -7.706 5.008 285 1HA GLY 35 2HA GLY 35 7.799 -7.158 6.663 286 2HA GLY 35 1HA GLY 35 8.799 -8.503 6.136 287 H ILE 36 H ILE 36 7.646 -5.960 4.007 288 HA ILE 36 HA ILE 36 10.433 -5.217 3.498 289 HB ILE 36 HB ILE 36 7.968 -4.529 1.895 290 1HG1 ILE 36 2HG1 ILE 36 10.100 -6.558 1.219 291 2HG1 ILE 36 1HG1 ILE 36 8.590 -6.987 2.018 292 1HG2 ILE 36 1HG2 ILE 36 9.486 -3.797 0.181 293 2HG2 ILE 36 2HG2 ILE 36 10.877 -4.302 1.142 294 3HG2 ILE 36 3HG2 ILE 36 9.873 -2.956 1.682 295 1HD1 ILE 36 1HD1 ILE 36 7.531 -7.056 0.081 296 2HD1 ILE 36 2HD1 ILE 36 9.080 -6.797 -0.722 297 3HD1 ILE 36 3HD1 ILE 36 8.054 -5.420 -0.319 298 HA PRO 37 HA PRO 37 9.954 -1.519 5.932 299 1HB PRO 37 2HB PRO 37 12.137 -0.584 4.141 300 2HB PRO 37 1HB PRO 37 12.056 -0.596 5.906 301 1HG PRO 37 2HG PRO 37 13.556 -2.367 4.595 302 2HG PRO 37 1HG PRO 37 12.653 -2.832 6.049 303 1HD PRO 37 2HD PRO 37 12.048 -3.395 3.179 304 2HD PRO 37 1HD PRO 37 11.801 -4.419 4.608 305 HA PRO 38 HA PRO 38 7.245 0.869 3.340 306 1HB PRO 38 2HB PRO 38 7.935 3.011 5.288 307 2HB PRO 38 1HB PRO 38 6.349 2.426 4.772 308 1HG PRO 38 2HG PRO 38 7.332 1.775 7.163 309 2HG PRO 38 1HG PRO 38 6.412 0.602 6.203 310 1HD PRO 38 2HD PRO 38 9.357 0.789 6.658 311 2HD PRO 38 1HD PRO 38 8.327 -0.649 6.505 312 H ASP 39 H ASP 39 10.287 2.266 4.522 313 HA ASP 39 HA ASP 39 10.496 4.394 2.739 314 1HB ASP 39 2HB ASP 39 13.033 4.034 3.092 315 2HB ASP 39 1HB ASP 39 12.042 4.407 4.499 316 H GLN 40 H GLN 40 10.681 1.047 2.149 317 HA GLN 40 HA GLN 40 11.892 1.530 -0.494 318 1HB GLN 40 2HB GLN 40 12.041 -0.788 1.388 319 2HB GLN 40 1HB GLN 40 12.176 -1.084 -0.340 320 1HG GLN 40 2HG GLN 40 14.019 0.629 -0.371 321 2HG GLN 40 1HG GLN 40 13.967 0.593 1.391 322 1HE2 GLN 40 1HE2 GLN 40 14.896 -1.069 2.465 323 2HE2 GLN 40 2HE2 GLN 40 15.750 -2.362 1.700 324 H GLN 41 H GLN 41 8.992 1.421 0.756 325 HA GLN 41 HA GLN 41 7.829 -0.483 -1.144 326 1HB GLN 41 2HB GLN 41 6.871 0.812 1.371 327 2HB GLN 41 1HB GLN 41 5.681 0.301 0.181 328 1HG GLN 41 2HG GLN 41 6.862 -1.966 0.252 329 2HG GLN 41 1HG GLN 41 7.622 -1.372 1.728 330 1HE2 GLN 41 1HE2 GLN 41 6.647 -2.062 3.475 331 2HE2 GLN 41 2HE2 GLN 41 4.950 -2.320 3.670 332 H ARG 42 H ARG 42 7.303 0.287 -3.066 333 HA ARG 42 HA ARG 42 6.377 3.076 -3.269 334 1HB ARG 42 2HB ARG 42 8.489 2.526 -4.485 335 2HB ARG 42 1HB ARG 42 7.583 1.373 -5.456 336 1HG ARG 42 2HG ARG 42 6.153 3.225 -6.251 337 2HG ARG 42 1HG ARG 42 7.169 4.354 -5.351 338 1HD ARG 42 2HD ARG 42 9.050 3.020 -6.748 339 2HD ARG 42 1HD ARG 42 7.695 2.919 -7.873 340 HE ARG 42 HE ARG 42 8.229 5.559 -6.816 341 1HH1 ARG 42 2HH1 ARG 42 8.815 3.268 -9.373 342 2HH1 ARG 42 1HH1 ARG 42 9.277 4.475 -10.525 343 1HH2 ARG 42 1HH2 ARG 42 8.836 7.157 -8.326 344 2HH2 ARG 42 2HH2 ARG 42 9.290 6.687 -9.930 345 H LEU 43 H LEU 43 4.245 3.194 -3.438 346 HA LEU 43 HA LEU 43 2.798 1.028 -4.790 347 1HB LEU 43 2HB LEU 43 1.718 3.230 -3.031 348 2HB LEU 43 1HB LEU 43 0.806 1.876 -3.672 349 HG LEU 43 HG LEU 43 2.924 1.843 -1.538 350 1HD1 LEU 43 1HD1 LEU 43 0.910 2.200 -0.498 351 2HD1 LEU 43 2HD1 LEU 43 0.976 0.437 -0.506 352 3HD1 LEU 43 3HD1 LEU 43 0.000 1.288 -1.703 353 1HD2 LEU 43 1HD2 LEU 43 3.571 -0.014 -2.781 354 2HD2 LEU 43 2HD2 LEU 43 1.915 -0.402 -3.247 355 3HD2 LEU 43 3HD2 LEU 43 2.455 -0.688 -1.593 356 H ILE 44 H ILE 44 2.056 1.333 -6.772 357 HA ILE 44 HA ILE 44 1.656 4.097 -7.717 358 HB ILE 44 HB ILE 44 2.259 1.786 -9.541 359 1HG1 ILE 44 2HG1 ILE 44 4.049 2.158 -7.739 360 2HG1 ILE 44 1HG1 ILE 44 4.579 2.186 -9.418 361 1HG2 ILE 44 1HG2 ILE 44 1.388 3.650 -10.697 362 2HG2 ILE 44 2HG2 ILE 44 3.134 3.697 -10.949 363 3HG2 ILE 44 3HG2 ILE 44 2.382 4.779 -9.776 364 1HD1 ILE 44 1HD1 ILE 44 4.182 4.510 -7.564 365 2HD1 ILE 44 2HD1 ILE 44 4.384 4.695 -9.306 366 3HD1 ILE 44 3HD1 ILE 44 5.669 3.969 -8.342 367 H PHE 45 H PHE 45 -0.392 4.592 -8.110 368 HA PHE 45 HA PHE 45 -2.221 2.441 -8.952 369 1HB PHE 45 2HB PHE 45 -2.579 3.331 -6.604 370 2HB PHE 45 1HB PHE 45 -3.031 4.864 -7.343 371 HD1 PHE 45 HD1 PHE 45 -4.993 3.834 -5.659 372 HD2 PHE 45 HD2 PHE 45 -4.130 2.659 -9.667 373 HE1 PHE 45 HE1 PHE 45 -7.309 3.026 -5.917 374 HE2 PHE 45 HE2 PHE 45 -6.444 1.849 -9.932 375 HZ PHE 45 HZ PHE 45 -8.035 2.033 -8.055 376 H ALA 46 H ALA 46 -2.142 2.833 -11.134 377 HA ALA 46 HA ALA 46 -2.730 3.791 -13.114 378 1HB ALA 46 1HB ALA 46 -4.243 6.058 -12.305 379 2HB ALA 46 2HB ALA 46 -4.649 4.709 -11.243 380 3HB ALA 46 3HB ALA 46 -4.814 4.537 -12.991 381 H GLY 47 H GLY 47 -0.273 4.515 -12.024 382 1HA GLY 47 2HA GLY 47 1.397 5.978 -12.715 383 2HA GLY 47 1HA GLY 47 0.160 7.021 -13.403 384 H LYS 48 H LYS 48 -0.961 6.456 -10.424 385 HA LYS 48 HA LYS 48 0.166 8.953 -9.409 386 1HB LYS 48 2HB LYS 48 -2.059 7.358 -8.153 387 2HB LYS 48 1HB LYS 48 -1.696 9.066 -7.948 388 1HG LYS 48 2HG LYS 48 -2.165 8.590 -10.707 389 2HG LYS 48 1HG LYS 48 -3.469 7.843 -9.782 390 1HD LYS 48 2HD LYS 48 -4.297 9.969 -10.004 391 2HD LYS 48 1HD LYS 48 -3.410 10.137 -8.488 392 1HE LYS 48 2HE LYS 48 -1.436 10.879 -9.929 393 2HE LYS 48 1HE LYS 48 -2.606 11.040 -11.238 394 1HZ LYS 48 1HZ LYS 48 -2.009 12.955 -9.418 395 2HZ LYS 48 2HZ LYS 48 -3.446 12.310 -8.802 396 3HZ LYS 48 3HZ LYS 48 -3.402 12.921 -10.378 397 H GLN 49 H GLN 49 2.117 8.505 -8.508 398 HA GLN 49 HA GLN 49 2.655 6.180 -6.963 399 1HB GLN 49 2HB GLN 49 4.508 7.218 -8.021 400 2HB GLN 49 1HB GLN 49 4.117 8.788 -7.333 401 1HG GLN 49 2HG GLN 49 4.686 7.953 -5.108 402 2HG GLN 49 1HG GLN 49 5.091 6.385 -5.806 403 1HE2 GLN 49 1HE2 GLN 49 7.012 7.462 -4.394 404 2HE2 GLN 49 2HE2 GLN 49 8.253 8.143 -5.384 405 H LEU 50 H LEU 50 1.192 5.991 -5.294 406 HA LEU 50 HA LEU 50 0.185 7.869 -3.601 407 1HB LEU 50 2HB LEU 50 1.153 5.245 -2.515 408 2HB LEU 50 1HB LEU 50 -0.278 6.153 -2.067 409 HG LEU 50 HG LEU 50 0.161 4.512 -4.554 410 1HD1 LEU 50 1HD1 LEU 50 -2.290 4.190 -3.022 411 2HD1 LEU 50 2HD1 LEU 50 -0.838 3.849 -2.080 412 3HD1 LEU 50 3HD1 LEU 50 -1.137 2.980 -3.585 413 1HD2 LEU 50 1HD2 LEU 50 -2.348 6.051 -4.040 414 2HD2 LEU 50 2HD2 LEU 50 -1.733 5.378 -5.550 415 3HD2 LEU 50 3HD2 LEU 50 -0.989 6.821 -4.860 416 H GLU 51 H GLU 51 0.964 9.247 -2.146 417 HA GLU 51 HA GLU 51 3.762 8.941 -1.300 418 1HB GLU 51 2HB GLU 51 2.085 11.427 -1.007 419 2HB GLU 51 1HB GLU 51 3.837 11.287 -0.965 420 1HG GLU 51 2HG GLU 51 3.611 10.483 -3.400 421 2HG GLU 51 1HG GLU 51 1.995 11.185 -3.317 422 H ASP 52 H ASP 52 4.341 8.971 0.855 423 HA ASP 52 HA ASP 52 2.453 7.991 2.715 424 1HB ASP 52 2HB ASP 52 5.097 9.229 3.460 425 2HB ASP 52 1HB ASP 52 4.231 7.931 4.276 426 H GLY 53 H GLY 53 1.085 10.059 2.003 427 1HA GLY 53 2HA GLY 53 1.011 11.723 4.370 428 2HA GLY 53 1HA GLY 53 1.388 12.584 2.887 429 H ARG 54 H ARG 54 -0.401 10.714 1.331 430 HA ARG 54 HA ARG 54 -2.890 12.104 1.990 431 1HB ARG 54 2HB ARG 54 -2.329 10.501 -0.501 432 2HB ARG 54 1HB ARG 54 -3.574 11.719 -0.254 433 1HG ARG 54 2HG ARG 54 -1.211 13.071 0.242 434 2HG ARG 54 1HG ARG 54 -0.833 12.020 -1.126 435 1HD ARG 54 2HD ARG 54 -2.133 13.184 -2.530 436 2HD ARG 54 1HD ARG 54 -3.426 13.348 -1.343 437 HE ARG 54 HE ARG 54 -1.298 15.227 -1.875 438 1HH1 ARG 54 2HH1 ARG 54 -3.741 14.169 0.370 439 2HH1 ARG 54 1HH1 ARG 54 -3.838 15.694 1.184 440 1HH2 ARG 54 1HH2 ARG 54 -1.416 17.241 -0.809 441 2HH2 ARG 54 2HH2 ARG 54 -2.518 17.442 0.513 442 H THR 55 H THR 55 -4.859 10.649 1.090 443 HA THR 55 HA THR 55 -4.629 8.035 2.437 444 HB THR 55 HB THR 55 -6.798 8.242 3.353 445 HG1 THR 55 HG1 THR 55 -7.229 10.740 2.099 446 1HG2 THR 55 1HG2 THR 55 -4.902 10.415 3.750 447 2HG2 THR 55 2HG2 THR 55 -5.819 9.487 4.935 448 3HG2 THR 55 3HG2 THR 55 -6.558 10.879 4.146 449 H LEU 56 H LEU 56 -6.310 6.456 1.738 450 HA LEU 56 HA LEU 56 -6.206 6.000 -1.003 451 1HB LEU 56 2HB LEU 56 -8.382 4.956 0.798 452 2HB LEU 56 1HB LEU 56 -7.729 4.204 -0.646 453 HG LEU 56 HG LEU 56 -6.202 4.592 1.929 454 1HD1 LEU 56 1HD1 LEU 56 -7.744 2.965 2.482 455 2HD1 LEU 56 2HD1 LEU 56 -6.400 2.006 1.862 456 3HD1 LEU 56 3HD1 LEU 56 -7.804 2.317 0.843 457 1HD2 LEU 56 1HD2 LEU 56 -5.330 2.650 -0.103 458 2HD2 LEU 56 2HD2 LEU 56 -4.383 3.724 0.927 459 3HD2 LEU 56 3HD2 LEU 56 -5.145 4.350 -0.536 460 H SER 57 H SER 57 -8.788 7.431 0.953 461 HA SER 57 HA SER 57 -10.732 7.692 -1.020 462 1HB SER 57 2HB SER 57 -11.766 9.335 0.391 463 2HB SER 57 1HB SER 57 -11.017 8.138 1.448 464 HG SER 57 HG SER 57 -10.303 9.981 2.291 465 H ASP 58 H ASP 58 -7.882 9.606 -0.375 466 HA ASP 58 HA ASP 58 -8.560 11.848 -1.962 467 1HB ASP 58 2HB ASP 58 -5.886 10.742 -1.091 468 2HB ASP 58 1HB ASP 58 -6.074 12.267 -1.951 469 H TYR 59 H TYR 59 -7.241 8.710 -2.703 470 HA TYR 59 HA TYR 59 -6.690 9.524 -5.464 471 1HB TYR 59 2HB TYR 59 -6.078 6.907 -4.074 472 2HB TYR 59 1HB TYR 59 -5.555 7.369 -5.689 473 HD1 TYR 59 HD1 TYR 59 -4.112 9.550 -5.836 474 HD2 TYR 59 HD2 TYR 59 -4.671 7.284 -2.269 475 HE1 TYR 59 HE1 TYR 59 -2.064 10.544 -4.891 476 HE2 TYR 59 HE2 TYR 59 -2.626 8.272 -1.313 477 HH TYR 59 HH TYR 59 -0.998 10.934 -2.802 478 H ASN 60 H ASN 60 -9.363 8.844 -3.994 479 HA ASN 60 HA ASN 60 -11.364 7.901 -4.525 480 1HB ASN 60 2HB ASN 60 -10.685 9.167 -6.692 481 2HB ASN 60 1HB ASN 60 -10.396 7.557 -7.348 482 1HD2 ASN 60 1HD2 ASN 60 -12.871 9.289 -5.484 483 2HD2 ASN 60 2HD2 ASN 60 -14.218 8.634 -6.344 484 H ILE 61 H ILE 61 -9.531 6.127 -3.458 485 HA ILE 61 HA ILE 61 -9.328 3.740 -5.018 486 HB ILE 61 HB ILE 61 -8.984 4.146 -2.045 487 1HG1 ILE 61 2HG1 ILE 61 -7.139 4.315 -4.402 488 2HG1 ILE 61 1HG1 ILE 61 -7.280 5.399 -3.020 489 1HG2 ILE 61 1HG2 ILE 61 -7.796 2.002 -2.086 490 2HG2 ILE 61 2HG2 ILE 61 -8.215 1.810 -3.789 491 3HG2 ILE 61 3HG2 ILE 61 -9.485 1.826 -2.565 492 1HD1 ILE 61 1HD1 ILE 61 -6.436 3.252 -1.727 493 2HD1 ILE 61 2HD1 ILE 61 -5.325 4.384 -2.498 494 3HD1 ILE 61 3HD1 ILE 61 -5.757 2.880 -3.311 495 H GLN 62 H GLN 62 -11.011 2.500 -5.513 496 HA GLN 62 HA GLN 62 -13.198 2.247 -3.558 497 1HB GLN 62 2HB GLN 62 -13.463 1.542 -6.463 498 2HB GLN 62 1HB GLN 62 -14.723 1.963 -5.312 499 1HG GLN 62 2HG GLN 62 -14.636 4.078 -5.936 500 2HG GLN 62 1HG GLN 62 -12.917 4.155 -5.553 501 1HE2 GLN 62 1HE2 GLN 62 -11.605 4.592 -7.168 502 2HE2 GLN 62 2HE2 GLN 62 -11.947 4.375 -8.848 503 H LYS 63 H LYS 63 -14.435 0.100 -3.886 504 HA LYS 63 HA LYS 63 -12.739 -2.007 -3.147 505 1HB LYS 63 2HB LYS 63 -15.161 -1.816 -2.566 506 2HB LYS 63 1HB LYS 63 -15.552 -2.233 -4.229 507 1HG LYS 63 2HG LYS 63 -15.334 -4.399 -3.815 508 2HG LYS 63 1HG LYS 63 -13.743 -4.162 -3.086 509 1HD LYS 63 2HD LYS 63 -14.587 -4.478 -1.055 510 2HD LYS 63 1HD LYS 63 -15.755 -3.179 -1.307 511 1HE LYS 63 2HE LYS 63 -16.894 -5.258 -0.776 512 2HE LYS 63 1HE LYS 63 -17.257 -4.758 -2.428 513 1HZ LYS 63 1HZ LYS 63 -15.129 -6.717 -1.786 514 2HZ LYS 63 2HZ LYS 63 -15.826 -6.395 -3.293 515 3HZ LYS 63 3HZ LYS 63 -16.727 -7.178 -2.096 516 H GLU 64 H GLU 64 -12.188 -3.942 -4.225 517 HA GLU 64 HA GLU 64 -11.578 -5.270 -5.976 518 1HB GLU 64 2HB GLU 64 -13.177 -3.594 -7.881 519 2HB GLU 64 1HB GLU 64 -12.849 -5.320 -7.932 520 1HG GLU 64 2HG GLU 64 -14.246 -5.338 -5.719 521 2HG GLU 64 1HG GLU 64 -14.874 -3.819 -6.355 522 H SER 65 H SER 65 -10.476 -2.458 -5.334 523 HA SER 65 HA SER 65 -9.211 -1.734 -7.842 524 1HB SER 65 2HB SER 65 -9.350 -0.548 -5.105 525 2HB SER 65 1HB SER 65 -7.989 -0.107 -6.137 526 HG SER 65 HG SER 65 -10.619 0.626 -6.298 527 H THR 66 H THR 66 -7.117 -2.106 -8.399 528 HA THR 66 HA THR 66 -5.524 -3.729 -6.524 529 HB THR 66 HB THR 66 -4.821 -3.870 -9.384 530 HG1 THR 66 HG1 THR 66 -6.611 -5.454 -9.641 531 1HG2 THR 66 1HG2 THR 66 -4.339 -5.329 -7.057 532 2HG2 THR 66 2HG2 THR 66 -3.876 -5.773 -8.700 533 3HG2 THR 66 3HG2 THR 66 -5.397 -6.356 -8.024 534 H ILE 67 H ILE 67 -3.502 -3.086 -6.043 535 HA ILE 67 HA ILE 67 -2.443 -0.741 -7.484 536 HB ILE 67 HB ILE 67 -2.235 -1.444 -4.558 537 1HG1 ILE 67 2HG1 ILE 67 -2.949 1.197 -4.785 538 2HG1 ILE 67 1HG1 ILE 67 -3.759 0.479 -6.175 539 1HG2 ILE 67 1HG2 ILE 67 -0.149 -0.619 -4.702 540 2HG2 ILE 67 2HG2 ILE 67 -0.971 0.940 -4.765 541 3HG2 ILE 67 3HG2 ILE 67 -0.450 0.157 -6.257 542 1HD1 ILE 67 1HD1 ILE 67 -4.386 -1.289 -4.212 543 2HD1 ILE 67 2HD1 ILE 67 -5.398 0.062 -4.723 544 3HD1 ILE 67 3HD1 ILE 67 -4.340 0.233 -3.324 545 H HIS 68 H HIS 68 -0.243 -0.679 -7.944 546 HA HIS 68 HA HIS 68 1.080 -3.292 -7.867 547 1HB HIS 68 2HB HIS 68 2.474 -1.241 -9.381 548 2HB HIS 68 1HB HIS 68 1.885 -2.814 -9.905 549 HD1 HIS 68 HD1 HIS 68 1.667 0.198 -11.266 550 HD2 HIS 68 HD2 HIS 68 -1.343 -2.190 -9.685 551 HE1 HIS 68 HE1 HIS 68 -0.456 0.984 -12.358 552 HE2 HIS 68 HE2 HIS 68 -2.275 -0.423 -11.328 553 H LEU 69 H LEU 69 2.825 -3.670 -6.663 554 HA LEU 69 HA LEU 69 3.952 -1.433 -5.136 555 1HB LEU 69 2HB LEU 69 3.188 -3.175 -3.718 556 2HB LEU 69 1HB LEU 69 3.944 -4.412 -4.706 557 HG LEU 69 HG LEU 69 6.131 -3.011 -3.978 558 1HD1 LEU 69 1HD1 LEU 69 4.157 -2.733 -1.719 559 2HD1 LEU 69 2HD1 LEU 69 4.973 -1.435 -2.590 560 3HD1 LEU 69 3HD1 LEU 69 5.901 -2.520 -1.555 561 1HD2 LEU 69 1HD2 LEU 69 4.726 -5.267 -2.571 562 2HD2 LEU 69 2HD2 LEU 69 6.346 -4.728 -2.130 563 3HD2 LEU 69 3HD2 LEU 69 6.037 -5.359 -3.748 564 H VAL 70 H VAL 70 6.107 -0.919 -5.196 565 HA VAL 70 HA VAL 70 7.880 -2.557 -6.856 566 HB VAL 70 HB VAL 70 8.166 0.362 -7.233 567 1HG1 VAL 70 1HG1 VAL 70 8.217 -1.925 -9.197 568 2HG1 VAL 70 2HG1 VAL 70 9.620 -1.364 -8.285 569 3HG1 VAL 70 3HG1 VAL 70 8.834 -0.290 -9.442 570 1HG2 VAL 70 1HG2 VAL 70 5.694 -0.051 -7.350 571 2HG2 VAL 70 2HG2 VAL 70 6.006 -1.126 -8.712 572 3HG2 VAL 70 3HG2 VAL 70 6.413 0.586 -8.828 573 H LEU 71 H LEU 71 10.049 -2.436 -6.331 574 HA LEU 71 HA LEU 71 10.627 -1.546 -3.660 575 1HB LEU 71 2HB LEU 71 11.860 -3.268 -5.659 576 2HB LEU 71 1HB LEU 71 13.037 -2.271 -4.824 577 HG LEU 71 HG LEU 71 12.412 -4.646 -3.910 578 1HD1 LEU 71 1HD1 LEU 71 13.057 -2.117 -2.530 579 2HD1 LEU 71 2HD1 LEU 71 13.944 -3.640 -2.588 580 3HD1 LEU 71 3HD1 LEU 71 12.558 -3.467 -1.511 581 1HD2 LEU 71 1HD2 LEU 71 10.536 -3.391 -2.091 582 2HD2 LEU 71 2HD2 LEU 71 10.429 -4.933 -2.941 583 3HD2 LEU 71 3HD2 LEU 71 9.928 -3.445 -3.745 584 H ARG 72 H ARG 72 11.637 0.262 -3.030 585 HA ARG 72 HA ARG 72 12.700 2.031 -5.133 586 1HB ARG 72 2HB ARG 72 10.639 2.784 -3.839 587 2HB ARG 72 1HB ARG 72 11.687 2.919 -2.434 588 1HG ARG 72 2HG ARG 72 13.137 4.415 -3.984 589 2HG ARG 72 1HG ARG 72 11.656 4.548 -4.934 590 1HD ARG 72 2HD ARG 72 10.463 5.343 -2.944 591 2HD ARG 72 1HD ARG 72 11.954 5.229 -2.010 592 HE ARG 72 HE ARG 72 12.099 6.906 -4.361 593 1HH1 ARG 72 2HH1 ARG 72 11.474 6.733 -0.941 594 2HH1 ARG 72 1HH1 ARG 72 11.791 8.414 -0.665 595 1HH2 ARG 72 1HH2 ARG 72 12.520 9.122 -4.011 596 2HH2 ARG 72 2HH2 ARG 72 12.384 9.772 -2.412 597 H LEU 73 H LEU 73 14.659 0.613 -4.728 598 HA LEU 73 HA LEU 73 16.137 1.378 -2.320 599 1HB LEU 73 2HB LEU 73 16.083 -0.990 -2.828 600 2HB LEU 73 1HB LEU 73 16.701 -0.692 -4.441 601 HG LEU 73 HG LEU 73 18.416 0.286 -2.253 602 1HD1 LEU 73 1HD1 LEU 73 18.375 -1.581 -1.041 603 2HD1 LEU 73 2HD1 LEU 73 19.154 -2.374 -2.411 604 3HD1 LEU 73 3HD1 LEU 73 17.399 -2.427 -2.242 605 1HD2 LEU 73 1HD2 LEU 73 20.107 -0.172 -3.719 606 2HD2 LEU 73 2HD2 LEU 73 18.779 0.082 -4.851 607 3HD2 LEU 73 3HD2 LEU 73 19.271 -1.556 -4.424 608 H ARG 74 H ARG 74 15.739 2.468 -5.421 609 HA ARG 74 HA ARG 74 16.854 3.964 -6.722 610 1HB ARG 74 2HB ARG 74 18.035 4.363 -4.035 611 2HB ARG 74 1HB ARG 74 18.958 5.002 -5.388 612 1HG ARG 74 2HG ARG 74 16.050 5.614 -5.217 613 2HG ARG 74 1HG ARG 74 17.175 6.469 -4.158 614 1HD ARG 74 2HD ARG 74 18.446 7.231 -6.075 615 2HD ARG 74 1HD ARG 74 17.410 6.305 -7.160 616 HE ARG 74 HE ARG 74 15.802 8.054 -5.682 617 1HH1 ARG 74 2HH1 ARG 74 18.271 8.150 -8.136 618 2HH1 ARG 74 1HH1 ARG 74 17.696 9.623 -8.842 619 1HH2 ARG 74 1HH2 ARG 74 15.035 9.994 -6.603 620 2HH2 ARG 74 2HH2 ARG 74 15.855 10.671 -7.969 621 H GLY 75 H GLY 75 17.734 2.798 -8.342 622 1HA GLY 75 2HA GLY 75 19.979 1.053 -7.950 623 2HA GLY 75 1HA GLY 75 19.235 1.467 -9.488 624 H GLY 76 HN GLY 76 21.858 2.009 -7.380 625 1HA GLY 76 2HA GLY 76 22.829 4.169 -9.148 626 2HA GLY 76 1HA GLY 76 23.203 4.093 -7.433 Start of MODEL 11 1 2H MET 1 2H MET 1 -12.390 -1.258 3.180 2 3H MET 1 3H MET 1 -13.201 -2.641 3.720 3 1H MET 1 1H MET 1 -14.080 -1.316 3.137 4 HA MET 1 HA MET 1 -13.966 -3.151 1.540 5 1HB MET 1 2HB MET 1 -13.453 -1.785 -0.368 6 2HB MET 1 1HB MET 1 -14.212 -0.765 0.845 7 1HG MET 1 2HG MET 1 -12.132 0.217 1.440 8 2HG MET 1 1HG MET 1 -11.237 -0.954 0.472 9 1HE MET 1 1HE MET 1 -9.927 0.747 -0.294 10 2HE MET 1 2HE MET 1 -10.543 2.378 -0.559 11 3HE MET 1 3HE MET 1 -10.187 1.337 -1.936 12 H GLN 2 H GLN 2 -12.736 -4.438 0.151 13 HA GLN 2 HA GLN 2 -9.978 -4.831 1.056 14 1HB GLN 2 2HB GLN 2 -12.092 -6.592 0.417 15 2HB GLN 2 1HB GLN 2 -10.859 -6.827 -0.814 16 1HG GLN 2 2HG GLN 2 -9.208 -7.329 0.847 17 2HG GLN 2 1HG GLN 2 -10.327 -6.913 2.145 18 1HE2 GLN 2 1HE2 GLN 2 -9.565 -9.146 2.760 19 2HE2 GLN 2 2HE2 GLN 2 -10.517 -10.473 2.195 20 H VAL 3 H VAL 3 -8.293 -5.265 -0.482 21 HA VAL 3 HA VAL 3 -8.763 -4.284 -3.203 22 HB VAL 3 HB VAL 3 -6.666 -2.937 -3.092 23 1HG1 VAL 3 1HG1 VAL 3 -8.566 -1.886 -1.034 24 2HG1 VAL 3 2HG1 VAL 3 -9.083 -2.090 -2.707 25 3HG1 VAL 3 3HG1 VAL 3 -7.730 -1.026 -2.326 26 1HG2 VAL 3 1HG2 VAL 3 -6.264 -2.245 -0.538 27 2HG2 VAL 3 2HG2 VAL 3 -5.366 -3.536 -1.336 28 3HG2 VAL 3 3HG2 VAL 3 -6.745 -3.926 -0.307 29 H PHE 4 H PHE 4 -6.698 -4.576 -4.553 30 HA PHE 4 HA PHE 4 -5.395 -7.103 -3.781 31 1HB PHE 4 2HB PHE 4 -5.816 -6.320 -6.648 32 2HB PHE 4 1HB PHE 4 -5.555 -7.921 -5.964 33 HD1 PHE 4 HD1 PHE 4 -7.479 -8.557 -4.155 34 HD2 PHE 4 HD2 PHE 4 -7.906 -5.912 -7.472 35 HE1 PHE 4 HE1 PHE 4 -9.913 -8.953 -4.153 36 HE2 PHE 4 HE2 PHE 4 -10.340 -6.302 -7.476 37 HZ PHE 4 HZ PHE 4 -11.345 -7.825 -5.814 38 H LEU 5 H LEU 5 -3.237 -7.097 -3.736 39 HA LEU 5 HA LEU 5 -1.846 -4.779 -4.901 40 1HB LEU 5 2HB LEU 5 -1.814 -5.427 -2.334 41 2HB LEU 5 1HB LEU 5 -0.561 -6.533 -2.862 42 HG LEU 5 HG LEU 5 0.308 -4.239 -4.012 43 1HD1 LEU 5 1HD1 LEU 5 -1.312 -3.496 -1.608 44 2HD1 LEU 5 2HD1 LEU 5 -1.223 -2.707 -3.182 45 3HD1 LEU 5 3HD1 LEU 5 0.123 -2.572 -2.051 46 1HD2 LEU 5 1HD2 LEU 5 1.913 -4.122 -2.195 47 2HD2 LEU 5 2HD2 LEU 5 1.601 -5.803 -2.628 48 3HD2 LEU 5 3HD2 LEU 5 0.866 -5.114 -1.180 49 H LYS 6 H LYS 6 -0.318 -5.082 -6.411 50 HA LYS 6 HA LYS 6 0.244 -7.848 -7.213 51 1HB LYS 6 2HB LYS 6 -0.623 -5.769 -8.723 52 2HB LYS 6 1HB LYS 6 1.114 -5.630 -8.957 53 1HG LYS 6 2HG LYS 6 0.541 -7.004 -10.693 54 2HG LYS 6 1HG LYS 6 0.961 -8.188 -9.453 55 1HD LYS 6 2HD LYS 6 -1.285 -8.677 -8.997 56 2HD LYS 6 1HD LYS 6 -1.857 -7.220 -9.811 57 1HE LYS 6 2HE LYS 6 -0.671 -9.682 -11.078 58 2HE LYS 6 1HE LYS 6 -2.332 -9.104 -11.212 59 1HZ LYS 6 1HZ LYS 6 -1.406 -8.369 -13.164 60 2HZ LYS 6 2HZ LYS 6 0.105 -8.051 -12.475 61 3HZ LYS 6 3HZ LYS 6 -1.193 -7.007 -12.183 62 H THR 7 H THR 7 2.303 -8.624 -7.443 63 HA THR 7 HA THR 7 4.404 -7.036 -6.152 64 HB THR 7 HB THR 7 5.531 -9.032 -5.637 65 HG1 THR 7 HG1 THR 7 5.238 -10.924 -6.726 66 1HG2 THR 7 1HG2 THR 7 2.557 -9.470 -5.455 67 2HG2 THR 7 2HG2 THR 7 3.647 -8.870 -4.205 68 3HG2 THR 7 3HG2 THR 7 3.731 -10.557 -4.714 69 H LEU 8 H LEU 8 6.698 -7.806 -7.050 70 HA LEU 8 HA LEU 8 6.877 -6.730 -9.672 71 1HB LEU 8 2HB LEU 8 9.070 -8.277 -8.324 72 2HB LEU 8 1HB LEU 8 9.209 -6.942 -9.452 73 HG LEU 8 HG LEU 8 7.863 -6.357 -6.878 74 1HD1 LEU 8 1HD1 LEU 8 9.500 -7.110 -5.585 75 2HD1 LEU 8 2HD1 LEU 8 10.572 -5.945 -6.361 76 3HD1 LEU 8 3HD1 LEU 8 10.460 -7.591 -6.983 77 1HD2 LEU 8 1HD2 LEU 8 8.084 -4.541 -8.346 78 2HD2 LEU 8 2HD2 LEU 8 9.748 -4.960 -8.753 79 3HD2 LEU 8 3HD2 LEU 8 9.365 -4.319 -7.155 80 H THR 9 H THR 9 6.048 -9.784 -8.612 81 HA THR 9 HA THR 9 6.988 -11.037 -11.107 82 HB THR 9 HB THR 9 6.475 -13.217 -9.865 83 HG1 THR 9 HG1 THR 9 6.450 -13.048 -7.601 84 1HG2 THR 9 1HG2 THR 9 8.750 -11.413 -9.638 85 2HG2 THR 9 2HG2 THR 9 8.712 -13.150 -9.946 86 3HG2 THR 9 3HG2 THR 9 8.641 -12.544 -8.290 87 H GLY 10 H GLY 10 4.232 -10.199 -9.186 88 1HA GLY 10 2HA GLY 10 2.233 -10.013 -10.801 89 2HA GLY 10 1HA GLY 10 2.465 -11.748 -10.960 90 H LYS 11 H LYS 11 2.824 -12.703 -8.546 91 HA LYS 11 HA LYS 11 0.765 -13.433 -7.285 92 1HB LYS 11 2HB LYS 11 3.115 -13.393 -6.317 93 2HB LYS 11 1HB LYS 11 2.675 -11.865 -5.566 94 1HG LYS 11 2HG LYS 11 0.616 -13.339 -4.735 95 2HG LYS 11 1HG LYS 11 1.819 -14.617 -4.916 96 1HD LYS 11 2HD LYS 11 2.016 -12.135 -3.219 97 2HD LYS 11 1HD LYS 11 1.940 -13.810 -2.670 98 1HE LYS 11 2HE LYS 11 4.110 -13.635 -4.459 99 2HE LYS 11 1HE LYS 11 4.226 -12.243 -3.384 100 1HZ LYS 11 1HZ LYS 11 5.235 -13.700 -2.035 101 2HZ LYS 11 2HZ LYS 11 4.579 -15.055 -2.808 102 3HZ LYS 11 3HZ LYS 11 3.666 -14.213 -1.660 103 H THR 12 H THR 12 -1.129 -12.818 -6.505 104 HA THR 12 HA THR 12 -1.573 -9.943 -6.026 105 HB THR 12 HB THR 12 -3.626 -12.017 -6.821 106 HG1 THR 12 HG1 THR 12 -1.851 -10.643 -8.299 107 1HG2 THR 12 1HG2 THR 12 -4.872 -9.784 -7.362 108 2HG2 THR 12 2HG2 THR 12 -3.757 -9.098 -6.181 109 3HG2 THR 12 3HG2 THR 12 -4.850 -10.400 -5.709 110 H VAL 13 H VAL 13 -2.133 -9.325 -4.039 111 HA VAL 13 HA VAL 13 -2.992 -11.401 -2.131 112 HB VAL 13 HB VAL 13 -2.102 -9.888 -0.352 113 1HG1 VAL 13 1HG1 VAL 13 -0.832 -11.792 -1.686 114 2HG1 VAL 13 2HG1 VAL 13 -0.027 -10.827 -0.448 115 3HG1 VAL 13 3HG1 VAL 13 0.193 -10.436 -2.153 116 1HG2 VAL 13 1HG2 VAL 13 -2.180 -7.876 -1.977 117 2HG2 VAL 13 2HG2 VAL 13 -0.592 -8.442 -2.495 118 3HG2 VAL 13 3HG2 VAL 13 -0.860 -7.984 -0.812 119 H THR 14 H THR 14 -4.598 -10.870 -0.594 120 HA THR 14 HA THR 14 -6.335 -8.646 -1.435 121 HB THR 14 HB THR 14 -8.000 -10.110 0.073 122 HG1 THR 14 HG1 THR 14 -7.483 -12.372 -0.625 123 1HG2 THR 14 1HG2 THR 14 -8.102 -11.435 -2.385 124 2HG2 THR 14 2HG2 THR 14 -7.438 -9.842 -2.748 125 3HG2 THR 14 3HG2 THR 14 -8.991 -9.983 -1.923 126 H ILE 15 H ILE 15 -5.850 -6.946 -0.166 127 HA ILE 15 HA ILE 15 -5.601 -7.394 2.732 128 HB ILE 15 HB ILE 15 -4.832 -4.883 1.255 129 1HG1 ILE 15 2HG1 ILE 15 -3.183 -7.340 1.863 130 2HG1 ILE 15 1HG1 ILE 15 -3.487 -6.615 0.288 131 1HG2 ILE 15 1HG2 ILE 15 -5.216 -5.129 3.852 132 2HG2 ILE 15 2HG2 ILE 15 -3.889 -4.164 3.207 133 3HG2 ILE 15 3HG2 ILE 15 -3.586 -5.799 3.793 134 1HD1 ILE 15 1HD1 ILE 15 -2.321 -4.551 1.602 135 2HD1 ILE 15 2HD1 ILE 15 -1.472 -5.704 0.572 136 3HD1 ILE 15 3HD1 ILE 15 -1.501 -5.937 2.320 137 H GLU 16 H GLU 16 -6.825 -6.214 4.186 138 HA GLU 16 HA GLU 16 -9.226 -4.975 3.049 139 1HB GLU 16 2HB GLU 16 -9.090 -5.404 5.961 140 2HB GLU 16 1HB GLU 16 -10.387 -5.760 4.829 141 1HG GLU 16 2HG GLU 16 -8.968 -7.712 4.048 142 2HG GLU 16 1HG GLU 16 -7.974 -7.419 5.474 143 H VAL 17 H VAL 17 -9.595 -2.861 3.197 144 HA VAL 17 HA VAL 17 -8.216 -1.287 5.243 145 HB VAL 17 HB VAL 17 -7.360 0.328 3.766 146 1HG1 VAL 17 1HG1 VAL 17 -5.690 -0.835 2.725 147 2HG1 VAL 17 2HG1 VAL 17 -6.789 -2.050 2.073 148 3HG1 VAL 17 3HG1 VAL 17 -6.330 -2.099 3.775 149 1HG2 VAL 17 1HG2 VAL 17 -7.914 -0.442 1.155 150 2HG2 VAL 17 2HG2 VAL 17 -8.614 0.924 2.023 151 3HG2 VAL 17 3HG2 VAL 17 -9.449 -0.629 2.005 152 H GLU 18 H GLU 18 -9.089 1.017 5.263 153 HA GLU 18 HA GLU 18 -11.974 0.953 4.668 154 1HB GLU 18 2HB GLU 18 -10.453 1.953 7.040 155 2HB GLU 18 1HB GLU 18 -11.964 2.741 6.604 156 1HG GLU 18 2HG GLU 18 -12.643 0.093 6.525 157 2HG GLU 18 1HG GLU 18 -11.488 0.151 7.855 158 HA PRO 19 HA PRO 19 -11.201 4.245 1.775 159 1HB PRO 19 2HB PRO 19 -13.997 4.921 2.583 160 2HB PRO 19 1HB PRO 19 -13.300 4.772 0.966 161 1HG PRO 19 2HG PRO 19 -14.838 2.840 1.963 162 2HG PRO 19 1HG PRO 19 -13.405 2.453 0.993 163 1HD PRO 19 2HD PRO 19 -13.814 2.250 3.937 164 2HD PRO 19 1HD PRO 19 -12.833 1.238 2.859 165 H SER 20 H SER 20 -9.721 5.286 3.233 166 HA SER 20 HA SER 20 -9.948 7.870 3.732 167 1HB SER 20 2HB SER 20 -10.631 7.970 6.234 168 2HB SER 20 1HB SER 20 -11.902 7.854 5.016 169 HG SER 20 HG SER 20 -11.743 6.323 7.007 170 H ASP 21 H ASP 21 -8.538 4.927 4.455 171 HA ASP 21 HA ASP 21 -6.832 5.642 6.599 172 1HB ASP 21 2HB ASP 21 -6.949 3.438 4.594 173 2HB ASP 21 1HB ASP 21 -5.429 3.694 5.444 174 H THR 22 H THR 22 -4.413 5.737 6.356 175 HA THR 22 HA THR 22 -3.763 7.572 4.161 176 HB THR 22 HB THR 22 -2.056 8.492 5.493 177 HG1 THR 22 HG1 THR 22 -0.916 7.206 6.715 178 1HG2 THR 22 1HG2 THR 22 -3.647 9.531 6.665 179 2HG2 THR 22 2HG2 THR 22 -3.422 8.307 7.915 180 3HG2 THR 22 3HG2 THR 22 -4.664 8.090 6.681 181 H VAL 23 H VAL 23 -1.749 7.381 3.051 182 HA VAL 23 HA VAL 23 -1.156 4.891 2.044 183 HB VAL 23 HB VAL 23 0.734 7.238 2.279 184 1HG1 VAL 23 1HG1 VAL 23 1.946 5.190 1.795 185 2HG1 VAL 23 2HG1 VAL 23 1.899 6.224 0.366 186 3HG1 VAL 23 3HG1 VAL 23 0.835 4.822 0.475 187 1HG2 VAL 23 1HG2 VAL 23 0.004 7.498 -0.172 188 2HG2 VAL 23 2HG2 VAL 23 -1.116 8.018 1.087 189 3HG2 VAL 23 3HG2 VAL 23 -1.359 6.473 0.273 190 H GLU 24 H GLU 24 0.330 6.549 4.790 191 HA GLU 24 HA GLU 24 2.460 4.864 5.299 192 1HB GLU 24 2HB GLU 24 0.667 6.348 7.223 193 2HB GLU 24 1HB GLU 24 2.141 5.527 7.716 194 1HG GLU 24 2HG GLU 24 3.070 7.537 7.395 195 2HG GLU 24 1HG GLU 24 3.088 7.044 5.702 196 H ASN 25 H ASN 25 -0.837 4.617 6.638 197 HA ASN 25 HA ASN 25 -0.509 2.262 8.066 198 1HB ASN 25 2HB ASN 25 -2.735 3.851 7.090 199 2HB ASN 25 1HB ASN 25 -3.108 2.130 7.045 200 1HD2 ASN 25 1HD2 ASN 25 -2.700 4.889 8.996 201 2HD2 ASN 25 2HD2 ASN 25 -2.987 4.137 10.526 202 H PHE 26 H PHE 26 -1.504 2.698 4.685 203 HA PHE 26 HA PHE 26 -1.982 0.060 4.003 204 1HB PHE 26 2HB PHE 26 -2.272 2.199 2.596 205 2HB PHE 26 1HB PHE 26 -0.589 1.967 2.134 206 HD1 PHE 26 HD1 PHE 26 -1.797 -1.217 2.640 207 HD2 PHE 26 HD2 PHE 26 -2.132 2.035 -0.098 208 HE1 PHE 26 HE1 PHE 26 -2.502 -2.784 0.871 209 HE2 PHE 26 HE2 PHE 26 -2.836 0.475 -1.872 210 HZ PHE 26 HZ PHE 26 -3.023 -1.937 -1.387 211 H LYS 27 H LYS 27 1.088 1.846 3.717 212 HA LYS 27 HA LYS 27 2.662 -0.240 2.768 213 1HB LYS 27 2HB LYS 27 3.563 1.945 4.652 214 2HB LYS 27 1HB LYS 27 4.575 1.027 3.546 215 1HG LYS 27 2HG LYS 27 3.652 2.087 1.658 216 2HG LYS 27 1HG LYS 27 2.317 2.760 2.595 217 1HD LYS 27 2HD LYS 27 3.858 4.530 2.197 218 2HD LYS 27 1HD LYS 27 4.017 4.073 3.895 219 1HE LYS 27 2HE LYS 27 5.978 2.700 3.315 220 2HE LYS 27 1HE LYS 27 5.830 3.224 1.637 221 1HZ LYS 27 1HZ LYS 27 6.290 5.461 2.273 222 2HZ LYS 27 2HZ LYS 27 7.494 4.480 2.943 223 3HZ LYS 27 3HZ LYS 27 6.247 5.074 3.920 224 H ALA 28 H ALA 28 1.607 0.511 6.020 225 HA ALA 28 HA ALA 28 3.377 -1.232 7.385 226 1HB ALA 28 1HB ALA 28 0.894 0.244 8.069 227 2HB ALA 28 2HB ALA 28 2.477 0.266 8.847 228 3HB ALA 28 3HB ALA 28 1.378 -1.086 9.121 229 H LYS 29 H LYS 29 0.078 -1.618 6.148 230 HA LYS 29 HA LYS 29 -0.424 -4.175 7.173 231 1HB LYS 29 2HB LYS 29 -1.499 -2.591 4.876 232 2HB LYS 29 1HB LYS 29 -1.933 -4.288 5.015 233 1HG LYS 29 2HG LYS 29 -2.985 -3.942 7.108 234 2HG LYS 29 1HG LYS 29 -2.318 -2.313 7.247 235 1HD LYS 29 2HD LYS 29 -3.673 -2.243 4.847 236 2HD LYS 29 1HD LYS 29 -4.710 -3.238 5.871 237 1HE LYS 29 2HE LYS 29 -5.394 -0.969 6.134 238 2HE LYS 29 1HE LYS 29 -4.568 -1.456 7.614 239 1HZ LYS 29 1HZ LYS 29 -2.660 -0.393 5.874 240 2HZ LYS 29 2HZ LYS 29 -3.194 0.240 7.349 241 3HZ LYS 29 3HZ LYS 29 -3.964 0.686 5.910 242 H ILE 30 H ILE 30 1.105 -3.143 4.157 243 HA ILE 30 HA ILE 30 1.379 -5.746 3.059 244 HB ILE 30 HB ILE 30 3.077 -3.323 2.458 245 1HG1 ILE 30 2HG1 ILE 30 0.594 -4.197 0.981 246 2HG1 ILE 30 1HG1 ILE 30 0.549 -3.009 2.280 247 1HG2 ILE 30 1HG2 ILE 30 4.162 -5.011 1.373 248 2HG2 ILE 30 2HG2 ILE 30 2.970 -4.588 0.144 249 3HG2 ILE 30 3HG2 ILE 30 2.702 -5.984 1.188 250 1HD1 ILE 30 1HD1 ILE 30 2.392 -2.628 -0.035 251 2HD1 ILE 30 2HD1 ILE 30 1.688 -1.427 1.048 252 3HD1 ILE 30 3HD1 ILE 30 0.683 -2.214 -0.170 253 H GLN 31 H GLN 31 3.465 -3.712 5.050 254 HA GLN 31 HA GLN 31 5.803 -5.242 4.895 255 1HB GLN 31 2HB GLN 31 5.867 -3.022 5.821 256 2HB GLN 31 1HB GLN 31 4.750 -3.471 7.103 257 1HG GLN 31 2HG GLN 31 6.694 -5.244 7.582 258 2HG GLN 31 1HG GLN 31 7.649 -3.956 6.850 259 1HE2 GLN 31 1HE2 GLN 31 5.881 -1.859 7.801 260 2HE2 GLN 31 2HE2 GLN 31 6.193 -1.690 9.492 261 H ASP 32 H ASP 32 3.067 -5.430 7.143 262 HA ASP 32 HA ASP 32 4.152 -7.469 8.769 263 1HB ASP 32 2HB ASP 32 1.913 -7.716 9.664 264 2HB ASP 32 1HB ASP 32 2.260 -6.005 9.440 265 H LYS 33 H LYS 33 3.135 -7.565 5.586 266 HA LYS 33 HA LYS 33 2.383 -10.400 5.726 267 1HB LYS 33 2HB LYS 33 1.863 -8.208 3.766 268 2HB LYS 33 1HB LYS 33 1.898 -9.867 3.183 269 1HG LYS 33 2HG LYS 33 0.281 -10.133 5.330 270 2HG LYS 33 1HG LYS 33 -0.097 -8.483 4.832 271 1HD LYS 33 2HD LYS 33 -0.348 -9.447 2.476 272 2HD LYS 33 1HD LYS 33 -0.374 -11.028 3.260 273 1HE LYS 33 2HE LYS 33 -2.402 -8.886 3.231 274 2HE LYS 33 1HE LYS 33 -2.602 -10.636 3.301 275 1HZ LYS 33 1HZ LYS 33 -3.303 -9.914 5.372 276 2HZ LYS 33 2HZ LYS 33 -2.084 -8.748 5.509 277 3HZ LYS 33 3HZ LYS 33 -1.707 -10.389 5.673 278 H GLU 34 H GLU 34 4.373 -8.231 3.710 279 HA GLU 34 HA GLU 34 6.024 -10.532 2.955 280 1HB GLU 34 2HB GLU 34 6.128 -7.739 1.815 281 2HB GLU 34 1HB GLU 34 6.842 -9.197 1.137 282 1HG GLU 34 2HG GLU 34 4.442 -10.078 1.003 283 2HG GLU 34 1HG GLU 34 3.959 -8.402 1.255 284 H GLY 35 H GLY 35 6.094 -7.587 4.789 285 1HA GLY 35 2HA GLY 35 7.662 -6.825 6.298 286 2HA GLY 35 1HA GLY 35 8.555 -8.315 6.037 287 H ILE 36 H ILE 36 7.762 -5.303 4.303 288 HA ILE 36 HA ILE 36 10.564 -5.219 3.394 289 HB ILE 36 HB ILE 36 8.081 -4.393 1.895 290 1HG1 ILE 36 2HG1 ILE 36 10.222 -6.150 0.787 291 2HG1 ILE 36 1HG1 ILE 36 9.130 -6.836 1.987 292 1HG2 ILE 36 1HG2 ILE 36 10.944 -3.986 1.045 293 2HG2 ILE 36 2HG2 ILE 36 9.898 -2.716 1.684 294 3HG2 ILE 36 3HG2 ILE 36 9.492 -3.512 0.163 295 1HD1 ILE 36 1HD1 ILE 36 7.353 -6.801 0.588 296 2HD1 ILE 36 2HD1 ILE 36 8.639 -6.939 -0.610 297 3HD1 ILE 36 3HD1 ILE 36 7.912 -5.368 -0.272 298 HA PRO 37 HA PRO 37 10.769 -1.475 5.807 299 1HB PRO 37 2HB PRO 37 12.946 -0.923 3.845 300 2HB PRO 37 1HB PRO 37 12.972 -0.828 5.609 301 1HG PRO 37 2HG PRO 37 14.123 -2.870 4.347 302 2HG PRO 37 1HG PRO 37 13.229 -3.123 5.859 303 1HD PRO 37 2HD PRO 37 12.424 -3.742 3.052 304 2HD PRO 37 1HD PRO 37 12.073 -4.628 4.550 305 HA PRO 38 HA PRO 38 8.101 1.019 3.197 306 1HB PRO 38 2HB PRO 38 8.918 3.000 5.279 307 2HB PRO 38 1HB PRO 38 7.308 2.630 4.650 308 1HG PRO 38 2HG PRO 38 8.073 1.717 7.030 309 2HG PRO 38 1HG PRO 38 7.101 0.712 5.940 310 1HD PRO 38 2HD PRO 38 9.997 0.531 6.606 311 2HD PRO 38 1HD PRO 38 8.846 -0.759 6.206 312 H ASP 39 H ASP 39 11.295 1.949 4.346 313 HA ASP 39 HA ASP 39 11.715 4.233 2.813 314 1HB ASP 39 2HB ASP 39 13.206 3.332 4.642 315 2HB ASP 39 1HB ASP 39 13.831 2.179 3.468 316 H GLN 40 H GLN 40 11.389 0.989 1.818 317 HA GLN 40 HA GLN 40 12.327 1.719 -0.877 318 1HB GLN 40 2HB GLN 40 12.419 -1.143 -0.316 319 2HB GLN 40 1HB GLN 40 13.633 -0.099 -1.042 320 1HG GLN 40 2HG GLN 40 13.153 -0.045 1.906 321 2HG GLN 40 1HG GLN 40 14.158 -1.296 1.177 322 1HE2 GLN 40 1HE2 GLN 40 16.175 -0.798 0.468 323 2HE2 GLN 40 2HE2 GLN 40 16.915 0.748 0.680 324 H GLN 41 H GLN 41 9.639 1.718 0.460 325 HA GLN 41 HA GLN 41 8.251 -0.325 -1.116 326 1HB GLN 41 2HB GLN 41 7.531 1.329 1.268 327 2HB GLN 41 1HB GLN 41 6.243 0.727 0.233 328 1HG GLN 41 2HG GLN 41 7.650 -1.534 0.576 329 2HG GLN 41 1HG GLN 41 8.011 -0.712 2.094 330 1HE2 GLN 41 1HE2 GLN 41 6.813 -1.796 3.522 331 2HE2 GLN 41 2HE2 GLN 41 5.099 -2.001 3.429 332 H ARG 42 H ARG 42 7.868 0.316 -3.136 333 HA ARG 42 HA ARG 42 6.967 3.079 -3.590 334 1HB ARG 42 2HB ARG 42 8.978 1.665 -4.840 335 2HB ARG 42 1HB ARG 42 7.635 1.502 -5.963 336 1HG ARG 42 2HG ARG 42 8.015 3.537 -6.731 337 2HG ARG 42 1HG ARG 42 7.755 4.210 -5.120 338 1HD ARG 42 2HD ARG 42 10.205 3.389 -4.710 339 2HD ARG 42 1HD ARG 42 10.304 3.439 -6.469 340 HE ARG 42 HE ARG 42 10.377 5.716 -6.350 341 1HH1 ARG 42 2HH1 ARG 42 9.103 4.480 -3.354 342 2HH1 ARG 42 1HH1 ARG 42 9.087 6.027 -2.574 343 1HH2 ARG 42 1HH2 ARG 42 10.358 7.757 -5.333 344 2HH2 ARG 42 2HH2 ARG 42 9.800 7.890 -3.699 345 H LEU 43 H LEU 43 4.791 3.040 -3.396 346 HA LEU 43 HA LEU 43 3.287 0.920 -4.753 347 1HB LEU 43 2HB LEU 43 2.145 3.055 -2.967 348 2HB LEU 43 1HB LEU 43 1.422 1.523 -3.419 349 HG LEU 43 HG LEU 43 3.721 1.971 -1.522 350 1HD1 LEU 43 1HD1 LEU 43 1.046 0.648 -1.106 351 2HD1 LEU 43 2HD1 LEU 43 1.407 2.323 -0.686 352 3HD1 LEU 43 3HD1 LEU 43 2.264 1.008 0.118 353 1HD2 LEU 43 1HD2 LEU 43 2.834 -0.746 -1.627 354 2HD2 LEU 43 2HD2 LEU 43 4.454 -0.094 -1.874 355 3HD2 LEU 43 3HD2 LEU 43 3.341 -0.229 -3.235 356 H ILE 44 H ILE 44 2.243 1.285 -6.602 357 HA ILE 44 HA ILE 44 1.751 4.078 -7.403 358 HB ILE 44 HB ILE 44 2.563 1.846 -9.267 359 1HG1 ILE 44 2HG1 ILE 44 4.120 3.946 -7.824 360 2HG1 ILE 44 1HG1 ILE 44 4.570 2.290 -8.222 361 1HG2 ILE 44 1HG2 ILE 44 2.169 4.800 -9.737 362 2HG2 ILE 44 2HG2 ILE 44 1.115 3.503 -10.302 363 3HG2 ILE 44 3HG2 ILE 44 2.759 3.639 -10.928 364 1HD1 ILE 44 1HD1 ILE 44 5.896 3.958 -9.432 365 2HD1 ILE 44 2HD1 ILE 44 4.421 4.554 -10.195 366 3HD1 ILE 44 3HD1 ILE 44 4.978 2.911 -10.513 367 H PHE 45 H PHE 45 -0.256 4.531 -8.063 368 HA PHE 45 HA PHE 45 -2.083 2.271 -8.555 369 1HB PHE 45 2HB PHE 45 -2.544 3.535 -6.458 370 2HB PHE 45 1HB PHE 45 -2.797 4.984 -7.426 371 HD1 PHE 45 HD1 PHE 45 -3.917 2.076 -9.114 372 HD2 PHE 45 HD2 PHE 45 -5.023 4.909 -6.125 373 HE1 PHE 45 HE1 PHE 45 -6.285 1.462 -9.414 374 HE2 PHE 45 HE2 PHE 45 -7.394 4.300 -6.419 375 HZ PHE 45 HZ PHE 45 -8.026 2.574 -8.065 376 H ALA 46 H ALA 46 -1.604 2.332 -10.804 377 HA ALA 46 HA ALA 46 -2.004 2.906 -12.969 378 1HB ALA 46 1HB ALA 46 -4.325 2.912 -12.341 379 2HB ALA 46 2HB ALA 46 -4.027 4.269 -13.428 380 3HB ALA 46 3HB ALA 46 -4.189 4.546 -11.693 381 H GLY 47 H GLY 47 0.107 4.221 -11.822 382 1HA GLY 47 2HA GLY 47 1.516 5.883 -12.704 383 2HA GLY 47 1HA GLY 47 0.107 6.691 -13.374 384 H LYS 48 H LYS 48 -1.031 6.180 -10.486 385 HA LYS 48 HA LYS 48 -0.083 8.751 -9.470 386 1HB LYS 48 2HB LYS 48 -2.296 7.180 -8.204 387 2HB LYS 48 1HB LYS 48 -2.075 8.923 -8.283 388 1HG LYS 48 2HG LYS 48 -2.343 7.953 -10.935 389 2HG LYS 48 1HG LYS 48 -3.636 7.257 -9.958 390 1HD LYS 48 2HD LYS 48 -3.190 10.084 -9.409 391 2HD LYS 48 1HD LYS 48 -3.631 9.770 -11.089 392 1HE LYS 48 2HE LYS 48 -5.161 9.040 -8.602 393 2HE LYS 48 1HE LYS 48 -5.653 10.131 -9.897 394 1HZ LYS 48 1HZ LYS 48 -6.659 8.402 -10.817 395 2HZ LYS 48 2HZ LYS 48 -5.992 7.322 -9.700 396 3HZ LYS 48 3HZ LYS 48 -5.142 7.712 -11.111 397 H GLN 49 H GLN 49 1.836 8.352 -8.454 398 HA GLN 49 HA GLN 49 2.360 6.109 -6.819 399 1HB GLN 49 2HB GLN 49 3.896 8.061 -7.904 400 2HB GLN 49 1HB GLN 49 3.831 8.605 -6.234 401 1HG GLN 49 2HG GLN 49 4.362 5.792 -6.322 402 2HG GLN 49 1HG GLN 49 5.504 6.657 -7.349 403 1HE2 GLN 49 1HE2 GLN 49 7.320 6.817 -6.236 404 2HE2 GLN 49 2HE2 GLN 49 7.463 7.381 -4.609 405 H LEU 50 H LEU 50 1.976 5.713 -4.722 406 HA LEU 50 HA LEU 50 0.249 7.505 -3.274 407 1HB LEU 50 2HB LEU 50 1.357 4.768 -2.791 408 2HB LEU 50 1HB LEU 50 0.633 5.656 -1.463 409 HG LEU 50 HG LEU 50 -1.470 5.836 -2.761 410 1HD1 LEU 50 1HD1 LEU 50 -0.825 5.724 -5.002 411 2HD1 LEU 50 2HD1 LEU 50 -1.637 4.186 -4.708 412 3HD1 LEU 50 3HD1 LEU 50 0.125 4.259 -4.751 413 1HD2 LEU 50 1HD2 LEU 50 -1.087 2.953 -2.836 414 2HD2 LEU 50 2HD2 LEU 50 -2.170 3.928 -1.844 415 3HD2 LEU 50 3HD2 LEU 50 -0.494 3.691 -1.347 416 H GLU 51 H GLU 51 0.911 9.092 -2.003 417 HA GLU 51 HA GLU 51 3.656 9.031 -0.958 418 1HB GLU 51 2HB GLU 51 1.737 11.253 -1.588 419 2HB GLU 51 1HB GLU 51 3.074 11.522 -0.477 420 1HG GLU 51 2HG GLU 51 4.233 10.286 -2.677 421 2HG GLU 51 1HG GLU 51 3.060 11.411 -3.359 422 H ASP 52 H ASP 52 4.077 9.165 1.211 423 HA ASP 52 HA ASP 52 2.083 8.307 3.017 424 1HB ASP 52 2HB ASP 52 4.765 9.551 3.652 425 2HB ASP 52 1HB ASP 52 3.778 8.587 4.746 426 H GLY 53 H GLY 53 0.763 10.317 2.069 427 1HA GLY 53 2HA GLY 53 0.558 12.151 4.306 428 2HA GLY 53 1HA GLY 53 0.962 12.891 2.766 429 H ARG 54 H ARG 54 -0.735 10.842 1.330 430 HA ARG 54 HA ARG 54 -3.289 12.187 1.839 431 1HB ARG 54 2HB ARG 54 -2.788 10.494 -0.575 432 2HB ARG 54 1HB ARG 54 -3.825 11.904 -0.396 433 1HG ARG 54 2HG ARG 54 -1.127 12.691 0.067 434 2HG ARG 54 1HG ARG 54 -1.209 11.774 -1.439 435 1HD ARG 54 2HD ARG 54 -3.186 13.247 -2.050 436 2HD ARG 54 1HD ARG 54 -2.717 14.265 -0.689 437 HE ARG 54 HE ARG 54 -1.484 14.173 -3.246 438 1HH1 ARG 54 2HH1 ARG 54 -0.809 14.595 0.144 439 2HH1 ARG 54 1HH1 ARG 54 0.611 15.551 -0.124 440 1HH2 ARG 54 1HH2 ARG 54 0.384 15.430 -3.612 441 2HH2 ARG 54 2HH2 ARG 54 1.289 16.026 -2.261 442 H THR 55 H THR 55 -5.164 10.619 0.922 443 HA THR 55 HA THR 55 -4.912 8.119 2.464 444 HB THR 55 HB THR 55 -7.095 8.290 3.203 445 HG1 THR 55 HG1 THR 55 -7.628 10.165 1.121 446 1HG2 THR 55 1HG2 THR 55 -7.492 10.615 3.940 447 2HG2 THR 55 2HG2 THR 55 -6.214 11.157 2.851 448 3HG2 THR 55 3HG2 THR 55 -5.826 10.100 4.207 449 H LEU 56 H LEU 56 -6.658 6.473 1.719 450 HA LEU 56 HA LEU 56 -6.059 5.762 -0.958 451 1HB LEU 56 2HB LEU 56 -8.340 4.640 0.648 452 2HB LEU 56 1HB LEU 56 -7.401 3.846 -0.602 453 HG LEU 56 HG LEU 56 -6.376 4.608 2.135 454 1HD1 LEU 56 1HD1 LEU 56 -7.550 2.127 1.001 455 2HD1 LEU 56 2HD1 LEU 56 -7.672 2.800 2.628 456 3HD1 LEU 56 3HD1 LEU 56 -6.198 1.972 2.123 457 1HD2 LEU 56 1HD2 LEU 56 -4.932 2.728 0.367 458 2HD2 LEU 56 2HD2 LEU 56 -4.312 3.891 1.539 459 3HD2 LEU 56 3HD2 LEU 56 -4.853 4.440 -0.048 460 H SER 57 H SER 57 -8.867 7.221 0.592 461 HA SER 57 HA SER 57 -10.622 7.115 -1.601 462 1HB SER 57 2HB SER 57 -12.038 8.460 -0.353 463 2HB SER 57 1HB SER 57 -11.017 7.789 0.918 464 HG SER 57 HG SER 57 -9.696 9.826 0.324 465 H ASP 58 H ASP 58 -7.931 9.160 -0.879 466 HA ASP 58 HA ASP 58 -8.588 11.350 -2.545 467 1HB ASP 58 2HB ASP 58 -6.014 10.311 -1.389 468 2HB ASP 58 1HB ASP 58 -6.017 11.670 -2.509 469 H TYR 59 H TYR 59 -7.212 8.215 -3.152 470 HA TYR 59 HA TYR 59 -6.561 8.959 -5.911 471 1HB TYR 59 2HB TYR 59 -5.979 6.388 -4.426 472 2HB TYR 59 1HB TYR 59 -5.395 6.812 -6.031 473 HD1 TYR 59 HD1 TYR 59 -3.746 8.681 -6.284 474 HD2 TYR 59 HD2 TYR 59 -4.873 7.152 -2.467 475 HE1 TYR 59 HE1 TYR 59 -1.751 9.723 -5.284 476 HE2 TYR 59 HE2 TYR 59 -2.881 8.191 -1.457 477 HH TYR 59 HH TYR 59 -1.246 9.783 -1.820 478 H ASN 60 H ASN 60 -9.234 8.099 -4.368 479 HA ASN 60 HA ASN 60 -11.216 7.170 -4.978 480 1HB ASN 60 2HB ASN 60 -9.864 7.370 -7.660 481 2HB ASN 60 1HB ASN 60 -11.473 6.675 -7.495 482 1HD2 ASN 60 1HD2 ASN 60 -13.110 8.014 -7.682 483 2HD2 ASN 60 2HD2 ASN 60 -13.054 9.727 -7.466 484 H ILE 61 H ILE 61 -9.436 5.463 -3.799 485 HA ILE 61 HA ILE 61 -9.179 3.035 -5.332 486 HB ILE 61 HB ILE 61 -8.767 3.445 -2.367 487 1HG1 ILE 61 2HG1 ILE 61 -6.805 3.608 -4.666 488 2HG1 ILE 61 1HG1 ILE 61 -7.316 4.940 -3.633 489 1HG2 ILE 61 1HG2 ILE 61 -9.034 1.089 -3.569 490 2HG2 ILE 61 2HG2 ILE 61 -7.892 1.351 -2.251 491 3HG2 ILE 61 3HG2 ILE 61 -7.329 1.372 -3.922 492 1HD1 ILE 61 1HD1 ILE 61 -5.566 4.509 -2.357 493 2HD1 ILE 61 2HD1 ILE 61 -5.216 3.024 -3.242 494 3HD1 ILE 61 3HD1 ILE 61 -6.347 2.999 -1.889 495 H GLN 62 H GLN 62 -10.707 1.538 -5.574 496 HA GLN 62 HA GLN 62 -13.034 1.600 -3.797 497 1HB GLN 62 2HB GLN 62 -12.573 0.425 -6.534 498 2HB GLN 62 1HB GLN 62 -14.002 0.049 -5.582 499 1HG GLN 62 2HG GLN 62 -13.672 2.872 -5.632 500 2HG GLN 62 1HG GLN 62 -13.546 2.258 -7.280 501 1HE2 GLN 62 1HE2 GLN 62 -15.641 3.848 -5.936 502 2HE2 GLN 62 2HE2 GLN 62 -17.106 2.961 -6.163 503 H LYS 63 H LYS 63 -14.069 -0.779 -3.715 504 HA LYS 63 HA LYS 63 -12.275 -2.284 -2.088 505 1HB LYS 63 2HB LYS 63 -14.123 -3.670 -1.590 506 2HB LYS 63 1HB LYS 63 -14.780 -2.049 -1.765 507 1HG LYS 63 2HG LYS 63 -14.767 -3.646 -4.227 508 2HG LYS 63 1HG LYS 63 -15.804 -4.260 -2.937 509 1HD LYS 63 2HD LYS 63 -16.663 -1.842 -2.763 510 2HD LYS 63 1HD LYS 63 -15.913 -1.611 -4.343 511 1HE LYS 63 2HE LYS 63 -17.381 -3.036 -5.397 512 2HE LYS 63 1HE LYS 63 -17.722 -3.942 -3.925 513 1HZ LYS 63 1HZ LYS 63 -18.644 -1.170 -4.455 514 2HZ LYS 63 2HZ LYS 63 -19.034 -2.116 -3.109 515 3HZ LYS 63 3HZ LYS 63 -19.596 -2.557 -4.642 516 H GLU 64 H GLU 64 -12.380 -2.085 -5.349 517 HA GLU 64 HA GLU 64 -11.347 -4.816 -5.632 518 1HB GLU 64 2HB GLU 64 -13.520 -3.500 -7.194 519 2HB GLU 64 1HB GLU 64 -12.408 -4.557 -8.054 520 1HG GLU 64 2HG GLU 64 -13.082 -6.040 -5.843 521 2HG GLU 64 1HG GLU 64 -14.584 -5.208 -6.243 522 H SER 65 H SER 65 -10.262 -1.977 -5.434 523 HA SER 65 HA SER 65 -9.055 -1.515 -8.013 524 1HB SER 65 2HB SER 65 -8.665 -0.193 -5.320 525 2HB SER 65 1HB SER 65 -7.831 0.310 -6.789 526 HG SER 65 HG SER 65 -10.516 0.081 -7.158 527 H THR 66 H THR 66 -6.834 -1.651 -8.492 528 HA THR 66 HA THR 66 -5.326 -3.461 -6.719 529 HB THR 66 HB THR 66 -5.185 -3.254 -9.732 530 HG1 THR 66 HG1 THR 66 -6.887 -4.548 -8.287 531 1HG2 THR 66 1HG2 THR 66 -3.572 -4.812 -7.730 532 2HG2 THR 66 2HG2 THR 66 -3.003 -3.787 -9.047 533 3HG2 THR 66 3HG2 THR 66 -3.742 -5.349 -9.401 534 H ILE 67 H ILE 67 -3.031 -3.185 -6.636 535 HA ILE 67 HA ILE 67 -2.007 -0.628 -7.637 536 HB ILE 67 HB ILE 67 -1.819 -1.536 -4.764 537 1HG1 ILE 67 2HG1 ILE 67 -2.786 0.876 -4.504 538 2HG1 ILE 67 1HG1 ILE 67 -3.265 0.676 -6.188 539 1HG2 ILE 67 1HG2 ILE 67 0.223 -0.589 -4.903 540 2HG2 ILE 67 2HG2 ILE 67 -0.698 0.908 -4.764 541 3HG2 ILE 67 3HG2 ILE 67 -0.183 0.334 -6.350 542 1HD1 ILE 67 1HD1 ILE 67 -4.990 -0.602 -5.635 543 2HD1 ILE 67 2HD1 ILE 67 -4.700 -0.096 -3.971 544 3HD1 ILE 67 3HD1 ILE 67 -4.007 -1.604 -4.568 545 H HIS 68 H HIS 68 0.186 -0.595 -8.068 546 HA HIS 68 HA HIS 68 1.478 -3.225 -8.066 547 1HB HIS 68 2HB HIS 68 2.738 -0.936 -9.471 548 2HB HIS 68 1HB HIS 68 2.583 -2.616 -9.970 549 HD1 HIS 68 HD1 HIS 68 1.794 0.205 -11.497 550 HD2 HIS 68 HD2 HIS 68 -0.717 -2.751 -10.009 551 HE1 HIS 68 HE1 HIS 68 -0.354 0.439 -12.782 552 HE2 HIS 68 HE2 HIS 68 -1.824 -1.423 -11.932 553 H LEU 69 H LEU 69 3.056 -3.671 -6.689 554 HA LEU 69 HA LEU 69 4.268 -1.467 -5.176 555 1HB LEU 69 2HB LEU 69 3.317 -3.048 -3.712 556 2HB LEU 69 1HB LEU 69 3.934 -4.403 -4.638 557 HG LEU 69 HG LEU 69 6.208 -3.910 -3.893 558 1HD1 LEU 69 1HD1 LEU 69 5.268 -1.370 -3.437 559 2HD1 LEU 69 2HD1 LEU 69 6.830 -2.003 -2.919 560 3HD1 LEU 69 3HD1 LEU 69 5.459 -2.020 -1.809 561 1HD2 LEU 69 1HD2 LEU 69 5.830 -4.324 -1.426 562 2HD2 LEU 69 2HD2 LEU 69 5.050 -5.456 -2.532 563 3HD2 LEU 69 3HD2 LEU 69 4.104 -4.183 -1.760 564 H VAL 70 H VAL 70 6.408 -1.036 -5.253 565 HA VAL 70 HA VAL 70 8.149 -2.896 -6.720 566 HB VAL 70 HB VAL 70 8.719 -0.016 -7.084 567 1HG1 VAL 70 1HG1 VAL 70 9.808 -2.248 -8.061 568 2HG1 VAL 70 2HG1 VAL 70 9.805 -0.723 -8.946 569 3HG1 VAL 70 3HG1 VAL 70 8.602 -1.958 -9.314 570 1HG2 VAL 70 1HG2 VAL 70 7.079 -0.303 -9.179 571 2HG2 VAL 70 2HG2 VAL 70 6.568 0.414 -7.651 572 3HG2 VAL 70 3HG2 VAL 70 6.205 -1.278 -7.998 573 H LEU 71 H LEU 71 10.061 -3.267 -5.777 574 HA LEU 71 HA LEU 71 10.593 -2.301 -3.178 575 1HB LEU 71 2HB LEU 71 11.843 -4.134 -5.085 576 2HB LEU 71 1HB LEU 71 12.998 -3.299 -4.064 577 HG LEU 71 HG LEU 71 10.790 -5.162 -3.233 578 1HD1 LEU 71 1HD1 LEU 71 13.356 -5.481 -1.972 579 2HD1 LEU 71 2HD1 LEU 71 13.518 -5.489 -3.728 580 3HD1 LEU 71 3HD1 LEU 71 12.430 -6.629 -2.938 581 1HD2 LEU 71 1HD2 LEU 71 10.458 -3.648 -1.568 582 2HD2 LEU 71 2HD2 LEU 71 12.085 -2.979 -1.696 583 3HD2 LEU 71 3HD2 LEU 71 11.826 -4.523 -0.880 584 H ARG 72 H ARG 72 11.661 -1.310 -6.357 585 HA ARG 72 HA ARG 72 12.367 0.854 -6.895 586 1HB ARG 72 2HB ARG 72 11.931 1.541 -4.482 587 2HB ARG 72 1HB ARG 72 13.595 1.081 -4.151 588 1HG ARG 72 2HG ARG 72 14.153 2.688 -6.114 589 2HG ARG 72 1HG ARG 72 12.548 3.345 -5.788 590 1HD ARG 72 2HD ARG 72 13.776 3.075 -3.288 591 2HD ARG 72 1HD ARG 72 15.016 3.733 -4.353 592 HE ARG 72 HE ARG 72 12.723 5.094 -3.357 593 1HH1 ARG 72 2HH1 ARG 72 14.846 4.855 -6.106 594 2HH1 ARG 72 1HH1 ARG 72 14.565 6.483 -6.629 595 1HH2 ARG 72 1HH2 ARG 72 12.346 7.240 -4.034 596 2HH2 ARG 72 2HH2 ARG 72 13.145 7.840 -5.448 597 H LEU 73 H LEU 73 13.713 -0.072 -8.373 598 HA LEU 73 HA LEU 73 15.748 -0.418 -9.354 599 1HB LEU 73 2HB LEU 73 16.410 1.047 -7.074 600 2HB LEU 73 1HB LEU 73 17.462 -0.355 -7.018 601 HG LEU 73 HG LEU 73 18.263 0.172 -9.295 602 1HD1 LEU 73 1HD1 LEU 73 16.019 1.527 -9.687 603 2HD1 LEU 73 2HD1 LEU 73 17.502 1.901 -10.563 604 3HD1 LEU 73 3HD1 LEU 73 17.036 2.870 -9.165 605 1HD2 LEU 73 1HD2 LEU 73 19.128 2.607 -8.475 606 2HD2 LEU 73 2HD2 LEU 73 19.816 1.071 -7.950 607 3HD2 LEU 73 3HD2 LEU 73 18.620 1.892 -6.947 608 H ARG 74 H ARG 74 14.078 -2.428 -7.881 609 HA ARG 74 HA ARG 74 14.119 -4.635 -7.316 610 1HB ARG 74 2HB ARG 74 15.470 -4.329 -9.684 611 2HB ARG 74 1HB ARG 74 16.634 -5.220 -8.714 612 1HG ARG 74 2HG ARG 74 15.520 -7.106 -9.018 613 2HG ARG 74 1HG ARG 74 14.031 -6.378 -8.411 614 1HD ARG 74 2HD ARG 74 13.615 -7.141 -10.633 615 2HD ARG 74 1HD ARG 74 13.687 -5.381 -10.673 616 HE ARG 74 HE ARG 74 16.226 -6.167 -11.266 617 1HH1 ARG 74 2HH1 ARG 74 13.077 -6.865 -12.578 618 2HH1 ARG 74 1HH1 ARG 74 13.659 -7.113 -14.190 619 1HH2 ARG 74 1HH2 ARG 74 17.006 -6.491 -13.387 620 2HH2 ARG 74 2HH2 ARG 74 15.893 -6.901 -14.651 621 H GLY 75 H GLY 75 16.021 -6.485 -6.796 622 1HA GLY 75 2HA GLY 75 17.641 -5.247 -4.656 623 2HA GLY 75 1HA GLY 75 16.760 -6.749 -4.419 624 H GLY 76 HN GLY 76 19.260 -5.290 -6.488 625 1HA GLY 76 2HA GLY 76 20.320 -7.883 -7.199 626 2HA GLY 76 1HA GLY 76 20.972 -6.322 -7.671 Start of MODEL 12 1 2H MET 1 2H MET 1 -14.211 -2.305 2.846 2 3H MET 1 3H MET 1 -12.534 -2.269 3.067 3 1H MET 1 1H MET 1 -13.408 -3.669 3.441 4 HA MET 1 HA MET 1 -13.946 -4.045 1.166 5 1HB MET 1 2HB MET 1 -13.032 -2.570 -0.589 6 2HB MET 1 1HB MET 1 -14.163 -1.727 0.461 7 1HG MET 1 2HG MET 1 -12.149 -0.892 1.738 8 2HG MET 1 1HG MET 1 -11.171 -1.510 0.408 9 1HE MET 1 1HE MET 1 -10.636 1.641 0.691 10 2HE MET 1 2HE MET 1 -10.711 1.814 -1.062 11 3HE MET 1 3HE MET 1 -10.061 0.338 -0.348 12 H GLN 2 H GLN 2 -12.682 -5.504 0.140 13 HA GLN 2 HA GLN 2 -9.936 -5.756 1.123 14 1HB GLN 2 2HB GLN 2 -11.830 -7.624 1.076 15 2HB GLN 2 1HB GLN 2 -11.204 -7.872 -0.548 16 1HG GLN 2 2HG GLN 2 -9.511 -9.042 0.250 17 2HG GLN 2 1HG GLN 2 -9.013 -7.688 1.264 18 1HE2 GLN 2 1HE2 GLN 2 -9.138 -10.666 1.664 19 2HE2 GLN 2 2HE2 GLN 2 -9.984 -10.863 3.158 20 H VAL 3 H VAL 3 -8.394 -4.941 -0.086 21 HA VAL 3 HA VAL 3 -8.757 -4.752 -2.990 22 HB VAL 3 HB VAL 3 -6.980 -3.144 -3.014 23 1HG1 VAL 3 1HG1 VAL 3 -8.681 -2.535 -0.603 24 2HG1 VAL 3 2HG1 VAL 3 -9.244 -2.407 -2.269 25 3HG1 VAL 3 3HG1 VAL 3 -7.926 -1.381 -1.703 26 1HG2 VAL 3 1HG2 VAL 3 -5.966 -2.487 -0.731 27 2HG2 VAL 3 2HG2 VAL 3 -5.355 -3.926 -1.548 28 3HG2 VAL 3 3HG2 VAL 3 -6.496 -4.087 -0.212 29 H PHE 4 H PHE 4 -6.600 -4.983 -4.243 30 HA PHE 4 HA PHE 4 -5.162 -7.344 -3.234 31 1HB PHE 4 2HB PHE 4 -5.663 -6.868 -6.160 32 2HB PHE 4 1HB PHE 4 -5.198 -8.363 -5.355 33 HD1 PHE 4 HD1 PHE 4 -7.925 -6.280 -6.452 34 HD2 PHE 4 HD2 PHE 4 -6.877 -9.568 -3.949 35 HE1 PHE 4 HE1 PHE 4 -10.294 -6.952 -6.350 36 HE2 PHE 4 HE2 PHE 4 -9.244 -10.247 -3.843 37 HZ PHE 4 HZ PHE 4 -10.956 -8.938 -5.045 38 H LEU 5 H LEU 5 -2.983 -7.336 -3.386 39 HA LEU 5 HA LEU 5 -1.743 -5.001 -4.689 40 1HB LEU 5 2HB LEU 5 -1.595 -5.094 -2.184 41 2HB LEU 5 1HB LEU 5 -0.652 -6.562 -2.349 42 HG LEU 5 HG LEU 5 0.750 -4.856 -3.948 43 1HD1 LEU 5 1HD1 LEU 5 -0.631 -3.268 -1.829 44 2HD1 LEU 5 2HD1 LEU 5 -0.304 -2.850 -3.510 45 3HD1 LEU 5 3HD1 LEU 5 1.006 -2.842 -2.329 46 1HD2 LEU 5 1HD2 LEU 5 1.897 -6.216 -2.442 47 2HD2 LEU 5 2HD2 LEU 5 1.005 -5.594 -1.054 48 3HD2 LEU 5 3HD2 LEU 5 2.209 -4.583 -1.852 49 H LYS 6 H LYS 6 -0.205 -5.358 -6.189 50 HA LYS 6 HA LYS 6 0.517 -8.157 -6.716 51 1HB LYS 6 2HB LYS 6 -0.205 -5.919 -8.400 52 2HB LYS 6 1HB LYS 6 1.346 -6.591 -8.882 53 1HG LYS 6 2HG LYS 6 0.441 -8.531 -9.601 54 2HG LYS 6 1HG LYS 6 -0.825 -8.525 -8.371 55 1HD LYS 6 2HD LYS 6 -1.925 -6.666 -9.629 56 2HD LYS 6 1HD LYS 6 -0.735 -6.904 -10.909 57 1HE LYS 6 2HE LYS 6 -2.272 -9.262 -9.947 58 2HE LYS 6 1HE LYS 6 -3.098 -8.088 -10.971 59 1HZ LYS 6 1HZ LYS 6 -0.685 -9.678 -11.623 60 2HZ LYS 6 2HZ LYS 6 -1.191 -8.362 -12.554 61 3HZ LYS 6 3HZ LYS 6 -2.192 -9.716 -12.393 62 H THR 7 H THR 7 2.626 -8.789 -7.006 63 HA THR 7 HA THR 7 4.641 -6.927 -5.962 64 HB THR 7 HB THR 7 5.890 -8.739 -5.211 65 HG1 THR 7 HG1 THR 7 5.098 -10.961 -6.055 66 1HG2 THR 7 1HG2 THR 7 4.099 -10.454 -4.355 67 2HG2 THR 7 2HG2 THR 7 2.958 -9.272 -4.996 68 3HG2 THR 7 3HG2 THR 7 4.108 -8.799 -3.746 69 H LEU 8 H LEU 8 6.959 -7.928 -6.867 70 HA LEU 8 HA LEU 8 6.997 -7.038 -9.593 71 1HB LEU 8 2HB LEU 8 9.316 -8.338 -8.205 72 2HB LEU 8 1HB LEU 8 9.331 -7.091 -9.439 73 HG LEU 8 HG LEU 8 8.330 -6.636 -6.630 74 1HD1 LEU 8 1HD1 LEU 8 10.431 -6.543 -5.935 75 2HD1 LEU 8 2HD1 LEU 8 10.752 -5.268 -7.111 76 3HD1 LEU 8 3HD1 LEU 8 11.008 -6.958 -7.549 77 1HD2 LEU 8 1HD2 LEU 8 9.328 -4.356 -8.092 78 2HD2 LEU 8 2HD2 LEU 8 7.765 -4.597 -7.312 79 3HD2 LEU 8 3HD2 LEU 8 8.020 -5.155 -8.965 80 H THR 9 H THR 9 6.245 -9.959 -8.231 81 HA THR 9 HA THR 9 7.362 -11.523 -10.451 82 HB THR 9 HB THR 9 6.837 -13.513 -9.159 83 HG1 THR 9 HG1 THR 9 5.911 -13.292 -7.075 84 1HG2 THR 9 1HG2 THR 9 8.659 -11.476 -8.339 85 2HG2 THR 9 2HG2 THR 9 8.818 -13.226 -8.182 86 3HG2 THR 9 3HG2 THR 9 8.043 -12.294 -6.902 87 H GLY 10 H GLY 10 4.439 -10.200 -9.231 88 1HA GLY 10 2HA GLY 10 2.503 -10.005 -10.605 89 2HA GLY 10 1HA GLY 10 2.977 -11.482 -11.431 90 H LYS 11 H LYS 11 2.938 -11.129 -7.943 91 HA LYS 11 HA LYS 11 0.947 -13.263 -7.800 92 1HB LYS 11 2HB LYS 11 2.869 -13.724 -6.488 93 2HB LYS 11 1HB LYS 11 2.881 -12.106 -5.799 94 1HG LYS 11 2HG LYS 11 0.875 -12.591 -4.540 95 2HG LYS 11 1HG LYS 11 0.765 -14.187 -5.286 96 1HD LYS 11 2HD LYS 11 2.498 -15.035 -4.057 97 2HD LYS 11 1HD LYS 11 3.287 -13.465 -3.888 98 1HE LYS 11 2HE LYS 11 2.195 -12.993 -1.986 99 2HE LYS 11 1HE LYS 11 0.666 -13.617 -2.602 100 1HZ LYS 11 1HZ LYS 11 2.881 -15.156 -1.374 101 2HZ LYS 11 2HZ LYS 11 1.598 -15.889 -2.196 102 3HZ LYS 11 3HZ LYS 11 1.299 -14.982 -0.800 103 H THR 12 H THR 12 -1.025 -13.047 -6.831 104 HA THR 12 HA THR 12 -1.867 -10.301 -6.248 105 HB THR 12 HB THR 12 -3.716 -12.659 -6.548 106 HG1 THR 12 HG1 THR 12 -2.768 -12.692 -8.504 107 1HG2 THR 12 1HG2 THR 12 -4.481 -10.005 -7.530 108 2HG2 THR 12 2HG2 THR 12 -4.184 -10.073 -5.793 109 3HG2 THR 12 3HG2 THR 12 -5.379 -11.144 -6.527 110 H VAL 13 H VAL 13 -1.966 -9.703 -4.196 111 HA VAL 13 HA VAL 13 -2.486 -11.752 -2.143 112 HB VAL 13 HB VAL 13 -1.557 -9.830 -0.614 113 1HG1 VAL 13 1HG1 VAL 13 0.527 -11.171 -2.276 114 2HG1 VAL 13 2HG1 VAL 13 -0.581 -12.151 -1.314 115 3HG1 VAL 13 3HG1 VAL 13 0.451 -10.957 -0.527 116 1HG2 VAL 13 1HG2 VAL 13 -1.464 -8.333 -2.731 117 2HG2 VAL 13 2HG2 VAL 13 0.039 -9.197 -3.061 118 3HG2 VAL 13 3HG2 VAL 13 -0.138 -8.274 -1.569 119 H THR 14 H THR 14 -3.988 -11.335 -0.510 120 HA THR 14 HA THR 14 -5.940 -9.248 -1.184 121 HB THR 14 HB THR 14 -7.001 -10.915 0.827 122 HG1 THR 14 HG1 THR 14 -5.856 -12.429 -1.301 123 1HG2 THR 14 1HG2 THR 14 -8.046 -9.758 -1.224 124 2HG2 THR 14 2HG2 THR 14 -8.693 -11.323 -0.735 125 3HG2 THR 14 3HG2 THR 14 -7.584 -11.216 -2.103 126 H ILE 15 H ILE 15 -6.052 -7.491 0.031 127 HA ILE 15 HA ILE 15 -5.355 -7.668 2.879 128 HB ILE 15 HB ILE 15 -4.509 -5.339 1.166 129 1HG1 ILE 15 2HG1 ILE 15 -2.836 -7.689 2.085 130 2HG1 ILE 15 1HG1 ILE 15 -3.325 -7.368 0.424 131 1HG2 ILE 15 1HG2 ILE 15 -3.334 -4.580 3.037 132 2HG2 ILE 15 2HG2 ILE 15 -3.420 -6.147 3.840 133 3HG2 ILE 15 3HG2 ILE 15 -4.868 -5.152 3.695 134 1HD1 ILE 15 1HD1 ILE 15 -1.034 -6.698 0.781 135 2HD1 ILE 15 2HD1 ILE 15 -1.525 -5.647 2.110 136 3HD1 ILE 15 3HD1 ILE 15 -2.039 -5.285 0.462 137 H GLU 16 H GLU 16 -6.451 -6.238 4.234 138 HA GLU 16 HA GLU 16 -8.844 -5.040 3.032 139 1HB GLU 16 2HB GLU 16 -9.959 -5.387 5.033 140 2HB GLU 16 1HB GLU 16 -8.880 -6.774 4.976 141 1HG GLU 16 2HG GLU 16 -7.291 -5.500 6.415 142 2HG GLU 16 1HG GLU 16 -8.529 -4.256 6.581 143 H VAL 17 H VAL 17 -9.065 -2.906 2.911 144 HA VAL 17 HA VAL 17 -7.605 -1.195 4.786 145 HB VAL 17 HB VAL 17 -6.795 0.276 3.059 146 1HG1 VAL 17 1HG1 VAL 17 -5.164 -1.300 3.496 147 2HG1 VAL 17 2HG1 VAL 17 -5.347 -1.439 1.748 148 3HG1 VAL 17 3HG1 VAL 17 -6.108 -2.623 2.811 149 1HG2 VAL 17 1HG2 VAL 17 -8.820 -0.524 1.524 150 2HG2 VAL 17 2HG2 VAL 17 -7.551 -1.540 0.841 151 3HG2 VAL 17 3HG2 VAL 17 -7.363 0.213 0.859 152 H GLU 18 H GLU 18 -8.364 1.090 4.685 153 HA GLU 18 HA GLU 18 -11.193 1.239 3.872 154 1HB GLU 18 2HB GLU 18 -9.958 2.537 6.308 155 2HB GLU 18 1HB GLU 18 -11.653 2.593 5.839 156 1HG GLU 18 2HG GLU 18 -12.081 0.519 6.615 157 2HG GLU 18 1HG GLU 18 -10.481 -0.091 6.193 158 HA PRO 19 HA PRO 19 -10.314 4.809 1.461 159 1HB PRO 19 2HB PRO 19 -12.675 6.054 2.776 160 2HB PRO 19 1HB PRO 19 -12.330 5.834 1.058 161 1HG PRO 19 2HG PRO 19 -14.125 4.300 2.294 162 2HG PRO 19 1HG PRO 19 -13.040 3.626 1.062 163 1HD PRO 19 2HD PRO 19 -12.921 3.376 4.037 164 2HD PRO 19 1HD PRO 19 -12.527 2.180 2.786 165 H SER 20 H SER 20 -10.984 5.179 4.887 166 HA SER 20 HA SER 20 -9.850 7.829 5.024 167 1HB SER 20 2HB SER 20 -10.411 7.788 7.331 168 2HB SER 20 1HB SER 20 -11.719 6.932 6.514 169 HG SER 20 HG SER 20 -10.873 5.002 7.200 170 H ASP 21 H ASP 21 -8.374 5.095 4.383 171 HA ASP 21 HA ASP 21 -6.240 5.235 6.355 172 1HB ASP 21 2HB ASP 21 -6.834 3.386 4.055 173 2HB ASP 21 1HB ASP 21 -5.279 3.355 4.879 174 H THR 22 H THR 22 -4.155 5.878 5.954 175 HA THR 22 HA THR 22 -3.791 7.523 3.559 176 HB THR 22 HB THR 22 -1.614 8.144 4.919 177 HG1 THR 22 HG1 THR 22 -2.069 6.537 6.560 178 1HG2 THR 22 1HG2 THR 22 -3.042 9.831 6.219 179 2HG2 THR 22 2HG2 THR 22 -4.428 9.067 5.440 180 3HG2 THR 22 3HG2 THR 22 -3.179 9.837 4.460 181 H VAL 23 H VAL 23 -1.800 7.431 2.356 182 HA VAL 23 HA VAL 23 -1.063 4.995 1.396 183 HB VAL 23 HB VAL 23 0.596 7.501 1.622 184 1HG1 VAL 23 1HG1 VAL 23 2.168 6.523 0.032 185 2HG1 VAL 23 2HG1 VAL 23 1.294 4.993 0.098 186 3HG1 VAL 23 3HG1 VAL 23 2.126 5.596 1.532 187 1HG2 VAL 23 1HG2 VAL 23 0.171 7.502 -0.869 188 2HG2 VAL 23 2HG2 VAL 23 -1.234 7.783 0.158 189 3HG2 VAL 23 3HG2 VAL 23 -0.987 6.204 -0.582 190 H GLU 24 H GLU 24 0.399 6.680 4.147 191 HA GLU 24 HA GLU 24 2.513 4.940 4.646 192 1HB GLU 24 2HB GLU 24 2.375 5.759 6.999 193 2HB GLU 24 1HB GLU 24 2.377 7.046 5.799 194 1HG GLU 24 2HG GLU 24 -0.086 7.180 6.008 195 2HG GLU 24 1HG GLU 24 -0.004 5.985 7.302 196 H ASN 25 H ASN 25 -0.780 4.883 6.001 197 HA ASN 25 HA ASN 25 -0.552 2.650 7.613 198 1HB ASN 25 2HB ASN 25 -2.593 4.315 6.933 199 2HB ASN 25 1HB ASN 25 -3.087 2.837 6.111 200 1HD2 ASN 25 1HD2 ASN 25 -4.511 3.983 8.209 201 2HD2 ASN 25 2HD2 ASN 25 -4.460 2.909 9.561 202 H PHE 26 H PHE 26 -1.497 2.778 4.184 203 HA PHE 26 HA PHE 26 -1.927 0.080 3.749 204 1HB PHE 26 2HB PHE 26 -2.307 2.006 2.130 205 2HB PHE 26 1HB PHE 26 -0.593 1.899 1.742 206 HD1 PHE 26 HD1 PHE 26 -2.775 -0.989 2.471 207 HD2 PHE 26 HD2 PHE 26 -0.793 1.292 -0.538 208 HE1 PHE 26 HE1 PHE 26 -3.261 -2.753 0.821 209 HE2 PHE 26 HE2 PHE 26 -1.278 -0.467 -2.196 210 HZ PHE 26 HZ PHE 26 -2.513 -2.492 -1.516 211 H LYS 27 H LYS 27 1.112 1.896 3.612 212 HA LYS 27 HA LYS 27 2.748 -0.223 2.751 213 1HB LYS 27 2HB LYS 27 3.281 2.338 4.229 214 2HB LYS 27 1HB LYS 27 4.574 1.182 3.941 215 1HG LYS 27 2HG LYS 27 3.834 1.317 1.472 216 2HG LYS 27 1HG LYS 27 3.021 2.802 1.969 217 1HD LYS 27 2HD LYS 27 5.422 3.234 3.071 218 2HD LYS 27 1HD LYS 27 5.909 2.205 1.723 219 1HE LYS 27 2HE LYS 27 4.017 4.148 0.808 220 2HE LYS 27 1HE LYS 27 5.316 4.960 1.681 221 1HZ LYS 27 1HZ LYS 27 5.362 3.853 -0.908 222 2HZ LYS 27 2HZ LYS 27 6.500 3.050 0.050 223 3HZ LYS 27 3HZ LYS 27 6.569 4.732 -0.111 224 H ALA 28 H ALA 28 1.524 0.676 5.894 225 HA ALA 28 HA ALA 28 3.297 -0.887 7.456 226 1HB ALA 28 1HB ALA 28 0.482 -0.016 8.105 227 2HB ALA 28 2HB ALA 28 1.939 0.935 8.390 228 3HB ALA 28 3HB ALA 28 1.692 -0.581 9.256 229 H LYS 29 H LYS 29 0.089 -1.517 6.086 230 HA LYS 29 HA LYS 29 -0.260 -4.079 7.196 231 1HB LYS 29 2HB LYS 29 -1.447 -2.606 4.879 232 2HB LYS 29 1HB LYS 29 -1.769 -4.327 5.049 233 1HG LYS 29 2HG LYS 29 -3.022 -4.049 6.942 234 2HG LYS 29 1HG LYS 29 -2.196 -2.558 7.402 235 1HD LYS 29 2HD LYS 29 -3.626 -2.355 4.867 236 2HD LYS 29 1HD LYS 29 -4.678 -2.724 6.235 237 1HE LYS 29 2HE LYS 29 -2.638 -0.548 6.452 238 2HE LYS 29 1HE LYS 29 -4.167 -0.246 5.628 239 1HZ LYS 29 1HZ LYS 29 -4.194 0.343 8.008 240 2HZ LYS 29 2HZ LYS 29 -3.944 -1.283 8.400 241 3HZ LYS 29 3HZ LYS 29 -5.361 -0.814 7.604 242 H ILE 30 H ILE 30 1.084 -3.021 4.090 243 HA ILE 30 HA ILE 30 1.526 -5.543 2.970 244 HB ILE 30 HB ILE 30 3.148 -3.024 2.580 245 1HG1 ILE 30 2HG1 ILE 30 0.912 -4.125 0.870 246 2HG1 ILE 30 1HG1 ILE 30 0.674 -2.885 2.098 247 1HG2 ILE 30 1HG2 ILE 30 3.703 -4.085 0.375 248 2HG2 ILE 30 2HG2 ILE 30 3.015 -5.583 1.001 249 3HG2 ILE 30 3HG2 ILE 30 4.424 -4.866 1.782 250 1HD1 ILE 30 1HD1 ILE 30 1.118 -2.343 -0.477 251 2HD1 ILE 30 2HD1 ILE 30 2.782 -2.359 0.108 252 3HD1 ILE 30 3HD1 ILE 30 1.602 -1.269 0.836 253 H GLN 31 H GLN 31 3.489 -3.616 5.176 254 HA GLN 31 HA GLN 31 5.871 -5.030 5.073 255 1HB GLN 31 2HB GLN 31 5.495 -2.898 6.307 256 2HB GLN 31 1HB GLN 31 4.633 -3.804 7.543 257 1HG GLN 31 2HG GLN 31 7.048 -5.135 7.288 258 2HG GLN 31 1HG GLN 31 7.472 -3.427 7.162 259 1HE2 GLN 31 1HE2 GLN 31 7.381 -2.156 8.938 260 2HE2 GLN 31 2HE2 GLN 31 6.964 -2.723 10.515 261 H ASP 32 H ASP 32 3.056 -5.606 7.171 262 HA ASP 32 HA ASP 32 4.161 -7.861 8.476 263 1HB ASP 32 2HB ASP 32 2.371 -6.801 9.589 264 2HB ASP 32 1HB ASP 32 1.347 -6.837 8.155 265 H LYS 33 H LYS 33 2.935 -7.453 5.340 266 HA LYS 33 HA LYS 33 2.243 -10.279 5.048 267 1HB LYS 33 2HB LYS 33 1.686 -7.802 3.506 268 2HB LYS 33 1HB LYS 33 1.791 -9.304 2.599 269 1HG LYS 33 2HG LYS 33 0.171 -10.051 4.636 270 2HG LYS 33 1HG LYS 33 -0.275 -8.353 4.451 271 1HD LYS 33 2HD LYS 33 -0.993 -8.651 2.257 272 2HD LYS 33 1HD LYS 33 -0.071 -10.144 2.057 273 1HE LYS 33 2HE LYS 33 -1.737 -10.818 4.093 274 2HE LYS 33 1HE LYS 33 -2.753 -9.706 3.176 275 1HZ LYS 33 1HZ LYS 33 -1.889 -12.370 2.517 276 2HZ LYS 33 2HZ LYS 33 -1.678 -11.269 1.252 277 3HZ LYS 33 3HZ LYS 33 -3.210 -11.486 1.935 278 H GLU 34 H GLU 34 4.352 -7.857 3.491 279 HA GLU 34 HA GLU 34 5.851 -10.038 2.234 280 1HB GLU 34 2HB GLU 34 6.178 -7.076 1.761 281 2HB GLU 34 1HB GLU 34 6.785 -8.391 0.765 282 1HG GLU 34 2HG GLU 34 3.953 -7.469 1.103 283 2HG GLU 34 1HG GLU 34 4.924 -7.520 -0.367 284 H GLY 35 H GLY 35 6.069 -7.763 4.798 285 1HA GLY 35 2HA GLY 35 7.696 -7.453 6.396 286 2HA GLY 35 1HA GLY 35 8.496 -8.879 5.755 287 H ILE 36 H ILE 36 7.748 -5.833 4.114 288 HA ILE 36 HA ILE 36 10.645 -5.409 3.770 289 HB ILE 36 HB ILE 36 8.539 -4.512 1.810 290 1HG1 ILE 36 2HG1 ILE 36 10.276 -6.987 1.648 291 2HG1 ILE 36 1HG1 ILE 36 8.550 -6.989 2.006 292 1HG2 ILE 36 1HG2 ILE 36 11.391 -4.143 2.085 293 2HG2 ILE 36 2HG2 ILE 36 10.252 -3.354 0.992 294 3HG2 ILE 36 3HG2 ILE 36 10.984 -4.895 0.543 295 1HD1 ILE 36 1HD1 ILE 36 8.513 -7.447 -0.221 296 2HD1 ILE 36 2HD1 ILE 36 9.957 -6.493 -0.557 297 3HD1 ILE 36 3HD1 ILE 36 8.415 -5.687 -0.270 298 HA PRO 37 HA PRO 37 9.958 -1.672 6.108 299 1HB PRO 37 2HB PRO 37 12.433 -0.881 4.651 300 2HB PRO 37 1HB PRO 37 12.077 -0.821 6.381 301 1HG PRO 37 2HG PRO 37 13.672 -2.709 5.385 302 2HG PRO 37 1HG PRO 37 12.520 -3.080 6.681 303 1HD PRO 37 2HD PRO 37 12.370 -3.718 3.769 304 2HD PRO 37 1HD PRO 37 11.826 -4.671 5.164 305 HA PRO 38 HA PRO 38 7.730 0.796 3.159 306 1HB PRO 38 2HB PRO 38 8.377 2.929 5.144 307 2HB PRO 38 1HB PRO 38 6.823 2.497 4.423 308 1HG PRO 38 2HG PRO 38 7.394 1.789 6.923 309 2HG PRO 38 1HG PRO 38 6.520 0.685 5.845 310 1HD PRO 38 2HD PRO 38 9.368 0.614 6.730 311 2HD PRO 38 1HD PRO 38 8.253 -0.728 6.403 312 H ASP 39 H ASP 39 10.841 1.742 4.498 313 HA ASP 39 HA ASP 39 11.427 3.931 2.885 314 1HB ASP 39 2HB ASP 39 12.997 1.971 4.450 315 2HB ASP 39 1HB ASP 39 13.880 2.823 3.185 316 H GLN 40 H GLN 40 11.304 0.565 2.115 317 HA GLN 40 HA GLN 40 12.432 1.134 -0.548 318 1HB GLN 40 2HB GLN 40 12.210 -1.652 0.512 319 2HB GLN 40 1HB GLN 40 13.348 -0.990 -0.653 320 1HG GLN 40 2HG GLN 40 14.592 0.094 1.069 321 2HG GLN 40 1HG GLN 40 13.369 -0.304 2.275 322 1HE2 GLN 40 1HE2 GLN 40 15.543 -1.847 -0.060 323 2HE2 GLN 40 2HE2 GLN 40 15.918 -3.213 0.930 324 H GLN 41 H GLN 41 9.606 1.260 0.653 325 HA GLN 41 HA GLN 41 8.260 -0.650 -1.116 326 1HB GLN 41 2HB GLN 41 7.438 0.902 1.302 327 2HB GLN 41 1HB GLN 41 6.201 0.422 0.149 328 1HG GLN 41 2HG GLN 41 7.131 -1.936 0.382 329 2HG GLN 41 1HG GLN 41 8.001 -1.325 1.790 330 1HE2 GLN 41 1HE2 GLN 41 6.935 -2.467 3.328 331 2HE2 GLN 41 2HE2 GLN 41 5.260 -2.259 3.694 332 H ARG 42 H ARG 42 7.063 -0.042 -2.839 333 HA ARG 42 HA ARG 42 6.642 2.824 -3.308 334 1HB ARG 42 2HB ARG 42 7.986 0.855 -5.139 335 2HB ARG 42 1HB ARG 42 7.182 2.283 -5.777 336 1HG ARG 42 2HG ARG 42 8.944 2.975 -3.602 337 2HG ARG 42 1HG ARG 42 9.801 2.092 -4.867 338 1HD ARG 42 2HD ARG 42 9.994 4.237 -5.649 339 2HD ARG 42 1HD ARG 42 8.511 3.728 -6.454 340 HE ARG 42 HE ARG 42 7.465 5.411 -5.345 341 1HH1 ARG 42 2HH1 ARG 42 10.180 4.373 -3.428 342 2HH1 ARG 42 1HH1 ARG 42 9.910 5.541 -2.177 343 1HH2 ARG 42 1HH2 ARG 42 7.097 6.952 -3.704 344 2HH2 ARG 42 2HH2 ARG 42 8.157 7.006 -2.334 345 H LEU 43 H LEU 43 4.469 2.870 -3.132 346 HA LEU 43 HA LEU 43 2.893 0.840 -4.538 347 1HB LEU 43 2HB LEU 43 1.857 2.971 -2.682 348 2HB LEU 43 1HB LEU 43 1.039 1.510 -3.201 349 HG LEU 43 HG LEU 43 3.492 1.557 -1.443 350 1HD1 LEU 43 1HD1 LEU 43 0.936 2.308 -0.734 351 2HD1 LEU 43 2HD1 LEU 43 2.202 1.752 0.362 352 3HD1 LEU 43 3HD1 LEU 43 1.014 0.610 -0.264 353 1HD2 LEU 43 1HD2 LEU 43 1.640 -0.758 -1.698 354 2HD2 LEU 43 2HD2 LEU 43 3.364 -0.724 -1.324 355 3HD2 LEU 43 3HD2 LEU 43 2.816 -0.471 -2.981 356 H ILE 44 H ILE 44 2.426 1.326 -6.574 357 HA ILE 44 HA ILE 44 1.750 4.118 -7.235 358 HB ILE 44 HB ILE 44 2.965 1.955 -8.950 359 1HG1 ILE 44 2HG1 ILE 44 4.667 3.812 -9.320 360 2HG1 ILE 44 1HG1 ILE 44 3.872 4.676 -8.008 361 1HG2 ILE 44 1HG2 ILE 44 1.410 2.923 -10.403 362 2HG2 ILE 44 2HG2 ILE 44 2.911 3.789 -10.736 363 3HG2 ILE 44 3HG2 ILE 44 1.662 4.538 -9.742 364 1HD1 ILE 44 1HD1 ILE 44 5.899 2.737 -7.842 365 2HD1 ILE 44 2HD1 ILE 44 4.443 2.024 -7.147 366 3HD1 ILE 44 3HD1 ILE 44 5.059 3.555 -6.525 367 H PHE 45 H PHE 45 -0.255 4.534 -7.912 368 HA PHE 45 HA PHE 45 -1.876 2.349 -9.012 369 1HB PHE 45 2HB PHE 45 -2.384 2.646 -6.577 370 2HB PHE 45 1HB PHE 45 -2.894 4.294 -6.931 371 HD1 PHE 45 HD1 PHE 45 -3.513 1.043 -8.662 372 HD2 PHE 45 HD2 PHE 45 -5.174 4.443 -6.697 373 HE1 PHE 45 HE1 PHE 45 -5.781 0.227 -9.177 374 HE2 PHE 45 HE2 PHE 45 -7.445 3.634 -7.207 375 HZ PHE 45 HZ PHE 45 -7.751 1.523 -8.449 376 H ALA 46 H ALA 46 -3.080 2.907 -10.731 377 HA ALA 46 HA ALA 46 -3.770 4.144 -12.519 378 1HB ALA 46 1HB ALA 46 -4.675 6.524 -11.467 379 2HB ALA 46 2HB ALA 46 -4.789 5.408 -10.106 380 3HB ALA 46 3HB ALA 46 -5.608 5.035 -11.623 381 H GLY 47 H GLY 47 -1.030 4.326 -12.128 382 1HA GLY 47 2HA GLY 47 0.784 5.556 -12.808 383 2HA GLY 47 1HA GLY 47 -0.362 6.562 -13.680 384 H LYS 48 H LYS 48 -0.514 6.152 -10.217 385 HA LYS 48 HA LYS 48 0.639 8.831 -9.848 386 1HB LYS 48 2HB LYS 48 -2.101 8.043 -9.454 387 2HB LYS 48 1HB LYS 48 -1.393 8.520 -7.916 388 1HG LYS 48 2HG LYS 48 -0.906 10.294 -10.234 389 2HG LYS 48 1HG LYS 48 -2.541 10.252 -9.570 390 1HD LYS 48 2HD LYS 48 -1.000 10.423 -7.314 391 2HD LYS 48 1HD LYS 48 -0.087 11.402 -8.464 392 1HE LYS 48 2HE LYS 48 -2.985 11.868 -8.479 393 2HE LYS 48 1HE LYS 48 -2.179 12.298 -6.971 394 1HZ LYS 48 1HZ LYS 48 -0.632 13.243 -9.108 395 2HZ LYS 48 2HZ LYS 48 -1.444 14.138 -7.926 396 3HZ LYS 48 3HZ LYS 48 -2.232 13.732 -9.368 397 H GLN 49 H GLN 49 2.180 8.859 -8.353 398 HA GLN 49 HA GLN 49 2.780 6.532 -6.810 399 1HB GLN 49 2HB GLN 49 4.221 8.706 -7.704 400 2HB GLN 49 1HB GLN 49 4.110 9.001 -5.974 401 1HG GLN 49 2HG GLN 49 5.146 6.916 -5.474 402 2HG GLN 49 1HG GLN 49 5.060 6.408 -7.161 403 1HE2 GLN 49 1HE2 GLN 49 6.599 8.591 -4.902 404 2HE2 GLN 49 2HE2 GLN 49 7.989 8.926 -5.873 405 H LEU 50 H LEU 50 2.201 6.030 -4.795 406 HA LEU 50 HA LEU 50 0.289 7.644 -3.416 407 1HB LEU 50 2HB LEU 50 1.562 4.995 -3.000 408 2HB LEU 50 1HB LEU 50 0.881 5.786 -1.591 409 HG LEU 50 HG LEU 50 -1.290 5.971 -2.855 410 1HD1 LEU 50 1HD1 LEU 50 -1.549 5.202 -4.941 411 2HD1 LEU 50 2HD1 LEU 50 -0.549 3.779 -4.646 412 3HD1 LEU 50 3HD1 LEU 50 0.208 5.324 -5.037 413 1HD2 LEU 50 1HD2 LEU 50 -1.978 4.024 -1.956 414 2HD2 LEU 50 2HD2 LEU 50 -0.348 4.002 -1.284 415 3HD2 LEU 50 3HD2 LEU 50 -0.712 3.085 -2.746 416 H GLU 51 H GLU 51 0.691 9.269 -2.092 417 HA GLU 51 HA GLU 51 3.368 9.519 -0.922 418 1HB GLU 51 2HB GLU 51 1.185 11.466 -1.563 419 2HB GLU 51 1HB GLU 51 2.372 11.873 -0.329 420 1HG GLU 51 2HG GLU 51 4.166 11.516 -1.977 421 2HG GLU 51 1HG GLU 51 2.943 11.197 -3.206 422 H ASP 52 H ASP 52 3.716 9.258 1.192 423 HA ASP 52 HA ASP 52 1.712 8.248 2.902 424 1HB ASP 52 2HB ASP 52 4.392 9.404 3.692 425 2HB ASP 52 1HB ASP 52 3.406 8.289 4.634 426 H GLY 53 H GLY 53 0.379 10.312 2.193 427 1HA GLY 53 2HA GLY 53 0.218 11.944 4.584 428 2HA GLY 53 1HA GLY 53 0.601 12.819 3.111 429 H ARG 54 H ARG 54 -1.096 11.000 1.463 430 HA ARG 54 HA ARG 54 -3.645 12.254 2.166 431 1HB ARG 54 2HB ARG 54 -4.025 12.519 -0.034 432 2HB ARG 54 1HB ARG 54 -2.312 12.182 -0.220 433 1HG ARG 54 2HG ARG 54 -4.521 10.143 -0.428 434 2HG ARG 54 1HG ARG 54 -3.698 10.909 -1.786 435 1HD ARG 54 2HD ARG 54 -1.639 9.881 -1.238 436 2HD ARG 54 1HD ARG 54 -2.242 9.346 0.327 437 HE ARG 54 HE ARG 54 -2.908 8.193 -2.283 438 1HH1 ARG 54 2HH1 ARG 54 -3.146 8.051 1.203 439 2HH1 ARG 54 1HH1 ARG 54 -3.740 6.427 1.212 440 1HH2 ARG 54 1HH2 ARG 54 -3.686 6.065 -2.261 441 2HH2 ARG 54 2HH2 ARG 54 -4.045 5.300 -0.750 442 H THR 55 H THR 55 -5.577 10.855 1.253 443 HA THR 55 HA THR 55 -5.293 8.170 2.440 444 HB THR 55 HB THR 55 -7.664 8.256 3.015 445 HG1 THR 55 HG1 THR 55 -8.620 10.491 2.776 446 1HG2 THR 55 1HG2 THR 55 -6.815 9.063 4.923 447 2HG2 THR 55 2HG2 THR 55 -7.322 10.653 4.354 448 3HG2 THR 55 3HG2 THR 55 -5.673 10.098 4.066 449 H LEU 56 H LEU 56 -6.769 6.515 1.559 450 HA LEU 56 HA LEU 56 -6.461 6.126 -1.153 451 1HB LEU 56 2HB LEU 56 -8.842 5.008 0.285 452 2HB LEU 56 1HB LEU 56 -7.849 4.255 -0.949 453 HG LEU 56 HG LEU 56 -7.251 4.605 1.973 454 1HD1 LEU 56 1HD1 LEU 56 -6.584 2.128 1.494 455 2HD1 LEU 56 2HD1 LEU 56 -7.603 2.334 0.071 456 3HD1 LEU 56 3HD1 LEU 56 -8.281 2.569 1.682 457 1HD2 LEU 56 1HD2 LEU 56 -5.258 3.796 -0.135 458 2HD2 LEU 56 2HD2 LEU 56 -4.981 3.923 1.602 459 3HD2 LEU 56 3HD2 LEU 56 -5.296 5.375 0.650 460 H SER 57 H SER 57 -9.099 7.682 0.571 461 HA SER 57 HA SER 57 -10.925 7.883 -1.550 462 1HB SER 57 2HB SER 57 -11.805 9.877 -0.213 463 2HB SER 57 1HB SER 57 -11.744 8.330 0.632 464 HG SER 57 HG SER 57 -9.921 9.001 1.704 465 H ASP 58 H ASP 58 -8.008 9.601 -0.876 466 HA ASP 58 HA ASP 58 -8.592 11.923 -2.428 467 1HB ASP 58 2HB ASP 58 -5.923 10.784 -1.570 468 2HB ASP 58 1HB ASP 58 -6.182 12.395 -2.232 469 H TYR 59 H TYR 59 -7.291 8.762 -3.115 470 HA TYR 59 HA TYR 59 -6.595 9.563 -5.846 471 1HB TYR 59 2HB TYR 59 -6.071 7.039 -4.271 472 2HB TYR 59 1HB TYR 59 -5.693 7.200 -5.981 473 HD1 TYR 59 HD1 TYR 59 -3.370 6.544 -5.111 474 HD2 TYR 59 HD2 TYR 59 -5.243 10.262 -4.192 475 HE1 TYR 59 HE1 TYR 59 -1.176 7.496 -4.529 476 HE2 TYR 59 HE2 TYR 59 -3.051 11.227 -3.608 477 HH TYR 59 HH TYR 59 -0.878 10.726 -3.147 478 H ASN 60 H ASN 60 -9.375 9.126 -4.638 479 HA ASN 60 HA ASN 60 -11.366 8.155 -5.198 480 1HB ASN 60 2HB ASN 60 -10.542 7.748 -8.011 481 2HB ASN 60 1HB ASN 60 -11.943 8.592 -7.357 482 1HD2 ASN 60 1HD2 ASN 60 -11.591 10.725 -6.462 483 2HD2 ASN 60 2HD2 ASN 60 -10.347 11.724 -7.127 484 H ILE 61 H ILE 61 -9.589 6.321 -4.145 485 HA ILE 61 HA ILE 61 -9.491 3.973 -5.817 486 HB ILE 61 HB ILE 61 -8.791 4.411 -2.916 487 1HG1 ILE 61 2HG1 ILE 61 -7.034 3.820 -5.306 488 2HG1 ILE 61 1HG1 ILE 61 -7.315 5.433 -4.660 489 1HG2 ILE 61 1HG2 ILE 61 -7.610 2.084 -3.448 490 2HG2 ILE 61 2HG2 ILE 61 -9.011 1.926 -4.509 491 3HG2 ILE 61 3HG2 ILE 61 -9.238 2.192 -2.780 492 1HD1 ILE 61 1HD1 ILE 61 -5.749 3.179 -3.512 493 2HD1 ILE 61 2HD1 ILE 61 -6.466 4.379 -2.436 494 3HD1 ILE 61 3HD1 ILE 61 -5.322 4.882 -3.680 495 H GLN 62 H GLN 62 -10.940 2.383 -5.927 496 HA GLN 62 HA GLN 62 -13.187 2.433 -4.024 497 1HB GLN 62 2HB GLN 62 -13.351 0.967 -6.619 498 2HB GLN 62 1HB GLN 62 -14.621 1.770 -5.706 499 1HG GLN 62 2HG GLN 62 -13.298 3.933 -6.342 500 2HG GLN 62 1HG GLN 62 -12.654 2.911 -7.627 501 1HE2 GLN 62 1HE2 GLN 62 -14.303 5.231 -7.920 502 2HE2 GLN 62 2HE2 GLN 62 -15.760 4.726 -8.699 503 H LYS 63 H LYS 63 -14.269 0.162 -3.887 504 HA LYS 63 HA LYS 63 -12.372 -1.582 -2.701 505 1HB LYS 63 2HB LYS 63 -14.225 -3.006 -2.195 506 2HB LYS 63 1HB LYS 63 -14.771 -1.345 -2.004 507 1HG LYS 63 2HG LYS 63 -15.226 -2.346 -4.688 508 2HG LYS 63 1HG LYS 63 -16.020 -3.329 -3.455 509 1HD LYS 63 2HD LYS 63 -16.373 -0.560 -2.833 510 2HD LYS 63 1HD LYS 63 -16.854 -0.848 -4.506 511 1HE LYS 63 2HE LYS 63 -17.838 -2.970 -2.866 512 2HE LYS 63 1HE LYS 63 -18.294 -1.427 -2.145 513 1HZ LYS 63 1HZ LYS 63 -18.779 -1.139 -4.833 514 2HZ LYS 63 2HZ LYS 63 -19.934 -1.374 -3.619 515 3HZ LYS 63 3HZ LYS 63 -19.324 -2.701 -4.472 516 H GLU 64 H GLU 64 -12.020 -3.837 -3.280 517 HA GLU 64 HA GLU 64 -11.405 -5.496 -4.710 518 1HB GLU 64 2HB GLU 64 -13.388 -4.214 -6.599 519 2HB GLU 64 1HB GLU 64 -12.693 -5.820 -6.770 520 1HG GLU 64 2HG GLU 64 -14.668 -4.840 -4.744 521 2HG GLU 64 1HG GLU 64 -14.823 -6.173 -5.888 522 H SER 65 H SER 65 -10.514 -2.463 -4.968 523 HA SER 65 HA SER 65 -9.398 -2.386 -7.615 524 1HB SER 65 2HB SER 65 -9.194 -0.622 -5.188 525 2HB SER 65 1HB SER 65 -8.129 -0.375 -6.572 526 HG SER 65 HG SER 65 -10.965 -0.429 -6.681 527 H THR 66 H THR 66 -7.154 -2.391 -8.133 528 HA THR 66 HA THR 66 -5.519 -3.912 -6.210 529 HB THR 66 HB THR 66 -5.225 -3.966 -9.215 530 HG1 THR 66 HG1 THR 66 -6.116 -6.223 -8.709 531 1HG2 THR 66 1HG2 THR 66 -3.856 -5.944 -8.787 532 2HG2 THR 66 2HG2 THR 66 -4.117 -5.759 -7.051 533 3HG2 THR 66 3HG2 THR 66 -3.207 -4.539 -7.942 534 H ILE 67 H ILE 67 -3.240 -3.499 -6.206 535 HA ILE 67 HA ILE 67 -2.386 -0.999 -7.470 536 HB ILE 67 HB ILE 67 -2.057 -1.595 -4.527 537 1HG1 ILE 67 2HG1 ILE 67 -3.380 0.830 -5.706 538 2HG1 ILE 67 1HG1 ILE 67 -4.288 -0.666 -5.505 539 1HG2 ILE 67 1HG2 ILE 67 -1.083 0.793 -4.597 540 2HG2 ILE 67 2HG2 ILE 67 -0.840 0.474 -6.315 541 3HG2 ILE 67 3HG2 ILE 67 -0.066 -0.553 -5.109 542 1HD1 ILE 67 1HD1 ILE 67 -3.771 -0.633 -3.108 543 2HD1 ILE 67 2HD1 ILE 67 -4.659 0.799 -3.629 544 3HD1 ILE 67 3HD1 ILE 67 -2.924 0.898 -3.328 545 H HIS 68 H HIS 68 -0.128 -0.799 -7.749 546 HA HIS 68 HA HIS 68 1.268 -3.375 -7.689 547 1HB HIS 68 2HB HIS 68 1.851 -0.829 -9.214 548 2HB HIS 68 1HB HIS 68 2.849 -2.277 -9.280 549 HD1 HIS 68 HD1 HIS 68 2.421 -3.476 -11.388 550 HD2 HIS 68 HD2 HIS 68 -1.050 -1.785 -9.853 551 HE1 HIS 68 HE1 HIS 68 0.592 -4.132 -12.983 552 HE2 HIS 68 HE2 HIS 68 -1.484 -3.022 -12.082 553 H LEU 69 H LEU 69 3.100 -3.710 -6.552 554 HA LEU 69 HA LEU 69 4.124 -1.450 -4.960 555 1HB LEU 69 2HB LEU 69 3.219 -2.865 -3.368 556 2HB LEU 69 1HB LEU 69 3.630 -4.313 -4.269 557 HG LEU 69 HG LEU 69 6.057 -3.821 -3.713 558 1HD1 LEU 69 1HD1 LEU 69 6.486 -2.386 -1.800 559 2HD1 LEU 69 2HD1 LEU 69 4.780 -1.948 -1.725 560 3HD1 LEU 69 3HD1 LEU 69 5.754 -1.464 -3.113 561 1HD2 LEU 69 1HD2 LEU 69 4.974 -4.235 -1.082 562 2HD2 LEU 69 2HD2 LEU 69 5.781 -5.378 -2.154 563 3HD2 LEU 69 3HD2 LEU 69 4.041 -5.126 -2.282 564 H VAL 70 H VAL 70 6.207 -0.937 -5.196 565 HA VAL 70 HA VAL 70 7.975 -2.887 -6.526 566 HB VAL 70 HB VAL 70 8.894 -0.196 -6.944 567 1HG1 VAL 70 1HG1 VAL 70 9.536 -2.192 -8.230 568 2HG1 VAL 70 2HG1 VAL 70 8.938 -0.894 -9.262 569 3HG1 VAL 70 3HG1 VAL 70 7.904 -2.273 -8.891 570 1HG2 VAL 70 1HG2 VAL 70 6.022 -0.729 -7.589 571 2HG2 VAL 70 2HG2 VAL 70 6.988 0.321 -8.625 572 3HG2 VAL 70 3HG2 VAL 70 6.770 0.723 -6.922 573 H LEU 71 H LEU 71 10.260 -2.645 -6.059 574 HA LEU 71 HA LEU 71 10.681 -1.909 -3.267 575 1HB LEU 71 2HB LEU 71 11.670 -3.945 -4.988 576 2HB LEU 71 1HB LEU 71 13.035 -2.968 -4.481 577 HG LEU 71 HG LEU 71 12.583 -4.961 -3.039 578 1HD1 LEU 71 1HD1 LEU 71 12.165 -2.808 -1.135 579 2HD1 LEU 71 2HD1 LEU 71 13.383 -2.417 -2.350 580 3HD1 LEU 71 3HD1 LEU 71 13.556 -3.866 -1.361 581 1HD2 LEU 71 1HD2 LEU 71 9.982 -4.299 -3.236 582 2HD2 LEU 71 2HD2 LEU 71 10.375 -3.565 -1.680 583 3HD2 LEU 71 3HD2 LEU 71 10.647 -5.289 -1.936 584 H ARG 72 H ARG 72 11.916 -1.157 -6.488 585 HA ARG 72 HA ARG 72 12.816 0.824 -7.244 586 1HB ARG 72 2HB ARG 72 11.772 1.647 -4.861 587 2HB ARG 72 1HB ARG 72 13.486 1.944 -4.603 588 1HG ARG 72 2HG ARG 72 13.216 3.033 -7.033 589 2HG ARG 72 1HG ARG 72 11.579 3.273 -6.419 590 1HD ARG 72 2HD ARG 72 12.548 4.332 -4.397 591 2HD ARG 72 1HD ARG 72 14.146 4.184 -5.126 592 HE ARG 72 HE ARG 72 12.550 5.526 -6.952 593 1HH1 ARG 72 2HH1 ARG 72 13.749 6.018 -3.721 594 2HH1 ARG 72 1HH1 ARG 72 13.780 7.744 -3.856 595 1HH2 ARG 72 1HH2 ARG 72 12.585 7.799 -7.142 596 2HH2 ARG 72 2HH2 ARG 72 13.117 8.757 -5.800 597 H LEU 73 H LEU 73 14.714 0.294 -8.109 598 HA LEU 73 HA LEU 73 17.078 0.290 -6.413 599 1HB LEU 73 2HB LEU 73 15.901 -2.116 -7.298 600 2HB LEU 73 1HB LEU 73 17.330 -1.875 -8.284 601 HG LEU 73 HG LEU 73 18.434 -1.408 -5.905 602 1HD1 LEU 73 1HD1 LEU 73 16.898 -1.729 -4.294 603 2HD1 LEU 73 2HD1 LEU 73 17.271 -3.434 -4.549 604 3HD1 LEU 73 3HD1 LEU 73 15.863 -2.712 -5.329 605 1HD2 LEU 73 1HD2 LEU 73 18.342 -3.540 -7.741 606 2HD2 LEU 73 2HD2 LEU 73 18.237 -4.250 -6.129 607 3HD2 LEU 73 3HD2 LEU 73 19.586 -3.191 -6.540 608 H ARG 74 H ARG 74 16.551 2.324 -7.998 609 HA ARG 74 HA ARG 74 18.636 2.168 -9.994 610 1HB ARG 74 2HB ARG 74 16.404 1.450 -11.072 611 2HB ARG 74 1HB ARG 74 15.944 3.140 -10.920 612 1HG ARG 74 2HG ARG 74 16.868 3.405 -12.925 613 2HG ARG 74 1HG ARG 74 18.420 3.295 -12.091 614 1HD ARG 74 2HD ARG 74 17.438 0.660 -12.549 615 2HD ARG 74 1HD ARG 74 17.348 1.563 -14.061 616 HE ARG 74 HE ARG 74 19.848 2.075 -13.011 617 1HH1 ARG 74 2HH1 ARG 74 18.054 -0.720 -14.062 618 2HH1 ARG 74 1HH1 ARG 74 19.462 -1.599 -14.555 619 1HH2 ARG 74 1HH2 ARG 74 21.708 0.925 -13.659 620 2HH2 ARG 74 2HH2 ARG 74 21.540 -0.664 -14.326 621 H GLY 75 H GLY 75 19.821 3.814 -9.235 622 1HA GLY 75 2HA GLY 75 20.403 5.917 -8.511 623 2HA GLY 75 1HA GLY 75 19.219 6.461 -9.690 624 H GLY 76 HN GLY 76 18.544 4.557 -6.798 625 1HA GLY 76 2HA GLY 76 16.494 6.395 -5.996 626 2HA GLY 76 1HA GLY 76 17.001 4.955 -5.126 Start of MODEL 13 1 2H MET 1 2H MET 1 -13.451 -2.743 3.792 2 3H MET 1 3H MET 1 -14.075 -1.275 3.230 3 1H MET 1 1H MET 1 -12.408 -1.455 3.457 4 HA MET 1 HA MET 1 -13.946 -3.106 1.553 5 1HB MET 1 2HB MET 1 -13.216 -1.618 -0.226 6 2HB MET 1 1HB MET 1 -14.166 -0.722 0.951 7 1HG MET 1 2HG MET 1 -11.890 -0.103 1.985 8 2HG MET 1 1HG MET 1 -11.225 -0.624 0.438 9 1HE MET 1 1HE MET 1 -10.794 2.880 -0.471 10 2HE MET 1 2HE MET 1 -10.930 1.502 -1.563 11 3HE MET 1 3HE MET 1 -10.132 1.314 -0.003 12 H GLN 2 H GLN 2 -12.662 -4.388 0.243 13 HA GLN 2 HA GLN 2 -9.936 -4.791 1.242 14 1HB GLN 2 2HB GLN 2 -12.026 -6.527 0.126 15 2HB GLN 2 1HB GLN 2 -10.413 -6.862 -0.488 16 1HG GLN 2 2HG GLN 2 -10.581 -6.518 2.419 17 2HG GLN 2 1HG GLN 2 -11.451 -7.911 1.776 18 1HE2 GLN 2 1HE2 GLN 2 -9.522 -8.573 3.378 19 2HE2 GLN 2 2HE2 GLN 2 -8.117 -9.128 2.542 20 H VAL 3 H VAL 3 -8.211 -5.256 -0.269 21 HA VAL 3 HA VAL 3 -8.606 -4.224 -2.981 22 HB VAL 3 HB VAL 3 -6.648 -2.804 -2.869 23 1HG1 VAL 3 1HG1 VAL 3 -7.475 -1.135 -1.155 24 2HG1 VAL 3 2HG1 VAL 3 -8.703 -2.325 -0.726 25 3HG1 VAL 3 3HG1 VAL 3 -8.651 -1.661 -2.359 26 1HG2 VAL 3 1HG2 VAL 3 -6.224 -4.224 -0.360 27 2HG2 VAL 3 2HG2 VAL 3 -6.018 -2.478 -0.211 28 3HG2 VAL 3 3HG2 VAL 3 -5.070 -3.379 -1.394 29 H PHE 4 H PHE 4 -6.653 -4.626 -4.367 30 HA PHE 4 HA PHE 4 -5.330 -7.134 -3.560 31 1HB PHE 4 2HB PHE 4 -5.755 -6.399 -6.437 32 2HB PHE 4 1HB PHE 4 -5.541 -7.991 -5.716 33 HD1 PHE 4 HD1 PHE 4 -7.790 -6.319 -7.496 34 HD2 PHE 4 HD2 PHE 4 -7.523 -8.155 -3.657 35 HE1 PHE 4 HE1 PHE 4 -10.235 -6.632 -7.480 36 HE2 PHE 4 HE2 PHE 4 -9.967 -8.473 -3.634 37 HZ PHE 4 HZ PHE 4 -11.325 -7.710 -5.547 38 H LEU 5 H LEU 5 -3.162 -7.200 -3.632 39 HA LEU 5 HA LEU 5 -1.777 -4.862 -4.768 40 1HB LEU 5 2HB LEU 5 -1.698 -5.569 -2.217 41 2HB LEU 5 1HB LEU 5 -0.463 -6.669 -2.798 42 HG LEU 5 HG LEU 5 0.364 -4.323 -3.910 43 1HD1 LEU 5 1HD1 LEU 5 0.106 -2.531 -2.428 44 2HD1 LEU 5 2HD1 LEU 5 -0.531 -3.566 -1.149 45 3HD1 LEU 5 3HD1 LEU 5 -1.511 -3.221 -2.574 46 1HD2 LEU 5 1HD2 LEU 5 1.755 -5.928 -2.723 47 2HD2 LEU 5 2HD2 LEU 5 1.058 -5.415 -1.186 48 3HD2 LEU 5 3HD2 LEU 5 2.042 -4.294 -2.126 49 H LYS 6 H LYS 6 -0.344 -5.155 -6.359 50 HA LYS 6 HA LYS 6 0.234 -7.909 -7.185 51 1HB LYS 6 2HB LYS 6 0.194 -5.281 -8.641 52 2HB LYS 6 1HB LYS 6 1.050 -6.664 -9.309 53 1HG LYS 6 2HG LYS 6 -1.099 -7.953 -9.118 54 2HG LYS 6 1HG LYS 6 -1.888 -6.423 -8.728 55 1HD LYS 6 2HD LYS 6 -2.141 -6.123 -10.922 56 2HD LYS 6 1HD LYS 6 -0.398 -5.857 -10.996 57 1HE LYS 6 2HE LYS 6 -1.814 -8.499 -11.336 58 2HE LYS 6 1HE LYS 6 -1.099 -7.532 -12.625 59 1HZ LYS 6 1HZ LYS 6 0.189 -9.509 -11.470 60 2HZ LYS 6 2HZ LYS 6 0.633 -8.280 -10.397 61 3HZ LYS 6 3HZ LYS 6 0.991 -8.135 -12.044 62 H THR 7 H THR 7 2.355 -8.566 -7.694 63 HA THR 7 HA THR 7 4.441 -6.916 -6.428 64 HB THR 7 HB THR 7 5.384 -8.747 -5.496 65 HG1 THR 7 HG1 THR 7 5.121 -10.890 -6.671 66 1HG2 THR 7 1HG2 THR 7 2.602 -9.723 -6.121 67 2HG2 THR 7 2HG2 THR 7 3.177 -8.962 -4.638 68 3HG2 THR 7 3HG2 THR 7 3.710 -10.590 -5.058 69 H LEU 8 H LEU 8 6.708 -7.890 -7.290 70 HA LEU 8 HA LEU 8 6.795 -7.085 -10.057 71 1HB LEU 8 2HB LEU 8 9.162 -8.193 -8.605 72 2HB LEU 8 1HB LEU 8 9.094 -6.921 -9.811 73 HG LEU 8 HG LEU 8 8.135 -6.659 -6.960 74 1HD1 LEU 8 1HD1 LEU 8 10.584 -6.879 -7.168 75 2HD1 LEU 8 2HD1 LEU 8 10.084 -5.286 -6.600 76 3HD1 LEU 8 3HD1 LEU 8 10.589 -5.506 -8.275 77 1HD2 LEU 8 1HD2 LEU 8 8.137 -4.211 -7.582 78 2HD2 LEU 8 2HD2 LEU 8 6.860 -5.191 -8.303 79 3HD2 LEU 8 3HD2 LEU 8 8.265 -4.730 -9.263 80 H THR 9 H THR 9 6.179 -9.966 -8.538 81 HA THR 9 HA THR 9 7.424 -11.585 -10.648 82 HB THR 9 HB THR 9 7.088 -13.511 -9.256 83 HG1 THR 9 HG1 THR 9 5.280 -13.376 -8.125 84 1HG2 THR 9 1HG2 THR 9 8.906 -11.713 -8.700 85 2HG2 THR 9 2HG2 THR 9 8.632 -13.061 -7.596 86 3HG2 THR 9 3HG2 THR 9 7.945 -11.477 -7.240 87 H GLY 10 H GLY 10 4.360 -10.576 -9.328 88 1HA GLY 10 2HA GLY 10 2.483 -10.510 -10.893 89 2HA GLY 10 1HA GLY 10 3.016 -12.075 -11.488 90 H LYS 11 H LYS 11 2.837 -11.154 -8.096 91 HA LYS 11 HA LYS 11 0.825 -13.263 -7.716 92 1HB LYS 11 2HB LYS 11 3.238 -12.793 -6.416 93 2HB LYS 11 1HB LYS 11 2.025 -12.212 -5.283 94 1HG LYS 11 2HG LYS 11 0.994 -14.622 -6.121 95 2HG LYS 11 1HG LYS 11 2.730 -14.928 -6.034 96 1HD LYS 11 2HD LYS 11 1.526 -13.450 -3.771 97 2HD LYS 11 1HD LYS 11 1.098 -15.156 -3.923 98 1HE LYS 11 2HE LYS 11 3.078 -15.777 -3.127 99 2HE LYS 11 1HE LYS 11 3.917 -14.808 -4.337 100 1HZ LYS 11 1HZ LYS 11 4.507 -13.412 -2.744 101 2HZ LYS 11 2HZ LYS 11 3.679 -14.328 -1.587 102 3HZ LYS 11 3HZ LYS 11 2.885 -13.076 -2.400 103 H THR 12 H THR 12 -1.073 -12.875 -6.632 104 HA THR 12 HA THR 12 -1.677 -10.041 -6.099 105 HB THR 12 HB THR 12 -3.705 -12.189 -6.716 106 HG1 THR 12 HG1 THR 12 -2.210 -11.779 -8.489 107 1HG2 THR 12 1HG2 THR 12 -3.801 -9.342 -6.052 108 2HG2 THR 12 2HG2 THR 12 -5.070 -10.565 -5.980 109 3HG2 THR 12 3HG2 THR 12 -4.706 -9.760 -7.507 110 H VAL 13 H VAL 13 -2.041 -9.495 -4.059 111 HA VAL 13 HA VAL 13 -2.777 -11.615 -2.148 112 HB VAL 13 HB VAL 13 -1.790 -10.145 -0.394 113 1HG1 VAL 13 1HG1 VAL 13 -0.552 -11.910 -2.056 114 2HG1 VAL 13 2HG1 VAL 13 0.187 -11.182 -0.629 115 3HG1 VAL 13 3HG1 VAL 13 0.475 -10.485 -2.223 116 1HG2 VAL 13 1HG2 VAL 13 -0.456 -8.594 -2.577 117 2HG2 VAL 13 2HG2 VAL 13 -0.634 -8.195 -0.867 118 3HG2 VAL 13 3HG2 VAL 13 -2.023 -8.086 -1.948 119 H THR 14 H THR 14 -4.277 -11.118 -0.491 120 HA THR 14 HA THR 14 -6.106 -8.924 -1.201 121 HB THR 14 HB THR 14 -7.338 -10.723 0.632 122 HG1 THR 14 HG1 THR 14 -6.434 -12.548 0.051 123 1HG2 THR 14 1HG2 THR 14 -8.500 -11.191 -1.804 124 2HG2 THR 14 2HG2 THR 14 -7.775 -9.601 -2.036 125 3HG2 THR 14 3HG2 THR 14 -8.916 -9.866 -0.718 126 H ILE 15 H ILE 15 -6.312 -7.280 0.160 127 HA ILE 15 HA ILE 15 -5.720 -7.695 3.008 128 HB ILE 15 HB ILE 15 -4.835 -5.212 1.554 129 1HG1 ILE 15 2HG1 ILE 15 -3.378 -7.807 1.991 130 2HG1 ILE 15 1HG1 ILE 15 -3.493 -6.841 0.523 131 1HG2 ILE 15 1HG2 ILE 15 -5.054 -5.915 4.266 132 2HG2 ILE 15 2HG2 ILE 15 -4.305 -4.474 3.578 133 3HG2 ILE 15 3HG2 ILE 15 -3.331 -5.911 3.889 134 1HD1 ILE 15 1HD1 ILE 15 -2.227 -5.091 2.094 135 2HD1 ILE 15 2HD1 ILE 15 -1.392 -6.284 1.100 136 3HD1 ILE 15 3HD1 ILE 15 -1.660 -6.597 2.815 137 H GLU 16 H GLU 16 -6.869 -6.385 4.439 138 HA GLU 16 HA GLU 16 -9.237 -5.123 3.262 139 1HB GLU 16 2HB GLU 16 -9.622 -6.878 4.937 140 2HB GLU 16 1HB GLU 16 -8.686 -5.967 6.113 141 1HG GLU 16 2HG GLU 16 -10.600 -5.069 6.769 142 2HG GLU 16 1HG GLU 16 -10.596 -4.166 5.254 143 H VAL 17 H VAL 17 -9.409 -2.989 3.184 144 HA VAL 17 HA VAL 17 -8.062 -1.353 5.204 145 HB VAL 17 HB VAL 17 -7.136 0.170 3.593 146 1HG1 VAL 17 1HG1 VAL 17 -5.541 -1.365 2.385 147 2HG1 VAL 17 2HG1 VAL 17 -6.470 -2.713 3.042 148 3HG1 VAL 17 3HG1 VAL 17 -5.648 -1.595 4.132 149 1HG2 VAL 17 1HG2 VAL 17 -8.827 -1.351 1.714 150 2HG2 VAL 17 2HG2 VAL 17 -7.253 -0.841 1.102 151 3HG2 VAL 17 3HG2 VAL 17 -8.388 0.358 1.722 152 H GLU 18 H GLU 18 -8.803 0.944 5.118 153 HA GLU 18 HA GLU 18 -11.621 1.076 4.272 154 1HB GLU 18 2HB GLU 18 -10.267 2.385 6.635 155 2HB GLU 18 1HB GLU 18 -11.923 2.705 6.138 156 1HG GLU 18 2HG GLU 18 -12.693 0.721 6.916 157 2HG GLU 18 1HG GLU 18 -11.171 -0.117 6.615 158 HA PRO 19 HA PRO 19 -10.844 4.465 1.588 159 1HB PRO 19 2HB PRO 19 -13.112 5.826 2.959 160 2HB PRO 19 1HB PRO 19 -12.861 5.513 1.239 161 1HG PRO 19 2HG PRO 19 -14.603 4.068 2.645 162 2HG PRO 19 1HG PRO 19 -13.591 3.316 1.398 163 1HD PRO 19 2HD PRO 19 -13.330 3.216 4.371 164 2HD PRO 19 1HD PRO 19 -12.995 1.957 3.164 165 H SER 20 H SER 20 -11.405 5.153 5.001 166 HA SER 20 HA SER 20 -10.095 7.729 4.849 167 1HB SER 20 2HB SER 20 -10.385 7.491 7.449 168 2HB SER 20 1HB SER 20 -11.790 7.795 6.429 169 HG SER 20 HG SER 20 -12.029 6.059 7.994 170 H ASP 21 H ASP 21 -8.682 5.061 4.336 171 HA ASP 21 HA ASP 21 -6.700 5.003 6.455 172 1HB ASP 21 2HB ASP 21 -7.226 3.351 4.006 173 2HB ASP 21 1HB ASP 21 -5.663 3.257 4.811 174 H THR 22 H THR 22 -4.525 5.532 6.215 175 HA THR 22 HA THR 22 -3.987 7.447 4.070 176 HB THR 22 HB THR 22 -2.392 8.447 5.419 177 HG1 THR 22 HG1 THR 22 -2.200 6.397 7.313 178 1HG2 THR 22 1HG2 THR 22 -3.335 8.642 7.678 179 2HG2 THR 22 2HG2 THR 22 -4.338 7.222 7.381 180 3HG2 THR 22 3HG2 THR 22 -4.595 8.696 6.446 181 H VAL 23 H VAL 23 -2.153 7.342 2.770 182 HA VAL 23 HA VAL 23 -1.422 4.979 1.652 183 HB VAL 23 HB VAL 23 0.264 7.460 1.970 184 1HG1 VAL 23 1HG1 VAL 23 1.691 6.611 0.204 185 2HG1 VAL 23 2HG1 VAL 23 0.748 5.123 0.127 186 3HG1 VAL 23 3HG1 VAL 23 1.692 5.496 1.569 187 1HG2 VAL 23 1HG2 VAL 23 -0.375 7.746 -0.444 188 2HG2 VAL 23 2HG2 VAL 23 -1.704 7.895 0.705 189 3HG2 VAL 23 3HG2 VAL 23 -1.508 6.413 -0.228 190 H GLU 24 H GLU 24 0.105 6.533 4.438 191 HA GLU 24 HA GLU 24 2.271 4.798 4.748 192 1HB GLU 24 2HB GLU 24 0.719 6.223 6.917 193 2HB GLU 24 1HB GLU 24 2.346 5.571 7.071 194 1HG GLU 24 2HG GLU 24 3.066 7.592 6.518 195 2HG GLU 24 1HG GLU 24 2.532 7.225 4.878 196 H ASN 25 H ASN 25 -0.818 4.737 6.538 197 HA ASN 25 HA ASN 25 -0.507 2.415 7.940 198 1HB ASN 25 2HB ASN 25 -2.469 3.709 8.312 199 2HB ASN 25 1HB ASN 25 -2.973 3.561 6.631 200 1HD2 ASN 25 1HD2 ASN 25 -4.942 2.670 7.031 201 2HD2 ASN 25 2HD2 ASN 25 -5.158 1.090 7.694 202 H PHE 26 H PHE 26 -1.246 2.779 4.532 203 HA PHE 26 HA PHE 26 -1.894 0.048 4.056 204 1HB PHE 26 2HB PHE 26 -2.419 2.110 2.589 205 2HB PHE 26 1HB PHE 26 -0.785 1.905 1.965 206 HD1 PHE 26 HD1 PHE 26 -1.754 -1.286 2.748 207 HD2 PHE 26 HD2 PHE 26 -2.615 1.795 -0.072 208 HE1 PHE 26 HE1 PHE 26 -2.578 -2.979 1.155 209 HE2 PHE 26 HE2 PHE 26 -3.441 0.108 -1.669 210 HZ PHE 26 HZ PHE 26 -3.422 -2.281 -1.056 211 H LYS 27 H LYS 27 1.064 1.966 3.663 212 HA LYS 27 HA LYS 27 2.669 -0.038 2.547 213 1HB LYS 27 2HB LYS 27 3.367 2.346 4.263 214 2HB LYS 27 1HB LYS 27 4.581 1.307 3.531 215 1HG LYS 27 2HG LYS 27 3.756 1.866 1.316 216 2HG LYS 27 1HG LYS 27 2.491 2.871 2.028 217 1HD LYS 27 2HD LYS 27 3.911 4.583 1.932 218 2HD LYS 27 1HD LYS 27 4.868 3.774 3.175 219 1HE LYS 27 2HE LYS 27 6.013 2.520 1.313 220 2HE LYS 27 1HE LYS 27 5.198 3.604 0.187 221 1HZ LYS 27 1HZ LYS 27 6.629 4.895 2.354 222 2HZ LYS 27 2HZ LYS 27 6.544 5.306 0.716 223 3HZ LYS 27 3HZ LYS 27 7.599 4.087 1.227 224 H ALA 28 H ALA 28 1.776 0.651 5.861 225 HA ALA 28 HA ALA 28 3.680 -1.078 7.080 226 1HB ALA 28 1HB ALA 28 2.055 -0.906 9.050 227 2HB ALA 28 2HB ALA 28 1.142 0.211 8.035 228 3HB ALA 28 3HB ALA 28 2.806 0.585 8.480 229 H LYS 29 H LYS 29 0.286 -1.441 6.122 230 HA LYS 29 HA LYS 29 -0.160 -3.992 7.166 231 1HB LYS 29 2HB LYS 29 -1.340 -2.990 4.579 232 2HB LYS 29 1HB LYS 29 -2.051 -4.119 5.725 233 1HG LYS 29 2HG LYS 29 -1.653 -1.876 7.255 234 2HG LYS 29 1HG LYS 29 -2.104 -1.210 5.684 235 1HD LYS 29 2HD LYS 29 -4.171 -2.307 5.682 236 2HD LYS 29 1HD LYS 29 -3.673 -3.434 6.946 237 1HE LYS 29 2HE LYS 29 -4.250 -0.493 7.248 238 2HE LYS 29 1HE LYS 29 -5.191 -1.836 7.895 239 1HZ LYS 29 1HZ LYS 29 -3.954 -1.160 9.699 240 2HZ LYS 29 2HZ LYS 29 -2.576 -0.814 8.781 241 3HZ LYS 29 3HZ LYS 29 -3.004 -2.421 9.092 242 H ILE 30 H ILE 30 1.278 -2.964 4.117 243 HA ILE 30 HA ILE 30 1.468 -5.595 3.018 244 HB ILE 30 HB ILE 30 3.120 -3.194 2.238 245 1HG1 ILE 30 2HG1 ILE 30 0.593 -3.940 0.823 246 2HG1 ILE 30 1HG1 ILE 30 0.482 -3.010 2.315 247 1HG2 ILE 30 1HG2 ILE 30 2.602 -4.572 -0.034 248 2HG2 ILE 30 2HG2 ILE 30 2.681 -5.884 1.143 249 3HG2 ILE 30 3HG2 ILE 30 4.049 -4.785 0.952 250 1HD1 ILE 30 1HD1 ILE 30 2.431 -1.710 0.833 251 2HD1 ILE 30 2HD1 ILE 30 0.761 -1.197 1.079 252 3HD1 ILE 30 3HD1 ILE 30 1.191 -2.152 -0.340 253 H GLN 31 H GLN 31 3.580 -3.531 4.923 254 HA GLN 31 HA GLN 31 5.972 -4.961 4.605 255 1HB GLN 31 2HB GLN 31 5.852 -2.712 5.599 256 2HB GLN 31 1HB GLN 31 5.029 -3.378 7.004 257 1HG GLN 31 2HG GLN 31 7.734 -4.364 6.187 258 2HG GLN 31 1HG GLN 31 7.544 -2.903 7.157 259 1HE2 GLN 31 1HE2 GLN 31 8.712 -5.576 7.747 260 2HE2 GLN 31 2HE2 GLN 31 7.912 -6.106 9.183 261 H ASP 32 H ASP 32 3.385 -5.275 7.016 262 HA ASP 32 HA ASP 32 4.654 -7.395 8.437 263 1HB ASP 32 2HB ASP 32 2.508 -5.726 8.915 264 2HB ASP 32 1HB ASP 32 1.737 -7.288 8.656 265 H LYS 33 H LYS 33 3.182 -7.287 5.438 266 HA LYS 33 HA LYS 33 2.377 -10.112 5.557 267 1HB LYS 33 2HB LYS 33 1.520 -7.793 3.891 268 2HB LYS 33 1HB LYS 33 1.452 -9.395 3.171 269 1HG LYS 33 2HG LYS 33 0.263 -9.097 5.861 270 2HG LYS 33 1HG LYS 33 -0.577 -8.314 4.519 271 1HD LYS 33 2HD LYS 33 -0.198 -10.652 3.364 272 2HD LYS 33 1HD LYS 33 -0.091 -11.208 5.035 273 1HE LYS 33 2HE LYS 33 -2.301 -11.151 5.226 274 2HE LYS 33 1HE LYS 33 -2.321 -9.446 4.780 275 1HZ LYS 33 1HZ LYS 33 -3.427 -11.441 3.340 276 2HZ LYS 33 2HZ LYS 33 -1.947 -11.227 2.550 277 3HZ LYS 33 3HZ LYS 33 -3.007 -9.922 2.724 278 H GLU 34 H GLU 34 4.260 -7.789 3.664 279 HA GLU 34 HA GLU 34 5.508 -10.000 2.200 280 1HB GLU 34 2HB GLU 34 5.355 -7.035 1.730 281 2HB GLU 34 1HB GLU 34 6.553 -8.021 0.902 282 1HG GLU 34 2HG GLU 34 3.567 -8.369 0.770 283 2HG GLU 34 1HG GLU 34 4.596 -7.681 -0.485 284 H GLY 35 H GLY 35 6.049 -7.997 4.856 285 1HA GLY 35 2HA GLY 35 7.862 -7.712 6.235 286 2HA GLY 35 1HA GLY 35 8.573 -9.103 5.429 287 H ILE 36 H ILE 36 7.754 -5.783 4.418 288 HA ILE 36 HA ILE 36 10.575 -5.389 3.693 289 HB ILE 36 HB ILE 36 8.252 -4.582 1.940 290 1HG1 ILE 36 2HG1 ILE 36 10.305 -6.775 1.572 291 2HG1 ILE 36 1HG1 ILE 36 8.594 -7.012 1.915 292 1HG2 ILE 36 1HG2 ILE 36 11.217 -4.201 1.751 293 2HG2 ILE 36 2HG2 ILE 36 9.930 -3.009 1.573 294 3HG2 ILE 36 3HG2 ILE 36 10.204 -4.209 0.309 295 1HD1 ILE 36 1HD1 ILE 36 8.747 -5.380 -0.371 296 2HD1 ILE 36 2HD1 ILE 36 8.199 -7.053 -0.253 297 3HD1 ILE 36 3HD1 ILE 36 9.894 -6.701 -0.593 298 HA PRO 37 HA PRO 37 10.062 -1.715 6.133 299 1HB PRO 37 2HB PRO 37 12.332 -0.764 4.465 300 2HB PRO 37 1HB PRO 37 12.180 -0.838 6.224 301 1HG PRO 37 2HG PRO 37 13.706 -2.587 4.917 302 2HG PRO 37 1HG PRO 37 12.725 -3.094 6.305 303 1HD PRO 37 2HD PRO 37 12.229 -3.498 3.383 304 2HD PRO 37 1HD PRO 37 11.937 -4.606 4.740 305 HA PRO 38 HA PRO 38 7.472 0.777 3.519 306 1HB PRO 38 2HB PRO 38 8.218 2.861 5.518 307 2HB PRO 38 1HB PRO 38 6.620 2.375 4.942 308 1HG PRO 38 2HG PRO 38 7.482 1.617 7.344 309 2HG PRO 38 1HG PRO 38 6.546 0.509 6.323 310 1HD PRO 38 2HD PRO 38 9.473 0.542 6.897 311 2HD PRO 38 1HD PRO 38 8.385 -0.838 6.647 312 H ASP 39 H ASP 39 10.617 1.877 4.668 313 HA ASP 39 HA ASP 39 10.932 4.087 2.970 314 1HB ASP 39 2HB ASP 39 13.282 3.969 3.492 315 2HB ASP 39 1HB ASP 39 12.374 3.554 4.944 316 H GLN 40 H GLN 40 10.887 0.760 2.280 317 HA GLN 40 HA GLN 40 12.107 1.253 -0.358 318 1HB GLN 40 2HB GLN 40 12.200 -1.135 1.450 319 2HB GLN 40 1HB GLN 40 12.375 -1.345 -0.287 320 1HG GLN 40 2HG GLN 40 14.297 0.131 -0.298 321 2HG GLN 40 1HG GLN 40 14.103 0.423 1.431 322 1HE2 GLN 40 1HE2 GLN 40 13.888 -1.795 2.658 323 2HE2 GLN 40 2HE2 GLN 40 15.149 -2.922 2.301 324 H GLN 41 H GLN 41 9.220 1.128 0.976 325 HA GLN 41 HA GLN 41 7.993 -0.670 -0.984 326 1HB GLN 41 2HB GLN 41 7.147 0.469 1.633 327 2HB GLN 41 1HB GLN 41 5.893 0.115 0.453 328 1HG GLN 41 2HG GLN 41 7.001 -2.203 0.295 329 2HG GLN 41 1HG GLN 41 7.779 -1.761 1.814 330 1HE2 GLN 41 1HE2 GLN 41 6.779 -2.611 3.479 331 2HE2 GLN 41 2HE2 GLN 41 5.072 -2.801 3.662 332 H ARG 42 H ARG 42 7.528 0.238 -2.873 333 HA ARG 42 HA ARG 42 6.478 2.993 -2.888 334 1HB ARG 42 2HB ARG 42 8.635 2.779 -4.045 335 2HB ARG 42 1HB ARG 42 7.963 1.525 -5.078 336 1HG ARG 42 2HG ARG 42 7.388 3.100 -6.518 337 2HG ARG 42 1HG ARG 42 6.235 3.710 -5.328 338 1HD ARG 42 2HD ARG 42 9.132 4.525 -5.518 339 2HD ARG 42 1HD ARG 42 7.773 5.455 -6.149 340 HE ARG 42 HE ARG 42 7.092 5.180 -3.578 341 1HH1 ARG 42 2HH1 ARG 42 10.089 6.122 -5.080 342 2HH1 ARG 42 1HH1 ARG 42 10.576 7.145 -3.770 343 1HH2 ARG 42 1HH2 ARG 42 7.721 6.525 -1.847 344 2HH2 ARG 42 2HH2 ARG 42 9.229 7.373 -1.930 345 H LEU 43 H LEU 43 4.374 3.104 -3.293 346 HA LEU 43 HA LEU 43 3.085 0.904 -4.742 347 1HB LEU 43 2HB LEU 43 1.572 3.082 -3.365 348 2HB LEU 43 1HB LEU 43 1.107 1.416 -3.646 349 HG LEU 43 HG LEU 43 2.772 2.573 -1.466 350 1HD1 LEU 43 1HD1 LEU 43 0.349 0.970 -1.790 351 2HD1 LEU 43 2HD1 LEU 43 0.836 2.045 -0.478 352 3HD1 LEU 43 3HD1 LEU 43 1.434 0.386 -0.528 353 1HD2 LEU 43 1HD2 LEU 43 4.397 1.070 -1.828 354 2HD2 LEU 43 2HD2 LEU 43 3.402 0.110 -2.923 355 3HD2 LEU 43 3HD2 LEU 43 3.241 -0.093 -1.178 356 H ILE 44 H ILE 44 2.216 1.164 -6.698 357 HA ILE 44 HA ILE 44 1.955 3.904 -7.757 358 HB ILE 44 HB ILE 44 2.706 1.475 -9.383 359 1HG1 ILE 44 2HG1 ILE 44 4.537 1.963 -7.878 360 2HG1 ILE 44 1HG1 ILE 44 4.970 2.515 -9.493 361 1HG2 ILE 44 1HG2 ILE 44 3.493 3.633 -10.807 362 2HG2 ILE 44 2HG2 ILE 44 2.069 4.280 -9.991 363 3HG2 ILE 44 3HG2 ILE 44 1.931 2.838 -10.997 364 1HD1 ILE 44 1HD1 ILE 44 3.769 4.710 -8.280 365 2HD1 ILE 44 2HD1 ILE 44 5.487 4.464 -8.590 366 3HD1 ILE 44 3HD1 ILE 44 4.796 3.992 -7.038 367 H PHE 45 H PHE 45 -0.170 4.302 -7.838 368 HA PHE 45 HA PHE 45 -1.901 2.263 -9.074 369 1HB PHE 45 2HB PHE 45 -2.409 2.341 -6.706 370 2HB PHE 45 1HB PHE 45 -2.563 4.094 -6.761 371 HD1 PHE 45 HD1 PHE 45 -4.779 4.366 -6.041 372 HD2 PHE 45 HD2 PHE 45 -3.896 1.688 -9.239 373 HE1 PHE 45 HE1 PHE 45 -7.189 4.141 -6.512 374 HE2 PHE 45 HE2 PHE 45 -6.305 1.459 -9.717 375 HZ PHE 45 HZ PHE 45 -7.953 2.687 -8.353 376 H ALA 46 H ALA 46 -3.129 2.926 -10.729 377 HA ALA 46 HA ALA 46 -3.839 4.257 -12.443 378 1HB ALA 46 1HB ALA 46 -5.376 4.835 -10.505 379 2HB ALA 46 2HB ALA 46 -5.295 6.001 -11.824 380 3HB ALA 46 3HB ALA 46 -4.421 6.306 -10.323 381 H GLY 47 H GLY 47 -1.163 4.357 -12.373 382 1HA GLY 47 2HA GLY 47 0.680 5.609 -12.938 383 2HA GLY 47 1HA GLY 47 -0.479 6.645 -13.758 384 H LYS 48 H LYS 48 -0.860 6.277 -10.365 385 HA LYS 48 HA LYS 48 0.450 8.875 -9.914 386 1HB LYS 48 2HB LYS 48 -2.182 7.896 -8.798 387 2HB LYS 48 1HB LYS 48 -1.351 9.343 -8.241 388 1HG LYS 48 2HG LYS 48 -1.447 10.076 -10.713 389 2HG LYS 48 1HG LYS 48 -2.688 8.829 -10.865 390 1HD LYS 48 2HD LYS 48 -3.354 10.254 -8.555 391 2HD LYS 48 1HD LYS 48 -2.874 11.477 -9.734 392 1HE LYS 48 2HE LYS 48 -4.657 11.087 -11.056 393 2HE LYS 48 1HE LYS 48 -4.614 9.347 -10.775 394 1HZ LYS 48 1HZ LYS 48 -6.420 11.101 -9.730 395 2HZ LYS 48 2HZ LYS 48 -5.370 10.810 -8.437 396 3HZ LYS 48 3HZ LYS 48 -6.151 9.516 -9.197 397 H GLN 49 H GLN 49 2.009 8.785 -8.446 398 HA GLN 49 HA GLN 49 2.488 6.432 -6.911 399 1HB GLN 49 2HB GLN 49 3.982 8.655 -7.729 400 2HB GLN 49 1HB GLN 49 3.958 8.741 -5.973 401 1HG GLN 49 2HG GLN 49 5.549 7.215 -5.890 402 2HG GLN 49 1HG GLN 49 4.469 6.055 -6.663 403 1HE2 GLN 49 1HE2 GLN 49 7.424 7.356 -6.863 404 2HE2 GLN 49 2HE2 GLN 49 7.712 7.225 -8.561 405 H LEU 50 H LEU 50 2.018 5.974 -4.838 406 HA LEU 50 HA LEU 50 0.143 7.676 -3.464 407 1HB LEU 50 2HB LEU 50 1.231 4.937 -3.089 408 2HB LEU 50 1HB LEU 50 0.603 5.753 -1.670 409 HG LEU 50 HG LEU 50 -1.576 5.985 -2.705 410 1HD1 LEU 50 1HD1 LEU 50 -0.077 5.246 -5.117 411 2HD1 LEU 50 2HD1 LEU 50 -1.529 6.230 -4.935 412 3HD1 LEU 50 3HD1 LEU 50 -1.652 4.472 -4.951 413 1HD2 LEU 50 1HD2 LEU 50 -1.682 4.004 -1.622 414 2HD2 LEU 50 2HD2 LEU 50 -0.277 3.344 -2.459 415 3HD2 LEU 50 3HD2 LEU 50 -1.845 3.385 -3.265 416 H GLU 51 H GLU 51 0.656 9.226 -2.082 417 HA GLU 51 HA GLU 51 3.357 9.258 -0.934 418 1HB GLU 51 2HB GLU 51 1.379 11.370 -1.656 419 2HB GLU 51 1HB GLU 51 2.498 11.696 -0.340 420 1HG GLU 51 2HG GLU 51 4.226 11.981 -1.720 421 2HG GLU 51 1HG GLU 51 3.780 10.599 -2.720 422 H ASP 52 H ASP 52 3.654 9.851 1.285 423 HA ASP 52 HA ASP 52 1.801 8.558 3.028 424 1HB ASP 52 2HB ASP 52 4.280 10.188 3.608 425 2HB ASP 52 1HB ASP 52 3.369 9.295 4.823 426 H GLY 53 H GLY 53 1.464 11.440 1.599 427 1HA GLY 53 2HA GLY 53 0.345 12.748 3.989 428 2HA GLY 53 1HA GLY 53 0.849 13.589 2.529 429 H ARG 54 H ARG 54 -0.533 11.003 1.269 430 HA ARG 54 HA ARG 54 -3.199 12.254 1.193 431 1HB ARG 54 2HB ARG 54 -1.751 10.598 -0.877 432 2HB ARG 54 1HB ARG 54 -3.434 11.085 -1.016 433 1HG ARG 54 2HG ARG 54 -2.483 13.485 -0.683 434 2HG ARG 54 1HG ARG 54 -0.964 12.744 -1.191 435 1HD ARG 54 2HD ARG 54 -1.611 12.949 -3.303 436 2HD ARG 54 1HD ARG 54 -2.930 11.827 -2.976 437 HE ARG 54 HE ARG 54 -4.397 13.611 -2.850 438 1HH1 ARG 54 2HH1 ARG 54 -1.113 14.745 -3.086 439 2HH1 ARG 54 1HH1 ARG 54 -1.566 16.385 -3.414 440 1HH2 ARG 54 1HH2 ARG 54 -5.005 15.767 -3.281 441 2HH2 ARG 54 2HH2 ARG 54 -3.778 16.966 -3.524 442 H THR 55 H THR 55 -4.934 10.576 0.497 443 HA THR 55 HA THR 55 -4.526 8.085 2.018 444 HB THR 55 HB THR 55 -6.753 8.196 2.908 445 HG1 THR 55 HG1 THR 55 -7.001 10.381 1.133 446 1HG2 THR 55 1HG2 THR 55 -6.553 10.714 3.887 447 2HG2 THR 55 2HG2 THR 55 -4.906 10.455 3.313 448 3HG2 THR 55 3HG2 THR 55 -5.615 9.345 4.486 449 H LEU 56 H LEU 56 -5.937 6.312 1.394 450 HA LEU 56 HA LEU 56 -5.922 5.708 -1.275 451 1HB LEU 56 2HB LEU 56 -8.045 4.730 0.628 452 2HB LEU 56 1HB LEU 56 -7.433 3.909 -0.795 453 HG LEU 56 HG LEU 56 -6.153 4.230 1.891 454 1HD1 LEU 56 1HD1 LEU 56 -6.158 1.836 0.090 455 2HD1 LEU 56 2HD1 LEU 56 -7.548 2.224 1.102 456 3HD1 LEU 56 3HD1 LEU 56 -5.978 1.908 1.843 457 1HD2 LEU 56 1HD2 LEU 56 -4.529 5.061 0.225 458 2HD2 LEU 56 2HD2 LEU 56 -4.669 3.529 -0.637 459 3HD2 LEU 56 3HD2 LEU 56 -4.015 3.564 1.000 460 H SER 57 H SER 57 -8.611 7.113 0.569 461 HA SER 57 HA SER 57 -10.506 7.203 -1.464 462 1HB SER 57 2HB SER 57 -11.489 9.124 -0.165 463 2HB SER 57 1HB SER 57 -11.160 7.686 0.800 464 HG SER 57 HG SER 57 -10.392 10.020 1.416 465 H ASP 58 H ASP 58 -7.893 9.437 -0.685 466 HA ASP 58 HA ASP 58 -8.601 11.518 -2.426 467 1HB ASP 58 2HB ASP 58 -5.927 10.612 -1.357 468 2HB ASP 58 1HB ASP 58 -6.112 12.048 -2.361 469 H TYR 59 H TYR 59 -7.189 8.415 -3.018 470 HA TYR 59 HA TYR 59 -6.476 9.165 -5.760 471 1HB TYR 59 2HB TYR 59 -5.919 6.617 -4.226 472 2HB TYR 59 1HB TYR 59 -5.358 6.968 -5.857 473 HD1 TYR 59 HD1 TYR 59 -3.567 8.584 -6.240 474 HD2 TYR 59 HD2 TYR 59 -4.897 7.669 -2.294 475 HE1 TYR 59 HE1 TYR 59 -1.541 9.641 -5.318 476 HE2 TYR 59 HE2 TYR 59 -2.875 8.724 -1.362 477 HH TYR 59 HH TYR 59 -0.626 10.496 -3.381 478 H ASN 60 H ASN 60 -9.174 8.250 -4.246 479 HA ASN 60 HA ASN 60 -11.144 7.329 -4.908 480 1HB ASN 60 2HB ASN 60 -9.762 7.921 -7.456 481 2HB ASN 60 1HB ASN 60 -11.082 6.758 -7.554 482 1HD2 ASN 60 1HD2 ASN 60 -10.415 9.862 -7.992 483 2HD2 ASN 60 2HD2 ASN 60 -11.930 10.583 -7.581 484 H ILE 61 H ILE 61 -9.464 5.593 -3.708 485 HA ILE 61 HA ILE 61 -9.144 3.208 -5.314 486 HB ILE 61 HB ILE 61 -8.637 3.751 -2.389 487 1HG1 ILE 61 2HG1 ILE 61 -6.797 3.293 -4.749 488 2HG1 ILE 61 1HG1 ILE 61 -7.053 4.818 -3.907 489 1HG2 ILE 61 1HG2 ILE 61 -8.695 1.561 -2.035 490 2HG2 ILE 61 2HG2 ILE 61 -7.331 1.395 -3.141 491 3HG2 ILE 61 3HG2 ILE 61 -8.981 1.241 -3.746 492 1HD1 ILE 61 1HD1 ILE 61 -6.261 2.808 -2.035 493 2HD1 ILE 61 2HD1 ILE 61 -5.469 4.327 -2.452 494 3HD1 ILE 61 3HD1 ILE 61 -5.121 2.868 -3.380 495 H GLN 62 H GLN 62 -10.599 1.639 -5.539 496 HA GLN 62 HA GLN 62 -12.986 1.692 -3.839 497 1HB GLN 62 2HB GLN 62 -12.519 0.208 -6.432 498 2HB GLN 62 1HB GLN 62 -14.047 0.347 -5.573 499 1HG GLN 62 2HG GLN 62 -12.520 2.651 -6.763 500 2HG GLN 62 1HG GLN 62 -13.893 1.842 -7.518 501 1HE2 GLN 62 1HE2 GLN 62 -12.856 3.957 -4.965 502 2HE2 GLN 62 2HE2 GLN 62 -14.424 4.537 -4.530 503 H LYS 63 H LYS 63 -13.982 -0.658 -3.648 504 HA LYS 63 HA LYS 63 -12.175 -2.121 -2.002 505 1HB LYS 63 2HB LYS 63 -14.008 -3.378 -1.353 506 2HB LYS 63 1HB LYS 63 -14.760 -1.861 -1.826 507 1HG LYS 63 2HG LYS 63 -15.298 -2.836 -4.020 508 2HG LYS 63 1HG LYS 63 -14.600 -4.367 -3.487 509 1HD LYS 63 2HD LYS 63 -16.608 -3.231 -1.671 510 2HD LYS 63 1HD LYS 63 -17.225 -3.701 -3.257 511 1HE LYS 63 2HE LYS 63 -15.777 -5.870 -2.741 512 2HE LYS 63 1HE LYS 63 -16.090 -5.371 -1.079 513 1HZ LYS 63 1HZ LYS 63 -18.227 -5.715 -3.107 514 2HZ LYS 63 2HZ LYS 63 -18.416 -5.504 -1.441 515 3HZ LYS 63 3HZ LYS 63 -17.750 -6.939 -2.040 516 H GLU 64 H GLU 64 -12.369 -2.012 -5.280 517 HA GLU 64 HA GLU 64 -11.340 -4.756 -5.517 518 1HB GLU 64 2HB GLU 64 -12.845 -3.473 -7.770 519 2HB GLU 64 1HB GLU 64 -12.539 -5.178 -7.471 520 1HG GLU 64 2HG GLU 64 -14.058 -4.964 -5.464 521 2HG GLU 64 1HG GLU 64 -14.510 -3.381 -6.096 522 H SER 65 H SER 65 -10.265 -1.861 -5.371 523 HA SER 65 HA SER 65 -8.971 -1.487 -7.911 524 1HB SER 65 2HB SER 65 -8.737 -0.116 -5.236 525 2HB SER 65 1HB SER 65 -7.688 0.295 -6.593 526 HG SER 65 HG SER 65 -10.449 0.218 -7.023 527 H THR 66 H THR 66 -6.743 -1.649 -8.340 528 HA THR 66 HA THR 66 -5.275 -3.425 -6.499 529 HB THR 66 HB THR 66 -5.260 -3.402 -9.519 530 HG1 THR 66 HG1 THR 66 -6.918 -4.651 -8.644 531 1HG2 THR 66 1HG2 THR 66 -3.014 -3.774 -9.066 532 2HG2 THR 66 2HG2 THR 66 -3.665 -5.413 -9.090 533 3HG2 THR 66 3HG2 THR 66 -3.354 -4.611 -7.550 534 H ILE 67 H ILE 67 -2.995 -3.166 -6.395 535 HA ILE 67 HA ILE 67 -1.920 -0.692 -7.548 536 HB ILE 67 HB ILE 67 -1.545 -1.440 -4.647 537 1HG1 ILE 67 2HG1 ILE 67 -2.854 0.804 -4.387 538 2HG1 ILE 67 1HG1 ILE 67 -3.435 0.453 -6.012 539 1HG2 ILE 67 1HG2 ILE 67 0.360 -0.270 -5.409 540 2HG2 ILE 67 2HG2 ILE 67 -0.630 0.914 -4.558 541 3HG2 ILE 67 3HG2 ILE 67 -0.618 0.878 -6.322 542 1HD1 ILE 67 1HD1 ILE 67 -4.906 -1.011 -5.248 543 2HD1 ILE 67 2HD1 ILE 67 -4.512 -0.442 -3.626 544 3HD1 ILE 67 3HD1 ILE 67 -3.682 -1.848 -4.293 545 H HIS 68 H HIS 68 0.351 -0.647 -7.774 546 HA HIS 68 HA HIS 68 1.573 -3.319 -7.735 547 1HB HIS 68 2HB HIS 68 1.747 -1.002 -9.546 548 2HB HIS 68 1HB HIS 68 3.287 -1.785 -9.201 549 HD1 HIS 68 HD1 HIS 68 2.695 -4.684 -9.280 550 HD2 HIS 68 HD2 HIS 68 0.878 -2.009 -11.888 551 HE1 HIS 68 HE1 HIS 68 1.956 -6.063 -11.248 552 HE2 HIS 68 HE2 HIS 68 0.944 -4.407 -12.855 553 H LEU 69 H LEU 69 3.304 -3.749 -6.506 554 HA LEU 69 HA LEU 69 4.371 -1.568 -4.860 555 1HB LEU 69 2HB LEU 69 3.574 -3.310 -3.493 556 2HB LEU 69 1HB LEU 69 4.269 -4.549 -4.520 557 HG LEU 69 HG LEU 69 6.550 -3.528 -3.797 558 1HD1 LEU 69 1HD1 LEU 69 6.288 -1.701 -2.525 559 2HD1 LEU 69 2HD1 LEU 69 5.988 -2.857 -1.227 560 3HD1 LEU 69 3HD1 LEU 69 4.633 -2.121 -2.082 561 1HD2 LEU 69 1HD2 LEU 69 4.891 -5.070 -1.808 562 2HD2 LEU 69 2HD2 LEU 69 6.651 -5.045 -1.926 563 3HD2 LEU 69 3HD2 LEU 69 5.690 -5.772 -3.214 564 H VAL 70 H VAL 70 6.506 -1.038 -4.840 565 HA VAL 70 HA VAL 70 8.279 -2.546 -6.647 566 HB VAL 70 HB VAL 70 8.773 0.359 -6.304 567 1HG1 VAL 70 1HG1 VAL 70 10.284 -1.018 -7.615 568 2HG1 VAL 70 2HG1 VAL 70 9.466 0.152 -8.651 569 3HG1 VAL 70 3HG1 VAL 70 8.949 -1.534 -8.645 570 1HG2 VAL 70 1HG2 VAL 70 6.684 -0.609 -8.244 571 2HG2 VAL 70 2HG2 VAL 70 7.163 1.054 -7.906 572 3HG2 VAL 70 3HG2 VAL 70 6.297 0.121 -6.686 573 H LEU 71 H LEU 71 10.179 -3.147 -5.807 574 HA LEU 71 HA LEU 71 10.745 -2.885 -3.080 575 1HB LEU 71 2HB LEU 71 11.971 -4.094 -5.399 576 2HB LEU 71 1HB LEU 71 13.189 -3.371 -4.363 577 HG LEU 71 HG LEU 71 12.630 -5.824 -3.962 578 1HD1 LEU 71 1HD1 LEU 71 12.241 -4.987 -1.337 579 2HD1 LEU 71 2HD1 LEU 71 13.115 -3.666 -2.112 580 3HD1 LEU 71 3HD1 LEU 71 13.781 -5.299 -2.137 581 1HD2 LEU 71 1HD2 LEU 71 10.234 -4.670 -2.557 582 2HD2 LEU 71 2HD2 LEU 71 10.680 -6.369 -2.719 583 3HD2 LEU 71 3HD2 LEU 71 10.156 -5.454 -4.134 584 H ARG 72 H ARG 72 11.636 -0.916 -5.821 585 HA ARG 72 HA ARG 72 12.693 1.089 -6.003 586 1HB ARG 72 2HB ARG 72 11.070 1.292 -3.804 587 2HB ARG 72 1HB ARG 72 12.633 1.743 -3.139 588 1HG ARG 72 2HG ARG 72 11.216 3.029 -5.460 589 2HG ARG 72 1HG ARG 72 11.482 3.717 -3.857 590 1HD ARG 72 2HD ARG 72 13.905 3.655 -4.249 591 2HD ARG 72 1HD ARG 72 13.622 2.994 -5.858 592 HE ARG 72 HE ARG 72 12.203 5.406 -5.579 593 1HH1 ARG 72 2HH1 ARG 72 15.462 4.212 -5.860 594 2HH1 ARG 72 1HH1 ARG 72 16.064 5.654 -6.609 595 1HH2 ARG 72 1HH2 ARG 72 12.984 7.310 -6.564 596 2HH2 ARG 72 2HH2 ARG 72 14.655 7.415 -7.010 597 H LEU 73 H LEU 73 14.704 0.153 -6.504 598 HA LEU 73 HA LEU 73 16.783 0.789 -4.619 599 1HB LEU 73 2HB LEU 73 15.830 -1.694 -4.305 600 2HB LEU 73 1HB LEU 73 16.970 -2.004 -5.599 601 HG LEU 73 HG LEU 73 18.751 -0.951 -4.168 602 1HD1 LEU 73 1HD1 LEU 73 18.059 0.229 -2.414 603 2HD1 LEU 73 2HD1 LEU 73 17.721 -1.312 -1.626 604 3HD1 LEU 73 3HD1 LEU 73 16.440 -0.465 -2.492 605 1HD2 LEU 73 1HD2 LEU 73 17.777 -3.514 -4.211 606 2HD2 LEU 73 2HD2 LEU 73 17.831 -3.146 -2.487 607 3HD2 LEU 73 3HD2 LEU 73 19.290 -3.000 -3.465 608 H ARG 74 H ARG 74 17.799 2.095 -6.044 609 HA ARG 74 HA ARG 74 18.832 0.830 -8.491 610 1HB ARG 74 2HB ARG 74 16.915 2.779 -8.529 611 2HB ARG 74 1HB ARG 74 18.386 3.732 -8.659 612 1HG ARG 74 2HG ARG 74 17.792 3.323 -10.865 613 2HG ARG 74 1HG ARG 74 19.037 2.116 -10.539 614 1HD ARG 74 2HD ARG 74 17.301 0.443 -10.120 615 2HD ARG 74 1HD ARG 74 16.057 1.651 -10.438 616 HE ARG 74 HE ARG 74 17.491 0.149 -12.368 617 1HH1 ARG 74 2HH1 ARG 74 16.130 3.300 -11.785 618 2HH1 ARG 74 1HH1 ARG 74 15.882 3.647 -13.465 619 1HH2 ARG 74 1HH2 ARG 74 17.169 0.594 -14.582 620 2HH2 ARG 74 2HH2 ARG 74 16.473 2.107 -15.054 621 H GLY 75 H GLY 75 19.196 3.578 -6.257 622 1HA GLY 75 2HA GLY 75 21.274 3.931 -5.094 623 2HA GLY 75 1HA GLY 75 22.113 3.222 -6.464 624 H GLY 76 HN GLY 76 23.503 5.005 -6.651 625 1HA GLY 76 2HA GLY 76 24.116 6.902 -7.838 626 2HA GLY 76 1HA GLY 76 22.428 7.144 -8.260 Start of MODEL 14 1 2H MET 1 2H MET 1 -12.130 -1.799 3.662 2 3H MET 1 3H MET 1 -13.528 -2.656 4.076 3 1H MET 1 1H MET 1 -13.653 -1.141 3.332 4 HA MET 1 HA MET 1 -13.894 -3.409 2.016 5 1HB MET 1 2HB MET 1 -13.145 -2.097 -0.022 6 2HB MET 1 1HB MET 1 -14.375 -1.331 0.974 7 1HG MET 1 2HG MET 1 -12.452 -0.095 2.100 8 2HG MET 1 1HG MET 1 -11.464 -0.654 0.751 9 1HE MET 1 1HE MET 1 -11.552 1.376 -1.736 10 2HE MET 1 2HE MET 1 -10.699 0.998 -0.240 11 3HE MET 1 3HE MET 1 -11.404 2.597 -0.473 12 H GLN 2 H GLN 2 -12.604 -4.492 0.337 13 HA GLN 2 HA GLN 2 -9.892 -4.999 1.329 14 1HB GLN 2 2HB GLN 2 -11.845 -6.765 0.762 15 2HB GLN 2 1HB GLN 2 -11.049 -6.700 -0.805 16 1HG GLN 2 2HG GLN 2 -9.311 -7.891 -0.095 17 2HG GLN 2 1HG GLN 2 -9.178 -6.970 1.403 18 1HE2 GLN 2 1HE2 GLN 2 -8.630 -9.458 1.760 19 2HE2 GLN 2 2HE2 GLN 2 -9.932 -10.353 2.457 20 H VAL 3 H VAL 3 -8.176 -5.395 -0.270 21 HA VAL 3 HA VAL 3 -8.559 -4.018 -2.827 22 HB VAL 3 HB VAL 3 -6.424 -2.803 -2.546 23 1HG1 VAL 3 1HG1 VAL 3 -8.136 -1.346 -2.169 24 2HG1 VAL 3 2HG1 VAL 3 -7.368 -1.297 -0.582 25 3HG1 VAL 3 3HG1 VAL 3 -8.798 -2.296 -0.838 26 1HG2 VAL 3 1HG2 VAL 3 -6.554 -3.382 0.389 27 2HG2 VAL 3 2HG2 VAL 3 -5.212 -2.752 -0.565 28 3HG2 VAL 3 3HG2 VAL 3 -5.670 -4.449 -0.702 29 H PHE 4 H PHE 4 -6.780 -4.405 -4.352 30 HA PHE 4 HA PHE 4 -5.480 -7.001 -3.849 31 1HB PHE 4 2HB PHE 4 -6.353 -5.860 -6.512 32 2HB PHE 4 1HB PHE 4 -5.629 -7.442 -6.244 33 HD1 PHE 4 HD1 PHE 4 -8.456 -6.364 -7.372 34 HD2 PHE 4 HD2 PHE 4 -7.108 -8.309 -3.824 35 HE1 PHE 4 HE1 PHE 4 -10.701 -7.332 -7.055 36 HE2 PHE 4 HE2 PHE 4 -9.351 -9.282 -3.501 37 HZ PHE 4 HZ PHE 4 -11.150 -8.793 -5.117 38 H LEU 5 H LEU 5 -3.364 -6.808 -3.575 39 HA LEU 5 HA LEU 5 -1.947 -4.685 -5.047 40 1HB LEU 5 2HB LEU 5 -1.940 -4.403 -2.597 41 2HB LEU 5 1HB LEU 5 -1.184 -5.977 -2.429 42 HG LEU 5 HG LEU 5 0.678 -4.950 -3.947 43 1HD1 LEU 5 1HD1 LEU 5 0.966 -2.575 -3.712 44 2HD1 LEU 5 2HD1 LEU 5 -0.494 -2.456 -2.729 45 3HD1 LEU 5 3HD1 LEU 5 -0.611 -2.895 -4.434 46 1HD2 LEU 5 1HD2 LEU 5 1.202 -3.647 -1.513 47 2HD2 LEU 5 2HD2 LEU 5 1.736 -5.250 -2.019 48 3HD2 LEU 5 3HD2 LEU 5 0.230 -5.066 -1.120 49 H LYS 6 H LYS 6 -0.223 -5.204 -6.281 50 HA LYS 6 HA LYS 6 0.412 -8.062 -6.522 51 1HB LYS 6 2HB LYS 6 1.168 -5.942 -8.518 52 2HB LYS 6 1HB LYS 6 1.015 -7.676 -8.768 53 1HG LYS 6 2HG LYS 6 -1.510 -6.960 -7.974 54 2HG LYS 6 1HG LYS 6 -0.991 -5.575 -8.936 55 1HD LYS 6 2HD LYS 6 -0.163 -7.792 -10.396 56 2HD LYS 6 1HD LYS 6 -1.761 -8.230 -9.788 57 1HE LYS 6 2HE LYS 6 -1.768 -5.516 -10.725 58 2HE LYS 6 1HE LYS 6 -1.143 -6.586 -11.979 59 1HZ LYS 6 1HZ LYS 6 -3.135 -7.982 -11.655 60 2HZ LYS 6 2HZ LYS 6 -3.506 -6.422 -12.194 61 3HZ LYS 6 3HZ LYS 6 -3.745 -6.833 -10.571 62 H THR 7 H THR 7 2.620 -8.709 -6.817 63 HA THR 7 HA THR 7 4.504 -6.878 -5.489 64 HB THR 7 HB THR 7 5.302 -8.580 -4.269 65 HG1 THR 7 HG1 THR 7 6.042 -10.465 -5.191 66 1HG2 THR 7 1HG2 THR 7 3.033 -10.211 -5.407 67 2HG2 THR 7 2HG2 THR 7 2.837 -8.979 -4.159 68 3HG2 THR 7 3HG2 THR 7 3.813 -10.412 -3.838 69 H LEU 8 H LEU 8 6.891 -7.954 -6.082 70 HA LEU 8 HA LEU 8 7.244 -7.183 -8.832 71 1HB LEU 8 2HB LEU 8 9.286 -8.254 -6.884 72 2HB LEU 8 1HB LEU 8 9.619 -7.427 -8.393 73 HG LEU 8 HG LEU 8 8.105 -6.076 -6.177 74 1HD1 LEU 8 1HD1 LEU 8 10.137 -6.755 -5.133 75 2HD1 LEU 8 2HD1 LEU 8 10.296 -5.049 -5.549 76 3HD1 LEU 8 3HD1 LEU 8 11.088 -6.276 -6.539 77 1HD2 LEU 8 1HD2 LEU 8 7.896 -4.681 -7.946 78 2HD2 LEU 8 2HD2 LEU 8 9.331 -5.310 -8.755 79 3HD2 LEU 8 3HD2 LEU 8 9.500 -4.165 -7.426 80 H THR 9 H THR 9 6.430 -10.047 -7.352 81 HA THR 9 HA THR 9 7.818 -11.717 -9.323 82 HB THR 9 HB THR 9 6.629 -13.575 -7.883 83 HG1 THR 9 HG1 THR 9 5.586 -12.735 -6.248 84 1HG2 THR 9 1HG2 THR 9 8.651 -13.938 -6.908 85 2HG2 THR 9 2HG2 THR 9 8.809 -12.269 -6.359 86 3HG2 THR 9 3HG2 THR 9 9.150 -12.682 -8.040 87 H GLY 10 H GLY 10 4.644 -10.622 -8.351 88 1HA GLY 10 2HA GLY 10 2.950 -10.468 -10.093 89 2HA GLY 10 1HA GLY 10 3.530 -12.009 -10.708 90 H LYS 11 H LYS 11 2.940 -11.212 -7.326 91 HA LYS 11 HA LYS 11 0.926 -13.350 -7.259 92 1HB LYS 11 2HB LYS 11 3.144 -12.897 -5.657 93 2HB LYS 11 1HB LYS 11 1.802 -12.330 -4.673 94 1HG LYS 11 2HG LYS 11 1.146 -14.846 -5.888 95 2HG LYS 11 1HG LYS 11 2.676 -14.960 -5.015 96 1HD LYS 11 2HD LYS 11 0.871 -13.469 -3.415 97 2HD LYS 11 1HD LYS 11 0.030 -14.917 -3.971 98 1HE LYS 11 2HE LYS 11 2.761 -15.444 -3.104 99 2HE LYS 11 1HE LYS 11 1.755 -14.762 -1.828 100 1HZ LYS 11 1HZ LYS 11 0.417 -16.816 -3.306 101 2HZ LYS 11 2HZ LYS 11 0.627 -16.654 -1.636 102 3HZ LYS 11 3HZ LYS 11 1.835 -17.377 -2.573 103 H THR 12 H THR 12 -1.015 -13.057 -6.054 104 HA THR 12 HA THR 12 -1.914 -10.268 -6.044 105 HB THR 12 HB THR 12 -3.600 -12.767 -5.822 106 HG1 THR 12 HG1 THR 12 -4.039 -12.316 -8.069 107 1HG2 THR 12 1HG2 THR 12 -4.456 -10.465 -5.020 108 2HG2 THR 12 2HG2 THR 12 -5.469 -11.403 -6.117 109 3HG2 THR 12 3HG2 THR 12 -4.511 -10.058 -6.734 110 H VAL 13 H VAL 13 -1.653 -9.291 -4.144 111 HA VAL 13 HA VAL 13 -2.083 -10.817 -1.673 112 HB VAL 13 HB VAL 13 -1.058 -8.020 -1.619 113 1HG1 VAL 13 1HG1 VAL 13 -1.195 -10.308 0.127 114 2HG1 VAL 13 2HG1 VAL 13 -0.819 -8.628 0.506 115 3HG1 VAL 13 3HG1 VAL 13 0.463 -9.722 -0.014 116 1HG2 VAL 13 1HG2 VAL 13 0.126 -9.268 -3.485 117 2HG2 VAL 13 2HG2 VAL 13 0.780 -10.318 -2.229 118 3HG2 VAL 13 3HG2 VAL 13 1.148 -8.593 -2.216 119 H THR 14 H THR 14 -3.936 -10.588 -0.621 120 HA THR 14 HA THR 14 -5.657 -8.300 -1.255 121 HB THR 14 HB THR 14 -6.983 -10.143 0.464 122 HG1 THR 14 HG1 THR 14 -6.344 -11.589 -1.804 123 1HG2 THR 14 1HG2 THR 14 -7.826 -8.608 -1.422 124 2HG2 THR 14 2HG2 THR 14 -8.590 -10.187 -1.239 125 3HG2 THR 14 3HG2 THR 14 -7.389 -9.930 -2.504 126 H ILE 15 H ILE 15 -6.019 -6.720 0.164 127 HA ILE 15 HA ILE 15 -5.491 -7.215 3.013 128 HB ILE 15 HB ILE 15 -4.597 -4.711 1.584 129 1HG1 ILE 15 2HG1 ILE 15 -3.053 -7.168 2.425 130 2HG1 ILE 15 1HG1 ILE 15 -3.173 -6.471 0.812 131 1HG2 ILE 15 1HG2 ILE 15 -3.400 -4.279 3.697 132 2HG2 ILE 15 2HG2 ILE 15 -4.151 -5.716 4.390 133 3HG2 ILE 15 3HG2 ILE 15 -5.150 -4.345 3.907 134 1HD1 ILE 15 1HD1 ILE 15 -1.452 -5.726 3.074 135 2HD1 ILE 15 2HD1 ILE 15 -2.112 -4.391 2.129 136 3HD1 ILE 15 3HD1 ILE 15 -1.155 -5.643 1.337 137 H GLU 16 H GLU 16 -6.714 -5.993 4.457 138 HA GLU 16 HA GLU 16 -9.098 -4.767 3.275 139 1HB GLU 16 2HB GLU 16 -9.927 -4.934 5.701 140 2HB GLU 16 1HB GLU 16 -9.741 -6.431 4.797 141 1HG GLU 16 2HG GLU 16 -7.349 -5.646 6.273 142 2HG GLU 16 1HG GLU 16 -8.756 -5.948 7.294 143 H VAL 17 H VAL 17 -9.288 -2.636 3.228 144 HA VAL 17 HA VAL 17 -8.070 -1.024 5.349 145 HB VAL 17 HB VAL 17 -7.449 0.656 3.480 146 1HG1 VAL 17 1HG1 VAL 17 -5.568 -0.024 4.522 147 2HG1 VAL 17 2HG1 VAL 17 -5.320 -0.940 3.034 148 3HG1 VAL 17 3HG1 VAL 17 -6.016 -1.728 4.451 149 1HG2 VAL 17 1HG2 VAL 17 -6.850 -0.344 1.344 150 2HG2 VAL 17 2HG2 VAL 17 -8.572 -0.556 1.665 151 3HG2 VAL 17 3HG2 VAL 17 -7.461 -1.906 1.887 152 H GLU 18 H GLU 18 -8.862 1.255 5.298 153 HA GLU 18 HA GLU 18 -11.654 1.338 4.361 154 1HB GLU 18 2HB GLU 18 -10.326 2.442 6.817 155 2HB GLU 18 1HB GLU 18 -11.812 3.161 6.210 156 1HG GLU 18 2HG GLU 18 -11.470 0.270 6.974 157 2HG GLU 18 1HG GLU 18 -12.203 1.515 7.986 158 HA PRO 19 HA PRO 19 -10.876 4.700 1.641 159 1HB PRO 19 2HB PRO 19 -13.194 6.032 2.957 160 2HB PRO 19 1HB PRO 19 -12.897 5.725 1.242 161 1HG PRO 19 2HG PRO 19 -14.647 4.248 2.605 162 2HG PRO 19 1HG PRO 19 -13.590 3.515 1.384 163 1HD PRO 19 2HD PRO 19 -13.409 3.409 4.360 164 2HD PRO 19 1HD PRO 19 -13.004 2.166 3.158 165 H SER 20 H SER 20 -11.495 5.411 5.041 166 HA SER 20 HA SER 20 -10.170 7.989 4.852 167 1HB SER 20 2HB SER 20 -10.823 8.317 7.147 168 2HB SER 20 1HB SER 20 -12.202 7.635 6.284 169 HG SER 20 HG SER 20 -12.143 6.283 7.914 170 H ASP 21 H ASP 21 -8.747 5.358 4.452 171 HA ASP 21 HA ASP 21 -6.876 5.366 6.693 172 1HB ASP 21 2HB ASP 21 -7.343 3.519 4.371 173 2HB ASP 21 1HB ASP 21 -5.837 3.447 5.280 174 H THR 22 H THR 22 -4.589 5.546 6.361 175 HA THR 22 HA THR 22 -3.943 7.402 4.186 176 HB THR 22 HB THR 22 -2.014 8.068 5.477 177 HG1 THR 22 HG1 THR 22 -2.112 6.951 7.758 178 1HG2 THR 22 1HG2 THR 22 -4.371 8.894 6.070 179 2HG2 THR 22 2HG2 THR 22 -3.089 9.166 7.251 180 3HG2 THR 22 3HG2 THR 22 -4.239 7.849 7.485 181 H VAL 23 H VAL 23 -2.049 7.151 2.936 182 HA VAL 23 HA VAL 23 -1.566 4.614 1.931 183 HB VAL 23 HB VAL 23 0.330 6.968 1.874 184 1HG1 VAL 23 1HG1 VAL 23 1.669 5.301 1.087 185 2HG1 VAL 23 2HG1 VAL 23 0.833 5.718 -0.409 186 3HG1 VAL 23 3HG1 VAL 23 0.312 4.320 0.531 187 1HG2 VAL 23 1HG2 VAL 23 -1.283 7.947 0.676 188 2HG2 VAL 23 2HG2 VAL 23 -2.211 6.453 0.555 189 3HG2 VAL 23 3HG2 VAL 23 -0.907 6.774 -0.586 190 H GLU 24 H GLU 24 -0.021 6.314 4.579 191 HA GLU 24 HA GLU 24 2.253 4.708 4.881 192 1HB GLU 24 2HB GLU 24 1.124 6.869 6.226 193 2HB GLU 24 1HB GLU 24 1.139 5.581 7.423 194 1HG GLU 24 2HG GLU 24 3.569 5.241 6.854 195 2HG GLU 24 1HG GLU 24 3.471 6.737 5.926 196 H ASN 25 H ASN 25 -0.901 4.488 6.530 197 HA ASN 25 HA ASN 25 -0.401 2.184 8.005 198 1HB ASN 25 2HB ASN 25 -2.721 3.747 7.241 199 2HB ASN 25 1HB ASN 25 -3.097 2.026 7.265 200 1HD2 ASN 25 1HD2 ASN 25 -2.249 4.797 9.130 201 2HD2 ASN 25 2HD2 ASN 25 -2.466 4.081 10.686 202 H PHE 26 H PHE 26 -1.457 2.577 4.670 203 HA PHE 26 HA PHE 26 -2.056 -0.132 4.153 204 1HB PHE 26 2HB PHE 26 -2.744 1.782 2.706 205 2HB PHE 26 1HB PHE 26 -1.071 1.939 2.181 206 HD1 PHE 26 HD1 PHE 26 -2.790 -1.268 2.786 207 HD2 PHE 26 HD2 PHE 26 -1.400 1.518 -0.128 208 HE1 PHE 26 HE1 PHE 26 -3.196 -2.930 1.011 209 HE2 PHE 26 HE2 PHE 26 -1.804 -0.138 -1.909 210 HZ PHE 26 HZ PHE 26 -2.703 -2.365 -1.341 211 H LYS 27 H LYS 27 0.916 1.753 3.848 212 HA LYS 27 HA LYS 27 2.464 -0.271 2.623 213 1HB LYS 27 2HB LYS 27 3.209 2.164 4.238 214 2HB LYS 27 1HB LYS 27 4.412 1.094 3.533 215 1HG LYS 27 2HG LYS 27 3.930 1.739 1.385 216 2HG LYS 27 1HG LYS 27 2.283 2.231 1.787 217 1HD LYS 27 2HD LYS 27 3.024 4.229 2.805 218 2HD LYS 27 1HD LYS 27 4.701 3.682 2.831 219 1HE LYS 27 2HE LYS 27 3.572 3.705 0.153 220 2HE LYS 27 1HE LYS 27 3.531 5.294 0.916 221 1HZ LYS 27 1HZ LYS 27 5.704 5.516 0.634 222 2HZ LYS 27 2HZ LYS 27 5.688 4.109 -0.305 223 3HZ LYS 27 3HZ LYS 27 6.031 4.017 1.349 224 H ALA 28 H ALA 28 1.589 0.399 5.925 225 HA ALA 28 HA ALA 28 3.586 -1.210 7.158 226 1HB ALA 28 1HB ALA 28 1.302 -1.103 8.821 227 2HB ALA 28 2HB ALA 28 1.432 0.454 8.004 228 3HB ALA 28 3HB ALA 28 2.789 -0.164 8.946 229 H LYS 29 H LYS 29 0.240 -1.783 6.154 230 HA LYS 29 HA LYS 29 0.055 -4.411 7.189 231 1HB LYS 29 2HB LYS 29 -1.494 -2.802 5.204 232 2HB LYS 29 1HB LYS 29 -1.776 -4.535 5.291 233 1HG LYS 29 2HG LYS 29 -2.255 -4.289 7.709 234 2HG LYS 29 1HG LYS 29 -2.099 -2.541 7.522 235 1HD LYS 29 2HD LYS 29 -3.854 -3.339 5.503 236 2HD LYS 29 1HD LYS 29 -4.341 -4.257 6.931 237 1HE LYS 29 2HE LYS 29 -3.751 -1.496 7.573 238 2HE LYS 29 1HE LYS 29 -5.003 -1.627 6.338 239 1HZ LYS 29 1HZ LYS 29 -6.465 -2.373 7.821 240 2HZ LYS 29 2HZ LYS 29 -5.384 -1.864 9.017 241 3HZ LYS 29 3HZ LYS 29 -5.373 -3.473 8.499 242 H ILE 30 H ILE 30 1.098 -3.099 4.093 243 HA ILE 30 HA ILE 30 1.323 -5.594 2.753 244 HB ILE 30 HB ILE 30 2.713 -2.971 2.189 245 1HG1 ILE 30 2HG1 ILE 30 0.402 -4.120 0.651 246 2HG1 ILE 30 1HG1 ILE 30 0.119 -3.186 2.116 247 1HG2 ILE 30 1HG2 ILE 30 2.680 -5.587 0.762 248 2HG2 ILE 30 2HG2 ILE 30 4.006 -4.451 1.004 249 3HG2 ILE 30 3HG2 ILE 30 2.745 -4.096 -0.177 250 1HD1 ILE 30 1HD1 ILE 30 0.112 -2.048 -0.237 251 2HD1 ILE 30 2HD1 ILE 30 1.860 -2.030 0.003 252 3HD1 ILE 30 3HD1 ILE 30 0.801 -1.228 1.163 253 H GLN 31 H GLN 31 3.464 -3.710 4.786 254 HA GLN 31 HA GLN 31 5.859 -5.088 4.182 255 1HB GLN 31 2HB GLN 31 6.027 -2.958 5.244 256 2HB GLN 31 1HB GLN 31 5.000 -3.470 6.577 257 1HG GLN 31 2HG GLN 31 6.882 -5.234 6.970 258 2HG GLN 31 1HG GLN 31 7.861 -4.103 6.038 259 1HE2 GLN 31 1HE2 GLN 31 5.889 -4.473 8.913 260 2HE2 GLN 31 2HE2 GLN 31 6.608 -3.178 9.803 261 H ASP 32 H ASP 32 3.330 -5.602 6.584 262 HA ASP 32 HA ASP 32 4.675 -7.634 8.024 263 1HB ASP 32 2HB ASP 32 1.691 -7.594 7.847 264 2HB ASP 32 1HB ASP 32 2.725 -7.864 9.246 265 H LYS 33 H LYS 33 2.431 -7.698 5.298 266 HA LYS 33 HA LYS 33 2.320 -10.565 5.202 267 1HB LYS 33 2HB LYS 33 1.193 -8.316 3.625 268 2HB LYS 33 1HB LYS 33 1.335 -9.870 2.816 269 1HG LYS 33 2HG LYS 33 -0.077 -10.922 4.410 270 2HG LYS 33 1HG LYS 33 -0.047 -9.506 5.461 271 1HD LYS 33 2HD LYS 33 -1.690 -8.505 4.321 272 2HD LYS 33 1HD LYS 33 -0.945 -8.880 2.766 273 1HE LYS 33 2HE LYS 33 -3.183 -9.902 3.059 274 2HE LYS 33 1HE LYS 33 -1.905 -11.082 2.776 275 1HZ LYS 33 1HZ LYS 33 -2.605 -10.414 5.544 276 2HZ LYS 33 2HZ LYS 33 -2.035 -11.870 4.899 277 3HZ LYS 33 3HZ LYS 33 -3.650 -11.420 4.671 278 H GLU 34 H GLU 34 3.999 -8.040 3.369 279 HA GLU 34 HA GLU 34 5.363 -10.103 1.799 280 1HB GLU 34 2HB GLU 34 4.954 -7.158 1.454 281 2HB GLU 34 1HB GLU 34 6.269 -7.965 0.610 282 1HG GLU 34 2HG GLU 34 3.348 -8.663 0.406 283 2HG GLU 34 1HG GLU 34 4.290 -7.772 -0.790 284 H GLY 35 H GLY 35 5.877 -8.622 4.667 285 1HA GLY 35 2HA GLY 35 7.742 -8.127 5.928 286 2HA GLY 35 1HA GLY 35 8.462 -9.463 5.044 287 H ILE 36 H ILE 36 7.446 -6.220 3.985 288 HA ILE 36 HA ILE 36 10.244 -5.680 3.242 289 HB ILE 36 HB ILE 36 8.035 -4.584 1.562 290 1HG1 ILE 36 2HG1 ILE 36 9.211 -7.353 1.229 291 2HG1 ILE 36 1HG1 ILE 36 7.557 -6.998 1.719 292 1HG2 ILE 36 1HG2 ILE 36 10.572 -4.041 1.460 293 2HG2 ILE 36 2HG2 ILE 36 9.675 -4.298 -0.038 294 3HG2 ILE 36 3HG2 ILE 36 10.686 -5.587 0.618 295 1HD1 ILE 36 1HD1 ILE 36 7.884 -7.630 -0.687 296 2HD1 ILE 36 2HD1 ILE 36 8.713 -6.088 -0.896 297 3HD1 ILE 36 3HD1 ILE 36 7.020 -6.119 -0.403 298 HA PRO 37 HA PRO 37 9.538 -2.104 5.832 299 1HB PRO 37 2HB PRO 37 11.972 -1.150 4.423 300 2HB PRO 37 1HB PRO 37 11.656 -1.291 6.155 301 1HG PRO 37 2HG PRO 37 13.271 -3.014 4.915 302 2HG PRO 37 1HG PRO 37 12.173 -3.551 6.199 303 1HD PRO 37 2HD PRO 37 11.916 -3.852 3.235 304 2HD PRO 37 1HD PRO 37 11.499 -4.998 4.525 305 HA PRO 38 HA PRO 38 7.261 0.417 2.944 306 1HB PRO 38 2HB PRO 38 7.583 2.405 5.140 307 2HB PRO 38 1HB PRO 38 6.120 1.886 4.296 308 1HG PRO 38 2HG PRO 38 6.637 1.034 6.765 309 2HG PRO 38 1HG PRO 38 5.922 -0.052 5.558 310 1HD PRO 38 2HD PRO 38 8.726 0.069 6.577 311 2HD PRO 38 1HD PRO 38 7.754 -1.340 6.110 312 H ASP 39 H ASP 39 10.144 1.552 4.633 313 HA ASP 39 HA ASP 39 10.642 3.897 3.245 314 1HB ASP 39 2HB ASP 39 12.277 1.958 4.765 315 2HB ASP 39 1HB ASP 39 13.163 2.994 3.649 316 H GLN 40 H GLN 40 10.832 0.639 2.158 317 HA GLN 40 HA GLN 40 12.142 1.539 -0.325 318 1HB GLN 40 2HB GLN 40 12.074 -1.275 0.773 319 2HB GLN 40 1HB GLN 40 12.963 -0.717 -0.638 320 1HG GLN 40 2HG GLN 40 14.414 0.615 0.740 321 2HG GLN 40 1HG GLN 40 13.466 0.225 2.176 322 1HE2 GLN 40 1HE2 GLN 40 13.236 -2.203 2.545 323 2HE2 GLN 40 2HE2 GLN 40 14.678 -3.136 2.366 324 H GLN 41 H GLN 41 9.219 1.359 0.623 325 HA GLN 41 HA GLN 41 8.171 -0.447 -1.433 326 1HB GLN 41 2HB GLN 41 6.935 0.901 0.955 327 2HB GLN 41 1HB GLN 41 5.941 0.191 -0.310 328 1HG GLN 41 2HG GLN 41 7.306 -1.942 0.091 329 2HG GLN 41 1HG GLN 41 7.810 -1.166 1.592 330 1HE2 GLN 41 1HE2 GLN 41 6.731 -2.076 3.188 331 2HE2 GLN 41 2HE2 GLN 41 5.032 -2.383 3.222 332 H ARG 42 H ARG 42 6.996 0.243 -3.158 333 HA ARG 42 HA ARG 42 6.380 3.095 -3.396 334 1HB ARG 42 2HB ARG 42 8.587 2.722 -4.461 335 2HB ARG 42 1HB ARG 42 7.853 1.526 -5.520 336 1HG ARG 42 2HG ARG 42 6.240 3.613 -6.012 337 2HG ARG 42 1HG ARG 42 7.729 4.468 -5.606 338 1HD ARG 42 2HD ARG 42 8.340 2.270 -7.328 339 2HD ARG 42 1HD ARG 42 7.043 3.226 -8.044 340 HE ARG 42 HE ARG 42 8.800 5.121 -7.341 341 1HH1 ARG 42 2HH1 ARG 42 9.198 2.107 -9.037 342 2HH1 ARG 42 1HH1 ARG 42 10.536 2.666 -9.984 343 1HH2 ARG 42 1HH2 ARG 42 10.559 5.871 -8.584 344 2HH2 ARG 42 2HH2 ARG 42 11.310 4.808 -9.728 345 H LEU 43 H LEU 43 4.226 3.020 -3.577 346 HA LEU 43 HA LEU 43 3.005 0.952 -5.257 347 1HB LEU 43 2HB LEU 43 1.642 2.908 -3.408 348 2HB LEU 43 1HB LEU 43 0.918 1.508 -4.178 349 HG LEU 43 HG LEU 43 2.976 1.516 -1.975 350 1HD1 LEU 43 1HD1 LEU 43 0.810 -0.100 -1.330 351 2HD1 LEU 43 2HD1 LEU 43 0.097 1.329 -2.079 352 3HD1 LEU 43 3HD1 LEU 43 1.166 1.503 -0.687 353 1HD2 LEU 43 1HD2 LEU 43 2.747 -0.968 -2.080 354 2HD2 LEU 43 2HD2 LEU 43 3.588 -0.255 -3.457 355 3HD2 LEU 43 3HD2 LEU 43 1.909 -0.771 -3.620 356 H ILE 44 H ILE 44 2.562 1.452 -7.287 357 HA ILE 44 HA ILE 44 2.019 4.266 -7.968 358 HB ILE 44 HB ILE 44 3.108 2.026 -9.672 359 1HG1 ILE 44 2HG1 ILE 44 4.241 4.493 -8.407 360 2HG1 ILE 44 1HG1 ILE 44 4.916 2.868 -8.483 361 1HG2 ILE 44 1HG2 ILE 44 3.125 3.532 -11.533 362 2HG2 ILE 44 2HG2 ILE 44 2.518 4.852 -10.534 363 3HG2 ILE 44 3HG2 ILE 44 1.484 3.470 -10.891 364 1HD1 ILE 44 1HD1 ILE 44 6.238 4.280 -9.856 365 2HD1 ILE 44 2HD1 ILE 44 4.813 4.908 -10.683 366 3HD1 ILE 44 3HD1 ILE 44 5.300 3.230 -10.919 367 H PHE 45 H PHE 45 -0.132 4.552 -7.985 368 HA PHE 45 HA PHE 45 -1.784 2.537 -9.360 369 1HB PHE 45 2HB PHE 45 -2.296 2.925 -6.940 370 2HB PHE 45 1HB PHE 45 -2.705 4.590 -7.340 371 HD1 PHE 45 HD1 PHE 45 -4.954 4.288 -6.442 372 HD2 PHE 45 HD2 PHE 45 -3.517 1.930 -9.691 373 HE1 PHE 45 HE1 PHE 45 -7.264 3.599 -6.957 374 HE2 PHE 45 HE2 PHE 45 -5.825 1.237 -10.213 375 HZ PHE 45 HZ PHE 45 -7.701 2.073 -8.846 376 H ALA 46 H ALA 46 -2.663 3.098 -11.234 377 HA ALA 46 HA ALA 46 -3.141 4.354 -13.085 378 1HB ALA 46 1HB ALA 46 -4.660 5.347 -10.828 379 2HB ALA 46 2HB ALA 46 -5.170 5.046 -12.488 380 3HB ALA 46 3HB ALA 46 -4.424 6.586 -12.061 381 H GLY 47 H GLY 47 -0.551 4.747 -12.538 382 1HA GLY 47 2HA GLY 47 1.206 6.180 -12.898 383 2HA GLY 47 1HA GLY 47 0.050 7.189 -13.753 384 H LYS 48 H LYS 48 -0.354 6.395 -10.383 385 HA LYS 48 HA LYS 48 0.487 9.123 -9.656 386 1HB LYS 48 2HB LYS 48 -1.917 7.646 -8.569 387 2HB LYS 48 1HB LYS 48 -1.381 9.248 -8.078 388 1HG LYS 48 2HG LYS 48 -1.998 10.205 -10.124 389 2HG LYS 48 1HG LYS 48 -2.123 8.633 -10.918 390 1HD LYS 48 2HD LYS 48 -4.051 8.085 -9.497 391 2HD LYS 48 1HD LYS 48 -3.933 9.674 -8.740 392 1HE LYS 48 2HE LYS 48 -4.349 10.739 -10.895 393 2HE LYS 48 1HE LYS 48 -4.437 9.158 -11.668 394 1HZ LYS 48 1HZ LYS 48 -6.439 8.677 -10.640 395 2HZ LYS 48 2HZ LYS 48 -6.605 10.320 -11.005 396 3HZ LYS 48 3HZ LYS 48 -6.231 9.840 -9.428 397 H GLN 49 H GLN 49 2.318 8.800 -8.544 398 HA GLN 49 HA GLN 49 2.895 6.494 -7.018 399 1HB GLN 49 2HB GLN 49 4.475 8.310 -8.036 400 2HB GLN 49 1HB GLN 49 4.222 9.132 -6.503 401 1HG GLN 49 2HG GLN 49 4.874 6.359 -6.084 402 2HG GLN 49 1HG GLN 49 6.095 7.158 -7.074 403 1HE2 GLN 49 1HE2 GLN 49 5.807 6.210 -4.153 404 2HE2 GLN 49 2HE2 GLN 49 6.448 7.536 -3.249 405 H LEU 50 H LEU 50 1.401 6.047 -5.448 406 HA LEU 50 HA LEU 50 0.045 7.754 -3.792 407 1HB LEU 50 2HB LEU 50 1.176 5.136 -2.828 408 2HB LEU 50 1HB LEU 50 -0.305 5.921 -2.314 409 HG LEU 50 HG LEU 50 0.223 4.543 -4.941 410 1HD1 LEU 50 1HD1 LEU 50 -0.598 3.493 -2.591 411 2HD1 LEU 50 2HD1 LEU 50 -1.052 2.858 -4.172 412 3HD1 LEU 50 3HD1 LEU 50 -2.146 3.939 -3.309 413 1HD2 LEU 50 1HD2 LEU 50 -1.383 5.701 -5.942 414 2HD2 LEU 50 2HD2 LEU 50 -1.366 6.808 -4.569 415 3HD2 LEU 50 3HD2 LEU 50 -2.485 5.445 -4.589 416 H GLU 51 H GLU 51 0.567 9.121 -2.216 417 HA GLU 51 HA GLU 51 3.297 9.020 -1.138 418 1HB GLU 51 2HB GLU 51 1.318 11.306 -1.140 419 2HB GLU 51 1HB GLU 51 2.969 11.377 -0.540 420 1HG GLU 51 2HG GLU 51 3.016 10.406 -3.214 421 2HG GLU 51 1HG GLU 51 2.027 11.865 -3.153 422 H ASP 52 H ASP 52 3.640 9.421 1.120 423 HA ASP 52 HA ASP 52 1.807 8.013 2.781 424 1HB ASP 52 2HB ASP 52 4.323 9.570 3.373 425 2HB ASP 52 1HB ASP 52 3.394 8.747 4.622 426 H GLY 53 H GLY 53 1.557 11.053 1.596 427 1HA GLY 53 2HA GLY 53 0.424 12.180 4.064 428 2HA GLY 53 1HA GLY 53 0.870 13.100 2.634 429 H ARG 54 H ARG 54 -0.473 10.741 1.112 430 HA ARG 54 HA ARG 54 -3.149 11.941 1.190 431 1HB ARG 54 2HB ARG 54 -1.436 11.062 -0.915 432 2HB ARG 54 1HB ARG 54 -2.894 10.078 -0.949 433 1HG ARG 54 2HG ARG 54 -4.086 11.736 -1.812 434 2HG ARG 54 1HG ARG 54 -3.528 12.870 -0.581 435 1HD ARG 54 2HD ARG 54 -1.474 13.241 -1.854 436 2HD ARG 54 1HD ARG 54 -2.029 12.105 -3.084 437 HE ARG 54 HE ARG 54 -4.026 13.944 -2.949 438 1HH1 ARG 54 2HH1 ARG 54 -0.583 14.133 -3.429 439 2HH1 ARG 54 1HH1 ARG 54 -0.666 15.556 -4.413 440 1HH2 ARG 54 1HH2 ARG 54 -4.150 15.818 -4.244 441 2HH2 ARG 54 2HH2 ARG 54 -2.694 16.515 -4.875 442 H THR 55 H THR 55 -4.949 10.324 0.571 443 HA THR 55 HA THR 55 -4.578 7.845 2.124 444 HB THR 55 HB THR 55 -7.034 8.043 2.696 445 HG1 THR 55 HG1 THR 55 -7.822 9.583 1.358 446 1HG2 THR 55 1HG2 THR 55 -4.770 9.230 3.887 447 2HG2 THR 55 2HG2 THR 55 -6.279 8.756 4.667 448 3HG2 THR 55 3HG2 THR 55 -6.089 10.392 4.037 449 H LEU 56 H LEU 56 -6.551 6.316 1.644 450 HA LEU 56 HA LEU 56 -6.325 5.510 -1.043 451 1HB LEU 56 2HB LEU 56 -8.502 4.743 0.898 452 2HB LEU 56 1HB LEU 56 -7.997 3.846 -0.522 453 HG LEU 56 HG LEU 56 -6.472 4.225 2.047 454 1HD1 LEU 56 1HD1 LEU 56 -8.187 2.190 0.983 455 2HD1 LEU 56 2HD1 LEU 56 -7.418 2.290 2.567 456 3HD1 LEU 56 3HD1 LEU 56 -6.560 1.551 1.215 457 1HD2 LEU 56 1HD2 LEU 56 -4.838 4.470 0.343 458 2HD2 LEU 56 2HD2 LEU 56 -5.531 3.151 -0.601 459 3HD2 LEU 56 3HD2 LEU 56 -4.723 2.811 0.929 460 H SER 57 H SER 57 -9.043 7.015 0.695 461 HA SER 57 HA SER 57 -10.795 7.196 -1.473 462 1HB SER 57 2HB SER 57 -12.120 8.564 -0.127 463 2HB SER 57 1HB SER 57 -11.181 7.667 1.067 464 HG SER 57 HG SER 57 -10.613 9.565 1.751 465 H ASP 58 H ASP 58 -8.081 9.178 -0.543 466 HA ASP 58 HA ASP 58 -8.667 11.452 -2.103 467 1HB ASP 58 2HB ASP 58 -6.087 10.312 -1.038 468 2HB ASP 58 1HB ASP 58 -6.132 11.798 -1.981 469 H TYR 59 H TYR 59 -7.270 8.352 -2.867 470 HA TYR 59 HA TYR 59 -6.606 9.254 -5.576 471 1HB TYR 59 2HB TYR 59 -5.893 6.766 -4.025 472 2HB TYR 59 1HB TYR 59 -5.569 6.937 -5.746 473 HD1 TYR 59 HD1 TYR 59 -4.228 9.107 -6.417 474 HD2 TYR 59 HD2 TYR 59 -4.256 7.396 -2.512 475 HE1 TYR 59 HE1 TYR 59 -2.104 10.248 -5.908 476 HE2 TYR 59 HE2 TYR 59 -2.133 8.534 -1.992 477 HH TYR 59 HH TYR 59 -0.808 10.974 -4.022 478 H ASN 60 H ASN 60 -9.296 8.344 -4.157 479 HA ASN 60 HA ASN 60 -11.244 7.367 -4.803 480 1HB ASN 60 2HB ASN 60 -10.006 7.509 -7.560 481 2HB ASN 60 1HB ASN 60 -11.715 7.272 -7.207 482 1HD2 ASN 60 1HD2 ASN 60 -12.959 8.992 -6.592 483 2HD2 ASN 60 2HD2 ASN 60 -12.408 10.628 -6.652 484 H ILE 61 H ILE 61 -9.635 5.576 -3.685 485 HA ILE 61 HA ILE 61 -9.258 3.292 -5.436 486 HB ILE 61 HB ILE 61 -8.793 3.578 -2.466 487 1HG1 ILE 61 2HG1 ILE 61 -6.957 3.729 -4.859 488 2HG1 ILE 61 1HG1 ILE 61 -7.256 4.977 -3.652 489 1HG2 ILE 61 1HG2 ILE 61 -9.046 1.249 -4.005 490 2HG2 ILE 61 2HG2 ILE 61 -8.439 1.391 -2.356 491 3HG2 ILE 61 3HG2 ILE 61 -7.319 1.461 -3.716 492 1HD1 ILE 61 1HD1 ILE 61 -5.252 2.981 -3.676 493 2HD1 ILE 61 2HD1 ILE 61 -6.312 2.677 -2.301 494 3HD1 ILE 61 3HD1 ILE 61 -5.535 4.249 -2.482 495 H GLN 62 H GLN 62 -10.553 1.549 -5.580 496 HA GLN 62 HA GLN 62 -13.036 1.586 -4.023 497 1HB GLN 62 2HB GLN 62 -12.345 -0.021 -6.490 498 2HB GLN 62 1HB GLN 62 -13.926 0.080 -5.728 499 1HG GLN 62 2HG GLN 62 -12.438 2.246 -7.181 500 2HG GLN 62 1HG GLN 62 -13.967 1.490 -7.627 501 1HE2 GLN 62 1HE2 GLN 62 -12.742 4.247 -6.550 502 2HE2 GLN 62 2HE2 GLN 62 -14.041 4.825 -5.568 503 H LYS 63 H LYS 63 -13.939 -0.769 -3.683 504 HA LYS 63 HA LYS 63 -12.106 -2.060 -1.913 505 1HB LYS 63 2HB LYS 63 -14.681 -3.315 -2.780 506 2HB LYS 63 1HB LYS 63 -13.913 -3.332 -1.200 507 1HG LYS 63 2HG LYS 63 -15.510 -1.846 -0.691 508 2HG LYS 63 1HG LYS 63 -14.416 -0.696 -1.463 509 1HD LYS 63 2HD LYS 63 -15.963 -0.240 -2.990 510 2HD LYS 63 1HD LYS 63 -15.974 -1.932 -3.492 511 1HE LYS 63 2HE LYS 63 -17.412 -1.635 -1.029 512 2HE LYS 63 1HE LYS 63 -18.028 -0.491 -2.221 513 1HZ LYS 63 1HZ LYS 63 -18.479 -2.248 -3.726 514 2HZ LYS 63 2HZ LYS 63 -19.122 -2.713 -2.233 515 3HZ LYS 63 3HZ LYS 63 -17.664 -3.382 -2.771 516 H GLU 64 H GLU 64 -12.277 -2.165 -5.184 517 HA GLU 64 HA GLU 64 -11.155 -4.878 -5.239 518 1HB GLU 64 2HB GLU 64 -12.837 -3.812 -7.493 519 2HB GLU 64 1HB GLU 64 -12.342 -5.470 -7.186 520 1HG GLU 64 2HG GLU 64 -13.928 -5.780 -5.538 521 2HG GLU 64 1HG GLU 64 -14.100 -4.052 -5.234 522 H SER 65 H SER 65 -10.365 -1.824 -5.475 523 HA SER 65 HA SER 65 -9.167 -1.515 -8.009 524 1HB SER 65 2HB SER 65 -8.596 -0.218 -5.339 525 2HB SER 65 1HB SER 65 -7.777 0.249 -6.829 526 HG SER 65 HG SER 65 -9.443 1.465 -7.176 527 H THR 66 H THR 66 -6.919 -1.584 -8.573 528 HA THR 66 HA THR 66 -5.372 -3.507 -6.960 529 HB THR 66 HB THR 66 -5.187 -3.220 -9.960 530 HG1 THR 66 HG1 THR 66 -7.018 -4.551 -8.407 531 1HG2 THR 66 1HG2 THR 66 -4.434 -5.753 -8.752 532 2HG2 THR 66 2HG2 THR 66 -3.481 -4.407 -8.128 533 3HG2 THR 66 3HG2 THR 66 -3.533 -4.721 -9.863 534 H ILE 67 H ILE 67 -3.166 -3.169 -6.745 535 HA ILE 67 HA ILE 67 -2.049 -0.720 -7.915 536 HB ILE 67 HB ILE 67 -1.624 -1.412 -5.014 537 1HG1 ILE 67 2HG1 ILE 67 -3.142 0.887 -5.041 538 2HG1 ILE 67 1HG1 ILE 67 -3.893 -0.080 -6.307 539 1HG2 ILE 67 1HG2 ILE 67 0.108 -0.055 -6.040 540 2HG2 ILE 67 2HG2 ILE 67 -0.821 0.904 -4.887 541 3HG2 ILE 67 3HG2 ILE 67 -1.105 1.088 -6.618 542 1HD1 ILE 67 1HD1 ILE 67 -5.007 -0.482 -4.226 543 2HD1 ILE 67 2HD1 ILE 67 -3.480 -0.879 -3.439 544 3HD1 ILE 67 3HD1 ILE 67 -4.124 -1.934 -4.696 545 H HIS 68 H HIS 68 0.209 -0.708 -8.143 546 HA HIS 68 HA HIS 68 1.424 -3.379 -8.007 547 1HB HIS 68 2HB HIS 68 2.190 -0.951 -9.638 548 2HB HIS 68 1HB HIS 68 3.063 -2.480 -9.646 549 HD1 HIS 68 HD1 HIS 68 2.413 -4.003 -11.474 550 HD2 HIS 68 HD2 HIS 68 -0.668 -1.403 -10.470 551 HE1 HIS 68 HE1 HIS 68 0.558 -4.500 -13.098 552 HE2 HIS 68 HE2 HIS 68 -1.267 -2.862 -12.521 553 H LEU 69 H LEU 69 3.073 -3.789 -6.672 554 HA LEU 69 HA LEU 69 4.163 -1.554 -5.119 555 1HB LEU 69 2HB LEU 69 3.269 -3.201 -3.692 556 2HB LEU 69 1HB LEU 69 3.976 -4.509 -4.621 557 HG LEU 69 HG LEU 69 6.246 -3.407 -3.861 558 1HD1 LEU 69 1HD1 LEU 69 4.207 -2.132 -2.154 559 2HD1 LEU 69 2HD1 LEU 69 5.811 -1.569 -2.626 560 3HD1 LEU 69 3HD1 LEU 69 5.638 -2.754 -1.331 561 1HD2 LEU 69 1HD2 LEU 69 6.436 -5.249 -2.613 562 2HD2 LEU 69 2HD2 LEU 69 4.778 -5.601 -3.100 563 3HD2 LEU 69 3HD2 LEU 69 5.094 -4.785 -1.569 564 H VAL 70 H VAL 70 6.239 -0.958 -5.251 565 HA VAL 70 HA VAL 70 8.124 -2.729 -6.655 566 HB VAL 70 HB VAL 70 8.452 0.189 -7.072 567 1HG1 VAL 70 1HG1 VAL 70 9.440 -2.256 -8.151 568 2HG1 VAL 70 2HG1 VAL 70 9.952 -0.605 -8.500 569 3HG1 VAL 70 3HG1 VAL 70 8.655 -1.343 -9.441 570 1HG2 VAL 70 1HG2 VAL 70 6.227 -1.419 -8.286 571 2HG2 VAL 70 2HG2 VAL 70 6.922 -0.024 -9.110 572 3HG2 VAL 70 3HG2 VAL 70 6.156 0.175 -7.534 573 H LEU 71 H LEU 71 10.269 -2.608 -6.000 574 HA LEU 71 HA LEU 71 10.727 -1.919 -3.304 575 1HB LEU 71 2HB LEU 71 12.153 -3.208 -5.431 576 2HB LEU 71 1HB LEU 71 13.213 -2.053 -4.647 577 HG LEU 71 HG LEU 71 13.176 -4.486 -3.789 578 1HD1 LEU 71 1HD1 LEU 71 13.854 -3.780 -1.669 579 2HD1 LEU 71 2HD1 LEU 71 12.747 -2.408 -1.669 580 3HD1 LEU 71 3HD1 LEU 71 14.174 -2.391 -2.707 581 1HD2 LEU 71 1HD2 LEU 71 10.533 -4.172 -3.629 582 2HD2 LEU 71 2HD2 LEU 71 10.973 -3.641 -2.005 583 3HD2 LEU 71 3HD2 LEU 71 11.433 -5.250 -2.561 584 H ARG 72 H ARG 72 11.408 -0.273 -6.337 585 HA ARG 72 HA ARG 72 12.127 1.829 -6.825 586 1HB ARG 72 2HB ARG 72 10.193 2.669 -5.802 587 2HB ARG 72 1HB ARG 72 10.741 2.224 -4.191 588 1HG ARG 72 2HG ARG 72 12.431 3.976 -4.268 589 2HG ARG 72 1HG ARG 72 11.909 4.415 -5.897 590 1HD ARG 72 2HD ARG 72 9.890 5.284 -5.151 591 2HD ARG 72 1HD ARG 72 9.946 4.378 -3.639 592 HE ARG 72 HE ARG 72 10.986 6.973 -4.093 593 1HH1 ARG 72 2HH1 ARG 72 11.650 4.003 -2.400 594 2HH1 ARG 72 1HH1 ARG 72 12.563 4.770 -1.145 595 1HH2 ARG 72 1HH2 ARG 72 12.190 7.995 -2.446 596 2HH2 ARG 72 2HH2 ARG 72 12.870 7.041 -1.170 597 H LEU 73 H LEU 73 13.780 3.397 -6.435 598 HA LEU 73 HA LEU 73 15.905 3.972 -5.856 599 1HB LEU 73 2HB LEU 73 14.637 4.556 -3.771 600 2HB LEU 73 1HB LEU 73 15.108 3.001 -3.114 601 HG LEU 73 HG LEU 73 16.463 5.134 -2.489 602 1HD1 LEU 73 1HD1 LEU 73 17.136 2.371 -2.787 603 2HD1 LEU 73 2HD1 LEU 73 17.694 3.530 -1.581 604 3HD1 LEU 73 3HD1 LEU 73 18.558 3.364 -3.109 605 1HD2 LEU 73 1HD2 LEU 73 18.073 4.441 -4.898 606 2HD2 LEU 73 2HD2 LEU 73 18.038 5.930 -3.952 607 3HD2 LEU 73 3HD2 LEU 73 16.719 5.559 -5.062 608 H ARG 74 H ARG 74 17.571 2.849 -6.588 609 HA ARG 74 HA ARG 74 18.562 0.568 -5.144 610 1HB ARG 74 2HB ARG 74 18.595 -0.551 -7.653 611 2HB ARG 74 1HB ARG 74 17.486 -0.981 -6.359 612 1HG ARG 74 2HG ARG 74 15.999 -0.616 -8.036 613 2HG ARG 74 1HG ARG 74 16.080 1.012 -7.367 614 1HD ARG 74 2HD ARG 74 16.943 1.836 -9.250 615 2HD ARG 74 1HD ARG 74 18.152 0.556 -9.336 616 HE ARG 74 HE ARG 74 15.962 -0.723 -10.172 617 1HH1 ARG 74 2HH1 ARG 74 17.291 2.373 -11.051 618 2HH1 ARG 74 1HH1 ARG 74 16.675 2.323 -12.669 619 1HH2 ARG 74 1HH2 ARG 74 15.148 -0.799 -12.302 620 2HH2 ARG 74 2HH2 ARG 74 15.458 0.520 -13.380 621 H GLY 75 H GLY 75 18.765 2.637 -7.998 622 1HA GLY 75 2HA GLY 75 20.719 3.903 -8.488 623 2HA GLY 75 1HA GLY 75 21.678 2.700 -7.638 624 H GLY 76 HN GLY 76 21.974 3.851 -10.347 625 1HA GLY 76 2HA GLY 76 22.532 3.148 -12.458 626 2HA GLY 76 1HA GLY 76 22.853 1.591 -11.710 Start of MODEL 15 1 2H MET 1 2H MET 1 -12.433 -2.999 3.358 2 3H MET 1 3H MET 1 -13.766 -3.812 2.708 3 1H MET 1 1H MET 1 -13.805 -2.129 2.885 4 HA MET 1 HA MET 1 -13.390 -3.053 0.576 5 1HB MET 1 2HB MET 1 -13.002 -0.683 1.388 6 2HB MET 1 1HB MET 1 -11.321 -1.131 1.642 7 1HG MET 1 2HG MET 1 -11.917 -1.936 -0.958 8 2HG MET 1 1HG MET 1 -12.659 -0.349 -0.771 9 1HE MET 1 1HE MET 1 -9.871 1.858 -1.652 10 2HE MET 1 2HE MET 1 -11.308 1.908 -0.632 11 3HE MET 1 3HE MET 1 -11.377 1.135 -2.215 12 H GLN 2 H GLN 2 -12.506 -4.900 -0.094 13 HA GLN 2 HA GLN 2 -9.826 -5.631 0.833 14 1HB GLN 2 2HB GLN 2 -12.111 -7.129 0.485 15 2HB GLN 2 1HB GLN 2 -11.182 -7.506 -0.960 16 1HG GLN 2 2HG GLN 2 -9.906 -8.894 0.187 17 2HG GLN 2 1HG GLN 2 -9.439 -7.595 1.284 18 1HE2 GLN 2 1HE2 GLN 2 -10.070 -10.497 1.674 19 2HE2 GLN 2 2HE2 GLN 2 -11.248 -10.520 2.939 20 H VAL 3 H VAL 3 -8.247 -4.795 -0.346 21 HA VAL 3 HA VAL 3 -8.568 -4.581 -3.257 22 HB VAL 3 HB VAL 3 -6.624 -3.090 -3.208 23 1HG1 VAL 3 1HG1 VAL 3 -8.656 -1.939 -3.047 24 2HG1 VAL 3 2HG1 VAL 3 -7.671 -1.274 -1.743 25 3HG1 VAL 3 3HG1 VAL 3 -8.923 -2.464 -1.384 26 1HG2 VAL 3 1HG2 VAL 3 -6.559 -2.738 -0.315 27 2HG2 VAL 3 2HG2 VAL 3 -5.234 -2.880 -1.470 28 3HG2 VAL 3 3HG2 VAL 3 -6.011 -4.331 -0.835 29 H PHE 4 H PHE 4 -6.367 -4.855 -4.449 30 HA PHE 4 HA PHE 4 -4.985 -7.229 -3.389 31 1HB PHE 4 2HB PHE 4 -5.602 -6.826 -6.314 32 2HB PHE 4 1HB PHE 4 -5.004 -8.282 -5.523 33 HD1 PHE 4 HD1 PHE 4 -6.482 -9.835 -4.518 34 HD2 PHE 4 HD2 PHE 4 -7.947 -6.097 -5.956 35 HE1 PHE 4 HE1 PHE 4 -8.796 -10.645 -4.257 36 HE2 PHE 4 HE2 PHE 4 -10.264 -6.900 -5.697 37 HZ PHE 4 HZ PHE 4 -10.689 -9.177 -4.845 38 H LEU 5 H LEU 5 -2.820 -7.200 -3.491 39 HA LEU 5 HA LEU 5 -1.559 -4.959 -4.930 40 1HB LEU 5 2HB LEU 5 -1.480 -5.250 -2.298 41 2HB LEU 5 1HB LEU 5 -0.175 -6.354 -2.689 42 HG LEU 5 HG LEU 5 0.533 -4.168 -4.155 43 1HD1 LEU 5 1HD1 LEU 5 0.339 -2.372 -2.231 44 2HD1 LEU 5 2HD1 LEU 5 -1.130 -3.274 -1.862 45 3HD1 LEU 5 3HD1 LEU 5 -0.917 -2.551 -3.457 46 1HD2 LEU 5 1HD2 LEU 5 1.882 -3.688 -1.890 47 2HD2 LEU 5 2HD2 LEU 5 2.260 -5.026 -2.975 48 3HD2 LEU 5 3HD2 LEU 5 1.282 -5.308 -1.535 49 H LYS 6 H LYS 6 0.020 -5.386 -6.372 50 HA LYS 6 HA LYS 6 0.706 -8.211 -6.789 51 1HB LYS 6 2HB LYS 6 0.933 -5.878 -8.700 52 2HB LYS 6 1HB LYS 6 1.291 -7.557 -9.080 53 1HG LYS 6 2HG LYS 6 -1.254 -7.753 -8.148 54 2HG LYS 6 1HG LYS 6 -1.278 -6.166 -8.923 55 1HD LYS 6 2HD LYS 6 -0.112 -8.539 -10.332 56 2HD LYS 6 1HD LYS 6 -1.854 -8.256 -10.332 57 1HE LYS 6 2HE LYS 6 -0.932 -5.795 -10.991 58 2HE LYS 6 1HE LYS 6 0.303 -6.818 -11.723 59 1HZ LYS 6 1HZ LYS 6 -2.447 -7.626 -12.187 60 2HZ LYS 6 2HZ LYS 6 -1.130 -7.606 -13.248 61 3HZ LYS 6 3HZ LYS 6 -1.977 -6.178 -12.927 62 H THR 7 H THR 7 2.803 -8.896 -6.932 63 HA THR 7 HA THR 7 4.816 -7.021 -5.921 64 HB THR 7 HB THR 7 6.068 -8.865 -5.155 65 HG1 THR 7 HG1 THR 7 5.053 -11.072 -5.812 66 1HG2 THR 7 1HG2 THR 7 4.680 -9.588 -3.529 67 2HG2 THR 7 2HG2 THR 7 3.483 -10.188 -4.676 68 3HG2 THR 7 3HG2 THR 7 3.532 -8.473 -4.269 69 H LEU 8 H LEU 8 7.142 -7.768 -6.719 70 HA LEU 8 HA LEU 8 7.272 -7.072 -9.463 71 1HB LEU 8 2HB LEU 8 9.517 -8.322 -7.903 72 2HB LEU 8 1HB LEU 8 9.623 -7.193 -9.240 73 HG LEU 8 HG LEU 8 8.285 -6.281 -6.738 74 1HD1 LEU 8 1HD1 LEU 8 10.819 -5.487 -6.274 75 2HD1 LEU 8 2HD1 LEU 8 11.108 -7.084 -6.965 76 3HD1 LEU 8 3HD1 LEU 8 10.083 -6.912 -5.539 77 1HD2 LEU 8 1HD2 LEU 8 10.032 -4.991 -8.829 78 2HD2 LEU 8 2HD2 LEU 8 9.394 -4.162 -7.408 79 3HD2 LEU 8 3HD2 LEU 8 8.290 -4.798 -8.629 80 H THR 9 H THR 9 6.570 -9.986 -7.999 81 HA THR 9 HA THR 9 7.604 -11.542 -10.274 82 HB THR 9 HB THR 9 7.628 -13.473 -8.945 83 HG1 THR 9 HG1 THR 9 5.829 -13.639 -7.797 84 1HG2 THR 9 1HG2 THR 9 9.322 -11.697 -8.311 85 2HG2 THR 9 2HG2 THR 9 9.016 -12.939 -7.095 86 3HG2 THR 9 3HG2 THR 9 8.293 -11.340 -6.922 87 H GLY 10 H GLY 10 4.751 -10.491 -8.624 88 1HA GLY 10 2HA GLY 10 2.798 -10.520 -10.251 89 2HA GLY 10 1HA GLY 10 3.103 -12.249 -10.329 90 H LYS 11 H LYS 11 3.384 -13.126 -7.900 91 HA LYS 11 HA LYS 11 1.329 -13.877 -6.665 92 1HB LYS 11 2HB LYS 11 3.549 -13.836 -5.570 93 2HB LYS 11 1HB LYS 11 3.243 -12.181 -5.060 94 1HG LYS 11 2HG LYS 11 1.247 -13.010 -3.816 95 2HG LYS 11 1HG LYS 11 1.757 -14.654 -4.208 96 1HD LYS 11 2HD LYS 11 3.847 -14.322 -3.031 97 2HD LYS 11 1HD LYS 11 3.430 -12.637 -2.713 98 1HE LYS 11 2HE LYS 11 3.049 -14.128 -0.771 99 2HE LYS 11 1HE LYS 11 1.591 -13.300 -1.315 100 1HZ LYS 11 1HZ LYS 11 1.614 -15.866 -0.807 101 2HZ LYS 11 2HZ LYS 11 2.141 -15.955 -2.412 102 3HZ LYS 11 3HZ LYS 11 0.660 -15.222 -2.048 103 H THR 12 H THR 12 -0.641 -13.294 -6.086 104 HA THR 12 HA THR 12 -1.250 -10.432 -5.860 105 HB THR 12 HB THR 12 -3.311 -12.616 -6.040 106 HG1 THR 12 HG1 THR 12 -3.158 -11.793 -8.412 107 1HG2 THR 12 1HG2 THR 12 -4.514 -10.727 -5.669 108 2HG2 THR 12 2HG2 THR 12 -4.288 -10.516 -7.406 109 3HG2 THR 12 3HG2 THR 12 -3.239 -9.669 -6.270 110 H VAL 13 H VAL 13 -1.620 -9.570 -3.933 111 HA VAL 13 HA VAL 13 -2.396 -11.356 -1.720 112 HB VAL 13 HB VAL 13 -1.330 -9.645 -0.215 113 1HG1 VAL 13 1HG1 VAL 13 0.622 -10.859 -2.156 114 2HG1 VAL 13 2HG1 VAL 13 -0.269 -11.807 -0.965 115 3HG1 VAL 13 3HG1 VAL 13 0.849 -10.550 -0.435 116 1HG2 VAL 13 1HG2 VAL 13 -0.026 -8.658 -2.744 117 2HG2 VAL 13 2HG2 VAL 13 0.188 -8.036 -1.108 118 3HG2 VAL 13 3HG2 VAL 13 -1.355 -7.828 -1.935 119 H THR 14 H THR 14 -4.118 -10.811 -0.481 120 HA THR 14 HA THR 14 -5.623 -8.424 -1.307 121 HB THR 14 HB THR 14 -7.429 -9.776 0.155 122 HG1 THR 14 HG1 THR 14 -6.129 -11.551 0.603 123 1HG2 THR 14 1HG2 THR 14 -8.481 -10.221 -1.835 124 2HG2 THR 14 2HG2 THR 14 -7.006 -10.789 -2.615 125 3HG2 THR 14 3HG2 THR 14 -7.274 -9.060 -2.385 126 H ILE 15 H ILE 15 -6.172 -6.867 0.124 127 HA ILE 15 HA ILE 15 -5.621 -7.316 2.972 128 HB ILE 15 HB ILE 15 -4.820 -4.764 1.586 129 1HG1 ILE 15 2HG1 ILE 15 -3.037 -7.088 2.351 130 2HG1 ILE 15 1HG1 ILE 15 -3.494 -6.665 0.704 131 1HG2 ILE 15 1HG2 ILE 15 -3.307 -5.035 3.844 132 2HG2 ILE 15 2HG2 ILE 15 -4.839 -5.756 4.337 133 3HG2 ILE 15 3HG2 ILE 15 -4.799 -4.103 3.725 134 1HD1 ILE 15 1HD1 ILE 15 -1.299 -5.743 2.179 135 2HD1 ILE 15 2HD1 ILE 15 -2.395 -4.372 2.000 136 3HD1 ILE 15 3HD1 ILE 15 -1.821 -5.234 0.572 137 H GLU 16 H GLU 16 -6.815 -5.998 4.406 138 HA GLU 16 HA GLU 16 -9.262 -4.925 3.203 139 1HB GLU 16 2HB GLU 16 -8.714 -5.549 6.109 140 2HB GLU 16 1HB GLU 16 -10.272 -5.166 5.389 141 1HG GLU 16 2HG GLU 16 -9.877 -7.248 3.935 142 2HG GLU 16 1HG GLU 16 -8.641 -7.659 5.124 143 H VAL 17 H VAL 17 -9.680 -2.821 3.171 144 HA VAL 17 HA VAL 17 -8.384 -1.052 5.100 145 HB VAL 17 HB VAL 17 -7.452 0.418 3.559 146 1HG1 VAL 17 1HG1 VAL 17 -6.933 -1.976 1.894 147 2HG1 VAL 17 2HG1 VAL 17 -6.542 -2.083 3.611 148 3HG1 VAL 17 3HG1 VAL 17 -5.806 -0.828 2.616 149 1HG2 VAL 17 1HG2 VAL 17 -9.528 -0.604 1.774 150 2HG2 VAL 17 2HG2 VAL 17 -7.983 -0.314 0.975 151 3HG2 VAL 17 3HG2 VAL 17 -8.782 0.992 1.851 152 H GLU 18 H GLU 18 -9.300 1.263 4.813 153 HA GLU 18 HA GLU 18 -12.114 1.146 3.975 154 1HB GLU 18 2HB GLU 18 -11.027 2.010 6.642 155 2HB GLU 18 1HB GLU 18 -12.574 2.599 6.051 156 1HG GLU 18 2HG GLU 18 -11.809 -0.257 6.598 157 2HG GLU 18 1HG GLU 18 -12.949 0.737 7.504 158 HA PRO 19 HA PRO 19 -11.210 4.831 1.700 159 1HB PRO 19 2HB PRO 19 -13.984 5.539 2.552 160 2HB PRO 19 1HB PRO 19 -13.259 5.577 0.940 161 1HG PRO 19 2HG PRO 19 -14.924 3.617 1.639 162 2HG PRO 19 1HG PRO 19 -13.499 3.290 0.635 163 1HD PRO 19 2HD PRO 19 -13.970 2.687 3.514 164 2HD PRO 19 1HD PRO 19 -13.021 1.792 2.311 165 H SER 20 H SER 20 -9.711 5.632 3.254 166 HA SER 20 HA SER 20 -9.893 8.113 4.159 167 1HB SER 20 2HB SER 20 -10.486 7.759 6.682 168 2HB SER 20 1HB SER 20 -11.784 7.940 5.503 169 HG SER 20 HG SER 20 -10.888 5.356 5.911 170 H ASP 21 H ASP 21 -8.537 5.054 4.387 171 HA ASP 21 HA ASP 21 -6.687 5.521 6.511 172 1HB ASP 21 2HB ASP 21 -6.780 3.480 4.283 173 2HB ASP 21 1HB ASP 21 -5.530 3.500 5.521 174 H THR 22 H THR 22 -4.347 5.692 6.220 175 HA THR 22 HA THR 22 -3.713 7.402 3.919 176 HB THR 22 HB THR 22 -2.013 8.424 5.197 177 HG1 THR 22 HG1 THR 22 -1.878 7.330 7.516 178 1HG2 THR 22 1HG2 THR 22 -3.987 7.935 7.387 179 2HG2 THR 22 2HG2 THR 22 -4.513 8.744 5.911 180 3HG2 THR 22 3HG2 THR 22 -3.218 9.440 6.884 181 H VAL 23 H VAL 23 -1.881 7.083 2.677 182 HA VAL 23 HA VAL 23 -1.160 4.570 1.921 183 HB VAL 23 HB VAL 23 0.667 6.978 1.922 184 1HG1 VAL 23 1HG1 VAL 23 0.771 4.618 0.063 185 2HG1 VAL 23 2HG1 VAL 23 1.722 4.704 1.545 186 3HG1 VAL 23 3HG1 VAL 23 1.963 5.901 0.272 187 1HG2 VAL 23 1HG2 VAL 23 -1.737 6.867 0.736 188 2HG2 VAL 23 2HG2 VAL 23 -0.754 6.120 -0.521 189 3HG2 VAL 23 3HG2 VAL 23 -0.363 7.739 0.057 190 H GLU 24 H GLU 24 0.305 6.513 4.482 191 HA GLU 24 HA GLU 24 2.533 5.055 5.112 192 1HB GLU 24 2HB GLU 24 2.211 7.009 6.358 193 2HB GLU 24 1HB GLU 24 0.577 6.558 6.824 194 1HG GLU 24 2HG GLU 24 1.476 4.815 8.284 195 2HG GLU 24 1HG GLU 24 3.113 5.282 7.823 196 H ASN 25 H ASN 25 -0.661 4.555 6.642 197 HA ASN 25 HA ASN 25 0.001 2.207 7.990 198 1HB ASN 25 2HB ASN 25 -2.468 1.764 8.003 199 2HB ASN 25 1HB ASN 25 -2.023 3.376 8.555 200 1HD2 ASN 25 1HD2 ASN 25 -2.911 1.654 5.586 201 2HD2 ASN 25 2HD2 ASN 25 -3.871 2.930 4.930 202 H PHE 26 H PHE 26 -1.006 2.746 4.678 203 HA PHE 26 HA PHE 26 -1.635 0.111 3.963 204 1HB PHE 26 2HB PHE 26 -2.047 2.188 2.587 205 2HB PHE 26 1HB PHE 26 -0.339 2.163 2.159 206 HD1 PHE 26 HD1 PHE 26 -1.511 -1.134 2.540 207 HD2 PHE 26 HD2 PHE 26 -1.528 2.156 -0.174 208 HE1 PHE 26 HE1 PHE 26 -2.003 -2.676 0.680 209 HE2 PHE 26 HE2 PHE 26 -2.022 0.620 -2.038 210 HZ PHE 26 HZ PHE 26 -2.260 -1.799 -1.611 211 H LYS 27 H LYS 27 1.445 1.866 3.836 212 HA LYS 27 HA LYS 27 2.947 -0.287 2.762 213 1HB LYS 27 2HB LYS 27 4.037 1.965 4.450 214 2HB LYS 27 1HB LYS 27 4.878 1.040 3.215 215 1HG LYS 27 2HG LYS 27 3.268 2.011 1.544 216 2HG LYS 27 1HG LYS 27 2.714 3.087 2.828 217 1HD LYS 27 2HD LYS 27 4.318 4.445 1.991 218 2HD LYS 27 1HD LYS 27 5.368 3.472 3.022 219 1HE LYS 27 2HE LYS 27 6.548 3.103 1.157 220 2HE LYS 27 1HE LYS 27 5.258 1.976 0.737 221 1HZ LYS 27 1HZ LYS 27 6.032 4.258 -0.640 222 2HZ LYS 27 2HZ LYS 27 4.502 4.587 0.001 223 3HZ LYS 27 3HZ LYS 27 4.731 3.233 -0.987 224 H ALA 28 H ALA 28 2.055 0.666 6.001 225 HA ALA 28 HA ALA 28 3.931 -0.950 7.387 226 1HB ALA 28 1HB ALA 28 2.066 -0.696 9.234 227 2HB ALA 28 2HB ALA 28 1.447 0.518 8.113 228 3HB ALA 28 3HB ALA 28 3.080 0.667 8.763 229 H LYS 29 H LYS 29 0.593 -1.466 6.329 230 HA LYS 29 HA LYS 29 0.259 -3.988 7.562 231 1HB LYS 29 2HB LYS 29 -1.123 -2.781 5.160 232 2HB LYS 29 1HB LYS 29 -1.643 -4.250 5.974 233 1HG LYS 29 2HG LYS 29 -2.282 -3.095 7.902 234 2HG LYS 29 1HG LYS 29 -1.367 -1.656 7.449 235 1HD LYS 29 2HD LYS 29 -3.189 -0.816 6.500 236 2HD LYS 29 1HD LYS 29 -3.205 -2.168 5.365 237 1HE LYS 29 2HE LYS 29 -5.208 -2.617 6.273 238 2HE LYS 29 1HE LYS 29 -4.260 -3.330 7.576 239 1HZ LYS 29 1HZ LYS 29 -5.459 -1.934 8.834 240 2HZ LYS 29 2HZ LYS 29 -5.829 -0.897 7.551 241 3HZ LYS 29 3HZ LYS 29 -4.335 -0.774 8.333 242 H ILE 30 H ILE 30 1.261 -3.030 4.299 243 HA ILE 30 HA ILE 30 1.451 -5.614 3.212 244 HB ILE 30 HB ILE 30 3.015 -3.135 2.480 245 1HG1 ILE 30 2HG1 ILE 30 0.534 -4.307 1.204 246 2HG1 ILE 30 1HG1 ILE 30 0.520 -2.960 2.338 247 1HG2 ILE 30 1HG2 ILE 30 2.702 -5.790 1.107 248 2HG2 ILE 30 2HG2 ILE 30 4.189 -4.956 1.558 249 3HG2 ILE 30 3HG2 ILE 30 3.188 -4.328 0.247 250 1HD1 ILE 30 1HD1 ILE 30 2.350 -2.537 0.127 251 2HD1 ILE 30 2HD1 ILE 30 1.070 -1.501 0.760 252 3HD1 ILE 30 3HD1 ILE 30 0.682 -2.778 -0.392 253 H GLN 31 H GLN 31 3.738 -3.660 5.044 254 HA GLN 31 HA GLN 31 6.042 -5.196 4.632 255 1HB GLN 31 2HB GLN 31 6.173 -3.001 5.641 256 2HB GLN 31 1HB GLN 31 5.206 -3.529 7.010 257 1HG GLN 31 2HG GLN 31 7.388 -5.284 6.874 258 2HG GLN 31 1HG GLN 31 8.037 -3.664 6.626 259 1HE2 GLN 31 1HE2 GLN 31 8.980 -3.270 8.532 260 2HE2 GLN 31 2HE2 GLN 31 8.166 -3.268 10.055 261 H ASP 32 H ASP 32 3.472 -5.476 7.043 262 HA ASP 32 HA ASP 32 4.688 -7.624 8.466 263 1HB ASP 32 2HB ASP 32 2.791 -5.963 9.191 264 2HB ASP 32 1HB ASP 32 1.726 -7.166 8.472 265 H LYS 33 H LYS 33 3.103 -7.443 5.485 266 HA LYS 33 HA LYS 33 2.352 -10.282 5.558 267 1HB LYS 33 2HB LYS 33 1.433 -7.932 3.980 268 2HB LYS 33 1HB LYS 33 1.385 -9.505 3.197 269 1HG LYS 33 2HG LYS 33 0.274 -9.810 5.778 270 2HG LYS 33 1HG LYS 33 -0.448 -8.376 5.049 271 1HD LYS 33 2HD LYS 33 -0.614 -10.000 2.952 272 2HD LYS 33 1HD LYS 33 -0.615 -11.224 4.223 273 1HE LYS 33 2HE LYS 33 -2.590 -10.421 5.163 274 2HE LYS 33 1HE LYS 33 -2.436 -8.850 4.377 275 1HZ LYS 33 1HZ LYS 33 -2.861 -9.953 2.244 276 2HZ LYS 33 2HZ LYS 33 -4.152 -10.141 3.320 277 3HZ LYS 33 3HZ LYS 33 -3.087 -11.426 3.047 278 H GLU 34 H GLU 34 4.242 -7.924 3.722 279 HA GLU 34 HA GLU 34 5.411 -10.096 2.140 280 1HB GLU 34 2HB GLU 34 5.639 -7.100 1.808 281 2HB GLU 34 1HB GLU 34 6.341 -8.299 0.730 282 1HG GLU 34 2HG GLU 34 4.049 -9.136 0.267 283 2HG GLU 34 1HG GLU 34 3.418 -7.798 1.227 284 H GLY 35 H GLY 35 6.067 -8.138 4.831 285 1HA GLY 35 2HA GLY 35 7.898 -8.081 6.228 286 2HA GLY 35 1HA GLY 35 8.617 -9.343 5.239 287 H ILE 36 H ILE 36 7.611 -6.515 3.587 288 HA ILE 36 HA ILE 36 10.419 -5.767 3.196 289 HB ILE 36 HB ILE 36 7.952 -5.054 1.607 290 1HG1 ILE 36 2HG1 ILE 36 10.359 -6.725 0.853 291 2HG1 ILE 36 1HG1 ILE 36 8.814 -7.387 1.380 292 1HG2 ILE 36 1HG2 ILE 36 10.436 -4.460 0.291 293 2HG2 ILE 36 2HG2 ILE 36 10.335 -3.604 1.830 294 3HG2 ILE 36 3HG2 ILE 36 9.065 -3.403 0.624 295 1HD1 ILE 36 1HD1 ILE 36 9.389 -5.831 -1.121 296 2HD1 ILE 36 2HD1 ILE 36 7.759 -6.199 -0.557 297 3HD1 ILE 36 3HD1 ILE 36 8.864 -7.508 -0.978 298 HA PRO 37 HA PRO 37 9.887 -2.214 5.795 299 1HB PRO 37 2HB PRO 37 12.043 -0.799 4.883 300 2HB PRO 37 1HB PRO 37 12.163 -2.137 6.028 301 1HG PRO 37 2HG PRO 37 12.617 -2.126 3.069 302 2HG PRO 37 1HG PRO 37 13.553 -2.931 4.343 303 1HD PRO 37 2HD PRO 37 11.787 -4.267 2.808 304 2HD PRO 37 1HD PRO 37 12.050 -4.681 4.514 305 HA PRO 38 HA PRO 38 7.346 0.371 3.194 306 1HB PRO 38 2HB PRO 38 7.899 2.274 5.427 307 2HB PRO 38 1HB PRO 38 6.359 1.834 4.680 308 1HG PRO 38 2HG PRO 38 7.042 0.851 7.058 309 2HG PRO 38 1HG PRO 38 6.206 -0.158 5.862 310 1HD PRO 38 2HD PRO 38 9.071 -0.172 6.687 311 2HD PRO 38 1HD PRO 38 8.034 -1.521 6.183 312 H ASP 39 H ASP 39 10.329 1.534 4.704 313 HA ASP 39 HA ASP 39 10.714 3.874 3.274 314 1HB ASP 39 2HB ASP 39 13.216 3.319 3.608 315 2HB ASP 39 1HB ASP 39 12.209 3.512 5.039 316 H GLN 40 H GLN 40 10.868 0.618 2.188 317 HA GLN 40 HA GLN 40 11.982 1.534 -0.383 318 1HB GLN 40 2HB GLN 40 12.238 -1.188 0.906 319 2HB GLN 40 1HB GLN 40 12.799 -0.785 -0.711 320 1HG GLN 40 2HG GLN 40 14.414 0.746 0.159 321 2HG GLN 40 1HG GLN 40 13.767 0.575 1.789 322 1HE2 GLN 40 1HE2 GLN 40 14.679 -1.726 -0.756 323 2HE2 GLN 40 2HE2 GLN 40 15.746 -2.658 0.233 324 H GLN 41 H GLN 41 9.167 1.348 0.660 325 HA GLN 41 HA GLN 41 8.066 -0.617 -1.225 326 1HB GLN 41 2HB GLN 41 7.026 0.673 1.264 327 2HB GLN 41 1HB GLN 41 5.882 0.110 0.054 328 1HG GLN 41 2HG GLN 41 7.109 -2.121 0.181 329 2HG GLN 41 1HG GLN 41 7.850 -1.488 1.649 330 1HE2 GLN 41 1HE2 GLN 41 6.908 -2.378 3.334 331 2HE2 GLN 41 2HE2 GLN 41 5.209 -2.594 3.556 332 H ARG 42 H ARG 42 7.584 0.159 -3.162 333 HA ARG 42 HA ARG 42 6.686 2.951 -3.390 334 1HB ARG 42 2HB ARG 42 8.715 1.685 -4.730 335 2HB ARG 42 1HB ARG 42 7.383 1.538 -5.868 336 1HG ARG 42 2HG ARG 42 7.076 3.932 -5.880 337 2HG ARG 42 1HG ARG 42 8.324 4.124 -4.647 338 1HD ARG 42 2HD ARG 42 10.022 3.777 -6.113 339 2HD ARG 42 1HD ARG 42 9.083 2.657 -7.101 340 HE ARG 42 HE ARG 42 8.407 4.419 -8.398 341 1HH1 ARG 42 2HH1 ARG 42 9.786 5.635 -5.442 342 2HH1 ARG 42 1HH1 ARG 42 9.779 7.287 -5.964 343 1HH2 ARG 42 1HH2 ARG 42 8.395 6.590 -9.098 344 2HH2 ARG 42 2HH2 ARG 42 8.987 7.830 -8.045 345 H LEU 43 H LEU 43 4.544 3.110 -3.477 346 HA LEU 43 HA LEU 43 3.026 1.010 -4.863 347 1HB LEU 43 2HB LEU 43 2.003 3.087 -2.928 348 2HB LEU 43 1HB LEU 43 1.099 1.737 -3.589 349 HG LEU 43 HG LEU 43 3.442 1.544 -1.696 350 1HD1 LEU 43 1HD1 LEU 43 0.564 1.750 -1.327 351 2HD1 LEU 43 2HD1 LEU 43 1.874 1.932 -0.160 352 3HD1 LEU 43 3HD1 LEU 43 1.260 0.327 -0.553 353 1HD2 LEU 43 1HD2 LEU 43 1.695 -0.748 -2.478 354 2HD2 LEU 43 2HD2 LEU 43 3.333 -0.755 -1.825 355 3HD2 LEU 43 3HD2 LEU 43 3.054 -0.290 -3.504 356 H ILE 44 H ILE 44 2.101 1.451 -6.746 357 HA ILE 44 HA ILE 44 1.632 4.273 -7.460 358 HB ILE 44 HB ILE 44 2.471 2.087 -9.365 359 1HG1 ILE 44 2HG1 ILE 44 4.001 4.131 -7.825 360 2HG1 ILE 44 1HG1 ILE 44 4.462 2.497 -8.286 361 1HG2 ILE 44 1HG2 ILE 44 0.997 3.902 -10.259 362 2HG2 ILE 44 2HG2 ILE 44 2.576 3.784 -11.035 363 3HG2 ILE 44 3HG2 ILE 44 2.269 5.052 -9.849 364 1HD1 ILE 44 1HD1 ILE 44 5.016 3.178 -10.481 365 2HD1 ILE 44 2HD1 ILE 44 5.756 4.337 -9.376 366 3HD1 ILE 44 3HD1 ILE 44 4.280 4.763 -10.244 367 H PHE 45 H PHE 45 -0.398 4.749 -7.996 368 HA PHE 45 HA PHE 45 -2.180 2.552 -8.822 369 1HB PHE 45 2HB PHE 45 -2.642 3.365 -6.513 370 2HB PHE 45 1HB PHE 45 -2.954 4.967 -7.174 371 HD1 PHE 45 HD1 PHE 45 -4.065 1.426 -7.538 372 HD2 PHE 45 HD2 PHE 45 -5.113 5.556 -7.730 373 HE1 PHE 45 HE1 PHE 45 -6.422 0.808 -7.913 374 HE2 PHE 45 HE2 PHE 45 -7.471 4.945 -8.103 375 HZ PHE 45 HZ PHE 45 -8.127 2.568 -8.195 376 H ALA 46 H ALA 46 -3.187 2.818 -10.707 377 HA ALA 46 HA ALA 46 -3.546 3.747 -12.784 378 1HB ALA 46 1HB ALA 46 -5.110 5.092 -10.732 379 2HB ALA 46 2HB ALA 46 -5.608 4.445 -12.294 380 3HB ALA 46 3HB ALA 46 -4.913 6.061 -12.192 381 H GLY 47 H GLY 47 -0.977 4.288 -12.260 382 1HA GLY 47 2HA GLY 47 0.740 5.669 -12.906 383 2HA GLY 47 1HA GLY 47 -0.460 6.591 -13.799 384 H LYS 48 H LYS 48 -0.173 6.022 -10.306 385 HA LYS 48 HA LYS 48 0.581 8.804 -9.885 386 1HB LYS 48 2HB LYS 48 -2.035 7.603 -9.056 387 2HB LYS 48 1HB LYS 48 -1.292 8.839 -8.053 388 1HG LYS 48 2HG LYS 48 -1.311 10.398 -9.906 389 2HG LYS 48 1HG LYS 48 -1.974 9.154 -10.969 390 1HD LYS 48 2HD LYS 48 -3.978 9.030 -9.564 391 2HD LYS 48 1HD LYS 48 -3.313 10.278 -8.508 392 1HE LYS 48 2HE LYS 48 -3.128 11.502 -10.912 393 2HE LYS 48 1HE LYS 48 -4.558 10.503 -11.168 394 1HZ LYS 48 1HZ LYS 48 -4.949 11.594 -8.704 395 2HZ LYS 48 2HZ LYS 48 -5.660 12.123 -10.144 396 3HZ LYS 48 3HZ LYS 48 -4.248 12.862 -9.578 397 H GLN 49 H GLN 49 2.236 8.750 -8.525 398 HA GLN 49 HA GLN 49 2.858 6.477 -6.937 399 1HB GLN 49 2HB GLN 49 4.356 8.446 -7.938 400 2HB GLN 49 1HB GLN 49 4.101 9.113 -6.331 401 1HG GLN 49 2HG GLN 49 4.825 6.353 -6.122 402 2HG GLN 49 1HG GLN 49 5.991 7.203 -7.133 403 1HE2 GLN 49 1HE2 GLN 49 6.091 6.079 -4.353 404 2HE2 GLN 49 2HE2 GLN 49 6.681 7.379 -3.380 405 H LEU 50 H LEU 50 2.220 5.969 -4.946 406 HA LEU 50 HA LEU 50 0.413 7.683 -3.522 407 1HB LEU 50 2HB LEU 50 1.536 4.946 -3.087 408 2HB LEU 50 1HB LEU 50 0.740 5.769 -1.759 409 HG LEU 50 HG LEU 50 -1.279 6.021 -3.246 410 1HD1 LEU 50 1HD1 LEU 50 0.562 4.857 -5.136 411 2HD1 LEU 50 2HD1 LEU 50 -1.015 5.596 -5.409 412 3HD1 LEU 50 3HD1 LEU 50 -0.904 3.886 -4.989 413 1HD2 LEU 50 1HD2 LEU 50 -0.346 3.807 -1.763 414 2HD2 LEU 50 2HD2 LEU 50 -1.166 3.176 -3.191 415 3HD2 LEU 50 3HD2 LEU 50 -2.014 4.273 -2.100 416 H GLU 51 H GLU 51 0.927 9.181 -2.076 417 HA GLU 51 HA GLU 51 3.648 9.191 -0.974 418 1HB GLU 51 2HB GLU 51 1.699 11.475 -0.800 419 2HB GLU 51 1HB GLU 51 3.454 11.521 -0.702 420 1HG GLU 51 2HG GLU 51 2.054 10.675 -3.211 421 2HG GLU 51 1HG GLU 51 2.331 12.376 -2.835 422 H ASP 52 H ASP 52 4.034 9.017 1.165 423 HA ASP 52 HA ASP 52 2.026 8.008 2.878 424 1HB ASP 52 2HB ASP 52 4.739 9.129 3.611 425 2HB ASP 52 1HB ASP 52 3.730 8.110 4.633 426 H GLY 53 H GLY 53 0.697 10.064 2.180 427 1HA GLY 53 2HA GLY 53 0.532 11.699 4.562 428 2HA GLY 53 1HA GLY 53 0.948 12.579 3.101 429 H ARG 54 H ARG 54 -0.763 10.708 1.468 430 HA ARG 54 HA ARG 54 -3.297 12.046 2.062 431 1HB ARG 54 2HB ARG 54 -2.907 10.471 -0.433 432 2HB ARG 54 1HB ARG 54 -3.784 11.974 -0.179 433 1HG ARG 54 2HG ARG 54 -1.238 12.772 0.301 434 2HG ARG 54 1HG ARG 54 -0.984 11.522 -0.918 435 1HD ARG 54 2HD ARG 54 -1.264 13.501 -2.142 436 2HD ARG 54 1HD ARG 54 -2.820 12.678 -2.252 437 HE ARG 54 HE ARG 54 -2.934 14.395 -0.064 438 1HH1 ARG 54 2HH1 ARG 54 -2.591 14.597 -3.524 439 2HH1 ARG 54 1HH1 ARG 54 -3.359 16.144 -3.640 440 1HH2 ARG 54 1HH2 ARG 54 -3.947 16.433 -0.205 441 2HH2 ARG 54 2HH2 ARG 54 -4.129 17.189 -1.752 442 H THR 55 H THR 55 -5.216 10.584 1.106 443 HA THR 55 HA THR 55 -4.947 7.920 2.339 444 HB THR 55 HB THR 55 -7.196 8.058 3.194 445 HG1 THR 55 HG1 THR 55 -8.577 9.534 2.520 446 1HG2 THR 55 1HG2 THR 55 -6.261 10.733 4.033 447 2HG2 THR 55 2HG2 THR 55 -5.113 9.410 4.238 448 3HG2 THR 55 3HG2 THR 55 -6.699 9.328 5.005 449 H LEU 56 H LEU 56 -6.236 6.244 1.454 450 HA LEU 56 HA LEU 56 -6.278 5.953 -1.241 451 1HB LEU 56 2HB LEU 56 -8.355 4.827 0.641 452 2HB LEU 56 1HB LEU 56 -7.968 4.206 -0.953 453 HG LEU 56 HG LEU 56 -5.935 4.320 1.265 454 1HD1 LEU 56 1HD1 LEU 56 -8.084 2.337 0.728 455 2HD1 LEU 56 2HD1 LEU 56 -7.397 2.875 2.261 456 3HD1 LEU 56 3HD1 LEU 56 -6.502 1.749 1.240 457 1HD2 LEU 56 1HD2 LEU 56 -5.749 2.231 -0.747 458 2HD2 LEU 56 2HD2 LEU 56 -4.530 3.375 -0.184 459 3HD2 LEU 56 3HD2 LEU 56 -5.677 3.852 -1.435 460 H SER 57 H SER 57 -8.722 7.525 0.734 461 HA SER 57 HA SER 57 -10.721 7.779 -1.225 462 1HB SER 57 2HB SER 57 -11.747 9.366 0.225 463 2HB SER 57 1HB SER 57 -10.937 8.206 1.279 464 HG SER 57 HG SER 57 -10.495 10.325 1.942 465 H ASP 58 H ASP 58 -7.839 9.645 -0.544 466 HA ASP 58 HA ASP 58 -8.455 11.925 -2.078 467 1HB ASP 58 2HB ASP 58 -5.867 10.681 -1.174 468 2HB ASP 58 1HB ASP 58 -5.881 12.113 -2.199 469 H TYR 59 H TYR 59 -7.328 8.750 -2.924 470 HA TYR 59 HA TYR 59 -6.798 9.587 -5.682 471 1HB TYR 59 2HB TYR 59 -6.326 6.913 -4.346 472 2HB TYR 59 1HB TYR 59 -5.838 7.347 -5.980 473 HD1 TYR 59 HD1 TYR 59 -4.001 8.957 -6.344 474 HD2 TYR 59 HD2 TYR 59 -5.065 7.635 -2.432 475 HE1 TYR 59 HE1 TYR 59 -1.846 9.786 -5.484 476 HE2 TYR 59 HE2 TYR 59 -2.914 8.461 -1.562 477 HH TYR 59 HH TYR 59 -1.203 10.333 -2.349 478 H ASN 60 H ASN 60 -9.474 9.146 -4.210 479 HA ASN 60 HA ASN 60 -11.519 8.187 -4.592 480 1HB ASN 60 2HB ASN 60 -10.464 9.300 -7.062 481 2HB ASN 60 1HB ASN 60 -11.629 8.017 -7.370 482 1HD2 ASN 60 1HD2 ASN 60 -11.703 10.052 -4.539 483 2HD2 ASN 60 2HD2 ASN 60 -13.147 10.905 -4.950 484 H ILE 61 H ILE 61 -9.725 6.214 -3.963 485 HA ILE 61 HA ILE 61 -9.808 4.113 -5.936 486 HB ILE 61 HB ILE 61 -8.917 4.110 -3.053 487 1HG1 ILE 61 2HG1 ILE 61 -7.142 3.678 -5.424 488 2HG1 ILE 61 1HG1 ILE 61 -7.644 5.317 -5.020 489 1HG2 ILE 61 1HG2 ILE 61 -9.759 1.901 -3.733 490 2HG2 ILE 61 2HG2 ILE 61 -8.018 1.895 -3.448 491 3HG2 ILE 61 3HG2 ILE 61 -8.642 1.911 -5.098 492 1HD1 ILE 61 1HD1 ILE 61 -5.965 3.423 -3.432 493 2HD1 ILE 61 2HD1 ILE 61 -6.789 4.781 -2.666 494 3HD1 ILE 61 3HD1 ILE 61 -5.609 5.073 -3.944 495 H GLN 62 H GLN 62 -11.195 2.433 -6.063 496 HA GLN 62 HA GLN 62 -13.372 2.351 -4.081 497 1HB GLN 62 2HB GLN 62 -13.476 1.396 -6.945 498 2HB GLN 62 1HB GLN 62 -14.823 1.518 -5.822 499 1HG GLN 62 2HG GLN 62 -14.101 4.049 -5.762 500 2HG GLN 62 1HG GLN 62 -13.412 3.647 -7.334 501 1HE2 GLN 62 1HE2 GLN 62 -15.828 5.232 -6.275 502 2HE2 GLN 62 2HE2 GLN 62 -17.118 4.714 -7.301 503 H LYS 63 H LYS 63 -14.461 0.138 -4.000 504 HA LYS 63 HA LYS 63 -12.643 -1.747 -3.022 505 1HB LYS 63 2HB LYS 63 -14.619 -3.327 -3.121 506 2HB LYS 63 1HB LYS 63 -14.872 -1.839 -2.219 507 1HG LYS 63 2HG LYS 63 -15.622 -1.412 -4.938 508 2HG LYS 63 1HG LYS 63 -16.406 -2.876 -4.341 509 1HD LYS 63 2HD LYS 63 -17.558 -1.746 -2.686 510 2HD LYS 63 1HD LYS 63 -16.411 -0.405 -2.662 511 1HE LYS 63 2HE LYS 63 -18.337 0.462 -3.685 512 2HE LYS 63 1HE LYS 63 -17.228 0.124 -5.014 513 1HZ LYS 63 1HZ LYS 63 -18.639 -2.189 -4.719 514 2HZ LYS 63 2HZ LYS 63 -18.904 -1.010 -5.902 515 3HZ LYS 63 3HZ LYS 63 -19.806 -0.988 -4.472 516 H GLU 64 H GLU 64 -12.127 -3.870 -3.803 517 HA GLU 64 HA GLU 64 -11.453 -5.394 -5.354 518 1HB GLU 64 2HB GLU 64 -13.328 -3.968 -7.248 519 2HB GLU 64 1HB GLU 64 -12.644 -5.574 -7.465 520 1HG GLU 64 2HG GLU 64 -13.833 -6.227 -5.335 521 2HG GLU 64 1HG GLU 64 -14.685 -4.688 -5.452 522 H SER 65 H SER 65 -10.462 -2.467 -5.156 523 HA SER 65 HA SER 65 -9.279 -2.020 -7.753 524 1HB SER 65 2HB SER 65 -9.223 -0.592 -5.117 525 2HB SER 65 1HB SER 65 -8.012 -0.206 -6.339 526 HG SER 65 HG SER 65 -10.697 0.382 -6.268 527 H THR 66 H THR 66 -7.110 -2.211 -8.294 528 HA THR 66 HA THR 66 -5.496 -3.830 -6.432 529 HB THR 66 HB THR 66 -5.151 -3.799 -9.428 530 HG1 THR 66 HG1 THR 66 -6.339 -6.025 -8.332 531 1HG2 THR 66 1HG2 THR 66 -3.242 -4.623 -8.183 532 2HG2 THR 66 2HG2 THR 66 -4.047 -5.973 -8.985 533 3HG2 THR 66 3HG2 THR 66 -4.279 -5.708 -7.256 534 H ILE 67 H ILE 67 -3.246 -3.440 -6.341 535 HA ILE 67 HA ILE 67 -2.317 -0.938 -7.565 536 HB ILE 67 HB ILE 67 -2.075 -1.665 -4.647 537 1HG1 ILE 67 2HG1 ILE 67 -2.901 0.969 -4.901 538 2HG1 ILE 67 1HG1 ILE 67 -3.752 0.148 -6.207 539 1HG2 ILE 67 1HG2 ILE 67 -0.913 0.757 -4.808 540 2HG2 ILE 67 2HG2 ILE 67 -0.414 0.070 -6.354 541 3HG2 ILE 67 3HG2 ILE 67 -0.018 -0.761 -4.851 542 1HD1 ILE 67 1HD1 ILE 67 -5.048 -1.052 -4.793 543 2HD1 ILE 67 2HD1 ILE 67 -4.742 0.344 -3.760 544 3HD1 ILE 67 3HD1 ILE 67 -3.805 -1.135 -3.544 545 H HIS 68 H HIS 68 -0.127 -0.848 -8.032 546 HA HIS 68 HA HIS 68 1.245 -3.436 -7.942 547 1HB HIS 68 2HB HIS 68 2.011 -0.989 -9.540 548 2HB HIS 68 1HB HIS 68 2.620 -2.628 -9.743 549 HD1 HIS 68 HD1 HIS 68 1.828 -2.945 -12.132 550 HD2 HIS 68 HD2 HIS 68 -1.225 -1.860 -9.529 551 HE1 HIS 68 HE1 HIS 68 -0.304 -3.252 -13.431 552 HE2 HIS 68 HE2 HIS 68 -2.129 -2.497 -11.867 553 H LEU 69 H LEU 69 3.155 -3.740 -6.922 554 HA LEU 69 HA LEU 69 4.197 -1.467 -5.369 555 1HB LEU 69 2HB LEU 69 3.393 -3.158 -3.901 556 2HB LEU 69 1HB LEU 69 4.184 -4.426 -4.817 557 HG LEU 69 HG LEU 69 6.390 -3.343 -4.133 558 1HD1 LEU 69 1HD1 LEU 69 5.270 -1.204 -3.418 559 2HD1 LEU 69 2HD1 LEU 69 6.425 -1.884 -2.272 560 3HD1 LEU 69 3HD1 LEU 69 4.693 -2.077 -1.998 561 1HD2 LEU 69 1HD2 LEU 69 5.398 -5.433 -3.173 562 2HD2 LEU 69 2HD2 LEU 69 4.711 -4.441 -1.888 563 3HD2 LEU 69 3HD2 LEU 69 6.460 -4.548 -2.078 564 H VAL 70 H VAL 70 6.334 -0.947 -5.465 565 HA VAL 70 HA VAL 70 8.082 -2.639 -7.116 566 HB VAL 70 HB VAL 70 8.766 0.145 -7.440 567 1HG1 VAL 70 1HG1 VAL 70 9.521 -0.726 -9.335 568 2HG1 VAL 70 2HG1 VAL 70 7.880 -1.122 -9.844 569 3HG1 VAL 70 3HG1 VAL 70 8.807 -2.273 -8.882 570 1HG2 VAL 70 1HG2 VAL 70 6.899 0.969 -8.655 571 2HG2 VAL 70 2HG2 VAL 70 6.284 0.387 -7.107 572 3HG2 VAL 70 3HG2 VAL 70 6.070 -0.585 -8.563 573 H LEU 71 H LEU 71 10.309 -2.501 -6.654 574 HA LEU 71 HA LEU 71 10.866 -1.747 -3.907 575 1HB LEU 71 2HB LEU 71 11.702 -3.816 -5.515 576 2HB LEU 71 1HB LEU 71 13.096 -2.754 -5.512 577 HG LEU 71 HG LEU 71 11.770 -3.987 -3.099 578 1HD1 LEU 71 1HD1 LEU 71 13.235 -5.631 -3.330 579 2HD1 LEU 71 2HD1 LEU 71 14.568 -4.476 -3.341 580 3HD1 LEU 71 3HD1 LEU 71 13.772 -4.919 -4.852 581 1HD2 LEU 71 1HD2 LEU 71 12.459 -2.022 -2.174 582 2HD2 LEU 71 2HD2 LEU 71 13.724 -1.770 -3.377 583 3HD2 LEU 71 3HD2 LEU 71 13.966 -2.932 -2.073 584 H ARG 72 H ARG 72 12.096 -0.071 -3.259 585 HA ARG 72 HA ARG 72 13.588 1.443 -5.284 586 1HB ARG 72 2HB ARG 72 12.704 3.531 -4.576 587 2HB ARG 72 1HB ARG 72 11.325 2.472 -4.839 588 1HG ARG 72 2HG ARG 72 11.312 2.025 -2.377 589 2HG ARG 72 1HG ARG 72 12.533 3.287 -2.210 590 1HD ARG 72 2HD ARG 72 9.894 3.761 -3.567 591 2HD ARG 72 1HD ARG 72 10.114 3.970 -1.830 592 HE ARG 72 HE ARG 72 11.118 5.679 -3.937 593 1HH1 ARG 72 2HH1 ARG 72 11.332 4.749 -0.587 594 2HH1 ARG 72 1HH1 ARG 72 12.064 6.237 -0.086 595 1HH2 ARG 72 1HH2 ARG 72 12.080 7.643 -3.287 596 2HH2 ARG 72 2HH2 ARG 72 12.488 7.883 -1.622 597 H LEU 73 H LEU 73 15.281 2.779 -4.430 598 HA LEU 73 HA LEU 73 16.235 1.842 -1.806 599 1HB LEU 73 2HB LEU 73 17.480 1.700 -4.264 600 2HB LEU 73 1HB LEU 73 18.210 3.120 -3.539 601 HG LEU 73 HG LEU 73 18.829 1.750 -1.562 602 1HD1 LEU 73 1HD1 LEU 73 18.480 -0.538 -1.433 603 2HD1 LEU 73 2HD1 LEU 73 18.154 -0.686 -3.161 604 3HD1 LEU 73 3HD1 LEU 73 16.956 0.053 -2.098 605 1HD2 LEU 73 1HD2 LEU 73 20.592 2.017 -3.034 606 2HD2 LEU 73 2HD2 LEU 73 19.810 1.072 -4.303 607 3HD2 LEU 73 3HD2 LEU 73 20.481 0.263 -2.887 608 H ARG 74 H ARG 74 16.467 3.281 -0.223 609 HA ARG 74 HA ARG 74 15.549 5.890 -0.362 610 1HB ARG 74 2HB ARG 74 16.600 4.200 1.618 611 2HB ARG 74 1HB ARG 74 17.602 5.645 1.657 612 1HG ARG 74 2HG ARG 74 14.982 6.582 1.484 613 2HG ARG 74 1HG ARG 74 14.925 5.240 2.629 614 1HD ARG 74 2HD ARG 74 17.201 7.058 2.979 615 2HD ARG 74 1HD ARG 74 15.624 7.795 3.255 616 HE ARG 74 HE ARG 74 15.851 5.302 4.601 617 1HH1 ARG 74 2HH1 ARG 74 16.809 8.645 4.766 618 2HH1 ARG 74 1HH1 ARG 74 16.964 8.652 6.491 619 1HH2 ARG 74 1HH2 ARG 74 16.051 5.298 6.874 620 2HH2 ARG 74 2HH2 ARG 74 16.533 6.747 7.691 621 H GLY 75 H GLY 75 18.930 4.759 -0.387 622 1HA GLY 75 2HA GLY 75 20.242 5.984 -2.203 623 2HA GLY 75 1HA GLY 75 19.720 7.431 -1.353 624 H GLY 76 HN GLY 76 22.402 6.884 -1.787 625 1HA GLY 76 2HA GLY 76 23.494 5.707 0.631 626 2HA GLY 76 1HA GLY 76 24.410 6.366 -0.715 Start of MODEL 16 1 2H MET 1 2H MET 1 -13.964 -1.514 3.129 2 3H MET 1 3H MET 1 -12.412 -2.144 3.364 3 1H MET 1 1H MET 1 -13.768 -3.123 3.615 4 HA MET 1 HA MET 1 -14.195 -3.398 1.407 5 1HB MET 1 2HB MET 1 -13.133 -1.877 -0.322 6 2HB MET 1 1HB MET 1 -14.354 -1.139 0.707 7 1HG MET 1 2HG MET 1 -12.588 -0.164 2.092 8 2HG MET 1 1HG MET 1 -11.373 -0.889 1.039 9 1HE MET 1 1HE MET 1 -10.781 1.577 -1.582 10 2HE MET 1 2HE MET 1 -10.542 -0.065 -0.986 11 3HE MET 1 3HE MET 1 -10.096 1.312 0.021 12 H GLN 2 H GLN 2 -13.033 -4.618 -0.114 13 HA GLN 2 HA GLN 2 -10.365 -5.383 0.821 14 1HB GLN 2 2HB GLN 2 -12.597 -6.778 -0.495 15 2HB GLN 2 1HB GLN 2 -11.005 -7.213 -1.101 16 1HG GLN 2 2HG GLN 2 -11.408 -7.152 1.838 17 2HG GLN 2 1HG GLN 2 -12.130 -8.475 0.924 18 1HE2 GLN 2 1HE2 GLN 2 -10.774 -9.987 1.886 19 2HE2 GLN 2 2HE2 GLN 2 -9.103 -10.118 1.470 20 H VAL 3 H VAL 3 -8.614 -5.616 -0.591 21 HA VAL 3 HA VAL 3 -8.886 -4.469 -3.274 22 HB VAL 3 HB VAL 3 -6.834 -3.117 -2.951 23 1HG1 VAL 3 1HG1 VAL 3 -9.217 -2.526 -1.212 24 2HG1 VAL 3 2HG1 VAL 3 -8.884 -1.938 -2.840 25 3HG1 VAL 3 3HG1 VAL 3 -7.912 -1.370 -1.482 26 1HG2 VAL 3 1HG2 VAL 3 -6.530 -4.612 -0.648 27 2HG2 VAL 3 2HG2 VAL 3 -6.999 -3.019 -0.053 28 3HG2 VAL 3 3HG2 VAL 3 -5.590 -3.190 -1.100 29 H PHE 4 H PHE 4 -6.662 -4.648 -4.438 30 HA PHE 4 HA PHE 4 -5.419 -7.222 -3.721 31 1HB PHE 4 2HB PHE 4 -5.735 -6.315 -6.571 32 2HB PHE 4 1HB PHE 4 -5.408 -7.933 -5.962 33 HD1 PHE 4 HD1 PHE 4 -7.878 -5.755 -7.211 34 HD2 PHE 4 HD2 PHE 4 -7.294 -8.990 -4.494 35 HE1 PHE 4 HE1 PHE 4 -10.285 -6.275 -7.319 36 HE2 PHE 4 HE2 PHE 4 -9.701 -9.516 -4.597 37 HZ PHE 4 HZ PHE 4 -11.199 -8.157 -6.011 38 H LEU 5 H LEU 5 -3.216 -7.506 -4.463 39 HA LEU 5 HA LEU 5 -1.805 -5.040 -5.179 40 1HB LEU 5 2HB LEU 5 -1.841 -5.700 -2.614 41 2HB LEU 5 1HB LEU 5 -0.575 -6.803 -3.117 42 HG LEU 5 HG LEU 5 0.342 -4.523 -4.229 43 1HD1 LEU 5 1HD1 LEU 5 -0.996 -3.652 -1.674 44 2HD1 LEU 5 2HD1 LEU 5 -1.551 -3.233 -3.295 45 3HD1 LEU 5 3HD1 LEU 5 0.021 -2.671 -2.730 46 1HD2 LEU 5 1HD2 LEU 5 0.764 -5.426 -1.383 47 2HD2 LEU 5 2HD2 LEU 5 1.835 -4.359 -2.290 48 3HD2 LEU 5 3HD2 LEU 5 1.612 -6.031 -2.806 49 H LYS 6 H LYS 6 0.036 -5.332 -6.400 50 HA LYS 6 HA LYS 6 0.501 -8.088 -7.322 51 1HB LYS 6 2HB LYS 6 -0.208 -5.992 -8.844 52 2HB LYS 6 1HB LYS 6 1.539 -5.795 -8.892 53 1HG LYS 6 2HG LYS 6 1.480 -7.214 -10.604 54 2HG LYS 6 1HG LYS 6 1.237 -8.470 -9.388 55 1HD LYS 6 2HD LYS 6 -1.301 -7.502 -9.748 56 2HD LYS 6 1HD LYS 6 -0.620 -7.390 -11.373 57 1HE LYS 6 2HE LYS 6 0.231 -9.856 -10.585 58 2HE LYS 6 1HE LYS 6 -1.335 -9.746 -9.782 59 1HZ LYS 6 1HZ LYS 6 -2.442 -9.543 -11.790 60 2HZ LYS 6 2HZ LYS 6 -1.239 -10.677 -12.150 61 3HZ LYS 6 3HZ LYS 6 -1.058 -9.069 -12.639 62 H THR 7 H THR 7 2.491 -8.975 -7.242 63 HA THR 7 HA THR 7 4.566 -7.437 -5.853 64 HB THR 7 HB THR 7 5.609 -9.906 -5.885 65 HG1 THR 7 HG1 THR 7 3.954 -11.436 -5.734 66 1HG2 THR 7 1HG2 THR 7 5.426 -9.266 -3.742 67 2HG2 THR 7 2HG2 THR 7 3.889 -10.132 -3.754 68 3HG2 THR 7 3HG2 THR 7 3.923 -8.393 -4.041 69 H LEU 8 H LEU 8 6.874 -8.434 -6.494 70 HA LEU 8 HA LEU 8 7.323 -7.539 -9.174 71 1HB LEU 8 2HB LEU 8 9.389 -8.965 -7.543 72 2HB LEU 8 1HB LEU 8 9.597 -7.654 -8.688 73 HG LEU 8 HG LEU 8 8.327 -7.379 -5.963 74 1HD1 LEU 8 1HD1 LEU 8 10.396 -6.105 -5.435 75 2HD1 LEU 8 2HD1 LEU 8 11.079 -6.673 -6.958 76 3HD1 LEU 8 3HD1 LEU 8 10.662 -7.829 -5.695 77 1HD2 LEU 8 1HD2 LEU 8 7.869 -5.227 -6.441 78 2HD2 LEU 8 2HD2 LEU 8 7.873 -5.805 -8.108 79 3HD2 LEU 8 3HD2 LEU 8 9.310 -5.031 -7.439 80 H THR 9 H THR 9 6.516 -10.523 -7.809 81 HA THR 9 HA THR 9 7.718 -12.047 -10.008 82 HB THR 9 HB THR 9 7.532 -13.965 -8.743 83 HG1 THR 9 HG1 THR 9 5.649 -14.385 -7.892 84 1HG2 THR 9 1HG2 THR 9 9.007 -12.393 -7.574 85 2HG2 THR 9 2HG2 THR 9 8.187 -13.466 -6.440 86 3HG2 THR 9 3HG2 THR 9 7.635 -11.802 -6.636 87 H GLY 10 H GLY 10 4.665 -10.941 -8.761 88 1HA GLY 10 2HA GLY 10 3.029 -10.778 -10.725 89 2HA GLY 10 1HA GLY 10 3.243 -12.520 -10.803 90 H LYS 11 H LYS 11 3.090 -13.419 -8.332 91 HA LYS 11 HA LYS 11 0.643 -13.908 -7.608 92 1HB LYS 11 2HB LYS 11 2.617 -14.583 -6.290 93 2HB LYS 11 1HB LYS 11 2.673 -12.978 -5.573 94 1HG LYS 11 2HG LYS 11 0.398 -13.378 -4.651 95 2HG LYS 11 1HG LYS 11 0.498 -15.033 -5.254 96 1HD LYS 11 2HD LYS 11 1.194 -15.270 -3.060 97 2HD LYS 11 1HD LYS 11 2.727 -15.109 -3.921 98 1HE LYS 11 2HE LYS 11 2.930 -12.822 -3.285 99 2HE LYS 11 1HE LYS 11 1.286 -12.791 -2.650 100 1HZ LYS 11 1HZ LYS 11 2.796 -12.962 -0.833 101 2HZ LYS 11 2HZ LYS 11 3.604 -14.272 -1.535 102 3HZ LYS 11 3HZ LYS 11 2.015 -14.456 -0.984 103 H THR 12 H THR 12 -1.076 -13.100 -6.442 104 HA THR 12 HA THR 12 -1.091 -10.180 -6.042 105 HB THR 12 HB THR 12 -3.452 -11.864 -6.897 106 HG1 THR 12 HG1 THR 12 -2.062 -11.677 -8.640 107 1HG2 THR 12 1HG2 THR 12 -4.603 -10.111 -6.103 108 2HG2 THR 12 2HG2 THR 12 -3.971 -9.226 -7.492 109 3HG2 THR 12 3HG2 THR 12 -3.150 -9.125 -5.935 110 H VAL 13 H VAL 13 -1.702 -9.472 -4.082 111 HA VAL 13 HA VAL 13 -2.769 -11.462 -2.192 112 HB VAL 13 HB VAL 13 -1.836 -10.080 -0.390 113 1HG1 VAL 13 1HG1 VAL 13 -0.142 -11.500 -0.620 114 2HG1 VAL 13 2HG1 VAL 13 0.667 -10.278 -1.601 115 3HG1 VAL 13 3HG1 VAL 13 -0.319 -11.518 -2.374 116 1HG2 VAL 13 1HG2 VAL 13 -0.127 -8.481 -2.154 117 2HG2 VAL 13 2HG2 VAL 13 -0.960 -8.033 -0.665 118 3HG2 VAL 13 3HG2 VAL 13 -1.835 -8.045 -2.196 119 H THR 14 H THR 14 -4.212 -10.619 -0.498 120 HA THR 14 HA THR 14 -5.889 -8.419 -1.519 121 HB THR 14 HB THR 14 -7.610 -9.769 0.072 122 HG1 THR 14 HG1 THR 14 -7.275 -12.035 -0.533 123 1HG2 THR 14 1HG2 THR 14 -7.090 -10.495 -2.812 124 2HG2 THR 14 2HG2 THR 14 -7.923 -9.030 -2.290 125 3HG2 THR 14 3HG2 THR 14 -8.621 -10.613 -1.943 126 H ILE 15 H ILE 15 -6.163 -6.727 -0.229 127 HA ILE 15 HA ILE 15 -5.658 -7.046 2.654 128 HB ILE 15 HB ILE 15 -4.892 -4.588 1.083 129 1HG1 ILE 15 2HG1 ILE 15 -3.572 -6.627 0.417 130 2HG1 ILE 15 1HG1 ILE 15 -2.610 -5.325 1.111 131 1HG2 ILE 15 1HG2 ILE 15 -3.458 -4.988 3.523 132 2HG2 ILE 15 2HG2 ILE 15 -5.190 -5.103 3.834 133 3HG2 ILE 15 3HG2 ILE 15 -4.528 -3.662 3.065 134 1HD1 ILE 15 1HD1 ILE 15 -3.332 -6.929 3.270 135 2HD1 ILE 15 2HD1 ILE 15 -1.751 -6.814 2.498 136 3HD1 ILE 15 3HD1 ILE 15 -2.901 -8.045 1.974 137 H GLU 16 H GLU 16 -7.045 -5.990 4.016 138 HA GLU 16 HA GLU 16 -9.372 -4.750 2.745 139 1HB GLU 16 2HB GLU 16 -10.535 -5.167 4.842 140 2HB GLU 16 1HB GLU 16 -9.783 -6.645 4.255 141 1HG GLU 16 2HG GLU 16 -7.983 -5.245 5.994 142 2HG GLU 16 1HG GLU 16 -9.540 -5.486 6.786 143 H VAL 17 H VAL 17 -9.801 -2.655 2.916 144 HA VAL 17 HA VAL 17 -8.603 -1.094 5.081 145 HB VAL 17 HB VAL 17 -7.899 0.684 3.556 146 1HG1 VAL 17 1HG1 VAL 17 -6.758 -2.059 3.179 147 2HG1 VAL 17 2HG1 VAL 17 -6.122 -0.706 4.115 148 3HG1 VAL 17 3HG1 VAL 17 -6.059 -0.666 2.353 149 1HG2 VAL 17 1HG2 VAL 17 -7.902 -0.827 1.098 150 2HG2 VAL 17 2HG2 VAL 17 -8.522 0.792 1.423 151 3HG2 VAL 17 3HG2 VAL 17 -9.541 -0.616 1.716 152 H GLU 18 H GLU 18 -9.490 1.266 4.917 153 HA GLU 18 HA GLU 18 -12.303 1.182 4.056 154 1HB GLU 18 2HB GLU 18 -11.178 1.991 6.719 155 2HB GLU 18 1HB GLU 18 -12.700 2.662 6.149 156 1HG GLU 18 2HG GLU 18 -12.164 -0.288 6.370 157 2HG GLU 18 1HG GLU 18 -12.894 0.673 7.656 158 HA PRO 19 HA PRO 19 -11.419 4.845 1.749 159 1HB PRO 19 2HB PRO 19 -14.178 5.557 2.655 160 2HB PRO 19 1HB PRO 19 -13.479 5.608 1.032 161 1HG PRO 19 2HG PRO 19 -15.124 3.637 1.740 162 2HG PRO 19 1HG PRO 19 -13.708 3.319 0.720 163 1HD PRO 19 2HD PRO 19 -14.147 2.700 3.599 164 2HD PRO 19 1HD PRO 19 -13.202 1.818 2.385 165 H SER 20 H SER 20 -9.886 5.659 3.253 166 HA SER 20 HA SER 20 -9.996 8.148 4.112 167 1HB SER 20 2HB SER 20 -10.585 7.829 6.667 168 2HB SER 20 1HB SER 20 -11.855 8.125 5.479 169 HG SER 20 HG SER 20 -12.342 6.361 6.865 170 H ASP 21 H ASP 21 -8.617 5.143 4.292 171 HA ASP 21 HA ASP 21 -6.850 5.496 6.496 172 1HB ASP 21 2HB ASP 21 -7.137 3.562 4.254 173 2HB ASP 21 1HB ASP 21 -5.560 3.668 5.029 174 H THR 22 H THR 22 -4.426 5.472 6.146 175 HA THR 22 HA THR 22 -3.746 7.517 4.141 176 HB THR 22 HB THR 22 -1.677 7.820 5.648 177 HG1 THR 22 HG1 THR 22 -1.710 6.882 7.578 178 1HG2 THR 22 1HG2 THR 22 -3.346 8.999 7.412 179 2HG2 THR 22 2HG2 THR 22 -4.453 8.728 6.067 180 3HG2 THR 22 3HG2 THR 22 -2.979 9.664 5.820 181 H VAL 23 H VAL 23 -2.116 7.198 2.712 182 HA VAL 23 HA VAL 23 -1.435 4.762 1.747 183 HB VAL 23 HB VAL 23 0.405 7.159 1.807 184 1HG1 VAL 23 1HG1 VAL 23 0.471 4.576 0.302 185 2HG1 VAL 23 2HG1 VAL 23 1.781 5.434 1.112 186 3HG1 VAL 23 3HG1 VAL 23 1.144 6.038 -0.417 187 1HG2 VAL 23 1HG2 VAL 23 -1.713 7.760 0.849 188 2HG2 VAL 23 2HG2 VAL 23 -1.719 6.312 -0.158 189 3HG2 VAL 23 3HG2 VAL 23 -0.539 7.587 -0.455 190 H GLU 24 H GLU 24 0.298 6.527 4.285 191 HA GLU 24 HA GLU 24 2.474 4.846 4.620 192 1HB GLU 24 2HB GLU 24 2.317 6.973 5.774 193 2HB GLU 24 1HB GLU 24 0.937 6.404 6.704 194 1HG GLU 24 2HG GLU 24 2.266 5.567 8.257 195 2HG GLU 24 1HG GLU 24 3.133 4.607 7.058 196 H ASN 25 H ASN 25 -0.667 4.698 6.289 197 HA ASN 25 HA ASN 25 -0.212 2.458 7.848 198 1HB ASN 25 2HB ASN 25 -2.522 3.957 6.928 199 2HB ASN 25 1HB ASN 25 -2.880 2.237 7.056 200 1HD2 ASN 25 1HD2 ASN 25 -1.534 4.972 8.826 201 2HD2 ASN 25 2HD2 ASN 25 -2.004 4.419 10.393 202 H PHE 26 H PHE 26 -1.517 2.616 4.543 203 HA PHE 26 HA PHE 26 -1.998 -0.072 4.118 204 1HB PHE 26 2HB PHE 26 -2.540 1.820 2.548 205 2HB PHE 26 1HB PHE 26 -0.851 1.812 2.049 206 HD1 PHE 26 HD1 PHE 26 -2.806 -1.211 2.843 207 HD2 PHE 26 HD2 PHE 26 -1.192 1.262 -0.233 208 HE1 PHE 26 HE1 PHE 26 -3.309 -2.960 1.180 209 HE2 PHE 26 HE2 PHE 26 -1.693 -0.483 -1.902 210 HZ PHE 26 HZ PHE 26 -2.753 -2.596 -1.196 211 H LYS 27 H LYS 27 1.039 1.706 3.895 212 HA LYS 27 HA LYS 27 2.570 -0.447 2.849 213 1HB LYS 27 2HB LYS 27 3.443 2.005 4.387 214 2HB LYS 27 1HB LYS 27 4.527 0.909 3.543 215 1HG LYS 27 2HG LYS 27 3.895 1.652 1.473 216 2HG LYS 27 1HG LYS 27 2.301 2.171 2.025 217 1HD LYS 27 2HD LYS 27 3.084 4.248 2.165 218 2HD LYS 27 1HD LYS 27 4.155 3.711 3.460 219 1HE LYS 27 2HE LYS 27 5.244 2.943 0.924 220 2HE LYS 27 1HE LYS 27 4.862 4.664 0.907 221 1HZ LYS 27 1HZ LYS 27 6.050 4.292 3.323 222 2HZ LYS 27 2HZ LYS 27 6.800 4.918 1.942 223 3HZ LYS 27 3HZ LYS 27 6.940 3.272 2.306 224 H ALA 28 H ALA 28 1.763 0.641 6.087 225 HA ALA 28 HA ALA 28 3.611 -0.907 7.528 226 1HB ALA 28 1HB ALA 28 0.849 -0.167 8.469 227 2HB ALA 28 2HB ALA 28 2.198 0.969 8.425 228 3HB ALA 28 3HB ALA 28 2.284 -0.464 9.450 229 H LYS 29 H LYS 29 0.423 -1.647 6.234 230 HA LYS 29 HA LYS 29 0.160 -4.172 7.523 231 1HB LYS 29 2HB LYS 29 -1.187 -3.278 4.972 232 2HB LYS 29 1HB LYS 29 -1.736 -4.524 6.086 233 1HG LYS 29 2HG LYS 29 -2.039 -2.782 7.817 234 2HG LYS 29 1HG LYS 29 -1.605 -1.564 6.616 235 1HD LYS 29 2HD LYS 29 -3.516 -2.047 5.300 236 2HD LYS 29 1HD LYS 29 -3.860 -3.516 6.216 237 1HE LYS 29 2HE LYS 29 -5.373 -2.124 7.190 238 2HE LYS 29 1HE LYS 29 -3.982 -1.792 8.222 239 1HZ LYS 29 1HZ LYS 29 -5.336 0.145 7.168 240 2HZ LYS 29 2HZ LYS 29 -4.379 -0.168 5.810 241 3HZ LYS 29 3HZ LYS 29 -3.651 0.248 7.278 242 H ILE 30 H ILE 30 0.963 -3.263 4.168 243 HA ILE 30 HA ILE 30 1.449 -5.811 3.177 244 HB ILE 30 HB ILE 30 2.890 -3.270 2.407 245 1HG1 ILE 30 2HG1 ILE 30 0.639 -4.386 0.812 246 2HG1 ILE 30 1HG1 ILE 30 0.231 -3.572 2.320 247 1HG2 ILE 30 1HG2 ILE 30 2.747 -4.734 0.148 248 2HG2 ILE 30 2HG2 ILE 30 2.907 -6.017 1.348 249 3HG2 ILE 30 3HG2 ILE 30 4.129 -4.749 1.243 250 1HD1 ILE 30 1HD1 ILE 30 1.803 -1.705 1.349 251 2HD1 ILE 30 2HD1 ILE 30 0.111 -1.829 0.866 252 3HD1 ILE 30 3HD1 ILE 30 1.377 -2.469 -0.183 253 H GLN 31 H GLN 31 3.654 -3.578 4.818 254 HA GLN 31 HA GLN 31 6.059 -4.838 4.531 255 1HB GLN 31 2HB GLN 31 6.039 -2.788 5.696 256 2HB GLN 31 1HB GLN 31 4.878 -3.375 6.880 257 1HG GLN 31 2HG GLN 31 6.669 -4.998 7.629 258 2HG GLN 31 1HG GLN 31 7.789 -4.060 6.639 259 1HE2 GLN 31 1HE2 GLN 31 8.917 -3.654 8.627 260 2HE2 GLN 31 2HE2 GLN 31 8.375 -2.399 9.683 261 H ASP 32 H ASP 32 4.023 -5.340 7.420 262 HA ASP 32 HA ASP 32 5.327 -7.473 8.509 263 1HB ASP 32 2HB ASP 32 3.113 -6.166 9.196 264 2HB ASP 32 1HB ASP 32 2.351 -7.601 8.515 265 H LYS 33 H LYS 33 3.183 -7.487 5.746 266 HA LYS 33 HA LYS 33 2.748 -10.271 5.603 267 1HB LYS 33 2HB LYS 33 2.794 -8.310 3.306 268 2HB LYS 33 1HB LYS 33 1.991 -9.873 3.340 269 1HG LYS 33 2HG LYS 33 0.965 -8.494 5.530 270 2HG LYS 33 1HG LYS 33 1.048 -7.304 4.229 271 1HD LYS 33 2HD LYS 33 -1.096 -8.403 4.160 272 2HD LYS 33 1HD LYS 33 -0.149 -8.897 2.756 273 1HE LYS 33 2HE LYS 33 0.047 -10.570 5.196 274 2HE LYS 33 1HE LYS 33 -1.463 -10.637 4.289 275 1HZ LYS 33 1HZ LYS 33 0.494 -10.821 2.387 276 2HZ LYS 33 2HZ LYS 33 -0.443 -12.096 2.984 277 3HZ LYS 33 3HZ LYS 33 1.075 -11.776 3.659 278 H GLU 34 H GLU 34 4.658 -8.440 3.226 279 HA GLU 34 HA GLU 34 6.417 -10.769 2.959 280 1HB GLU 34 2HB GLU 34 6.259 -8.352 1.160 281 2HB GLU 34 1HB GLU 34 7.054 -9.882 0.818 282 1HG GLU 34 2HG GLU 34 4.365 -10.470 1.419 283 2HG GLU 34 1HG GLU 34 4.364 -9.099 0.310 284 H GLY 35 H GLY 35 6.645 -8.880 5.189 285 1HA GLY 35 2HA GLY 35 8.191 -7.491 6.218 286 2HA GLY 35 1HA GLY 35 9.289 -8.735 5.641 287 H ILE 36 H ILE 36 7.719 -5.703 4.660 288 HA ILE 36 HA ILE 36 10.197 -4.989 3.249 289 HB ILE 36 HB ILE 36 7.501 -4.249 2.142 290 1HG1 ILE 36 2HG1 ILE 36 7.939 -6.789 2.289 291 2HG1 ILE 36 1HG1 ILE 36 7.480 -6.122 0.726 292 1HG2 ILE 36 1HG2 ILE 36 9.257 -4.355 0.072 293 2HG2 ILE 36 2HG2 ILE 36 10.309 -3.851 1.395 294 3HG2 ILE 36 3HG2 ILE 36 8.880 -2.900 0.994 295 1HD1 ILE 36 1HD1 ILE 36 9.337 -6.876 -0.200 296 2HD1 ILE 36 2HD1 ILE 36 9.693 -7.704 1.315 297 3HD1 ILE 36 3HD1 ILE 36 10.332 -6.087 1.023 298 HA PRO 37 HA PRO 37 9.661 -1.485 5.999 299 1HB PRO 37 2HB PRO 37 11.973 -0.457 4.471 300 2HB PRO 37 1HB PRO 37 11.801 -0.720 6.208 301 1HG PRO 37 2HG PRO 37 13.327 -2.324 4.702 302 2HG PRO 37 1HG PRO 37 12.377 -2.956 6.060 303 1HD PRO 37 2HD PRO 37 11.805 -3.082 3.123 304 2HD PRO 37 1HD PRO 37 11.573 -4.325 4.370 305 HA PRO 38 HA PRO 38 7.199 1.203 3.473 306 1HB PRO 38 2HB PRO 38 8.146 3.242 5.435 307 2HB PRO 38 1HB PRO 38 6.502 2.869 4.906 308 1HG PRO 38 2HG PRO 38 7.379 2.058 7.286 309 2HG PRO 38 1HG PRO 38 6.333 1.019 6.300 310 1HD PRO 38 2HD PRO 38 9.267 0.831 6.800 311 2HD PRO 38 1HD PRO 38 8.075 -0.463 6.566 312 H ASP 39 H ASP 39 10.316 2.430 4.670 313 HA ASP 39 HA ASP 39 10.685 4.440 2.762 314 1HB ASP 39 2HB ASP 39 12.036 3.842 4.932 315 2HB ASP 39 1HB ASP 39 13.022 2.892 3.824 316 H GLN 40 H GLN 40 10.705 1.073 2.395 317 HA GLN 40 HA GLN 40 11.984 1.337 -0.244 318 1HB GLN 40 2HB GLN 40 13.125 -0.070 1.691 319 2HB GLN 40 1HB GLN 40 11.974 -1.292 1.167 320 1HG GLN 40 2HG GLN 40 12.974 -1.563 -0.872 321 2HG GLN 40 1HG GLN 40 13.647 0.067 -0.881 322 1HE2 GLN 40 1HE2 GLN 40 15.600 0.457 0.099 323 2HE2 GLN 40 2HE2 GLN 40 16.644 -0.802 0.655 324 H GLN 41 H GLN 41 9.260 1.770 0.142 325 HA GLN 41 HA GLN 41 8.145 -0.526 -1.310 326 1HB GLN 41 2HB GLN 41 7.048 0.805 1.141 327 2HB GLN 41 1HB GLN 41 5.946 0.108 -0.038 328 1HG GLN 41 2HG GLN 41 7.442 -2.003 0.213 329 2HG GLN 41 1HG GLN 41 7.928 -1.245 1.728 330 1HE2 GLN 41 1HE2 GLN 41 6.622 -1.388 3.447 331 2HE2 GLN 41 2HE2 GLN 41 5.050 -2.104 3.436 332 H ARG 42 H ARG 42 7.500 0.148 -3.239 333 HA ARG 42 HA ARG 42 6.575 2.928 -3.524 334 1HB ARG 42 2HB ARG 42 8.474 1.418 -4.993 335 2HB ARG 42 1HB ARG 42 7.100 1.699 -6.055 336 1HG ARG 42 2HG ARG 42 8.722 3.454 -6.335 337 2HG ARG 42 1HG ARG 42 7.262 4.110 -5.588 338 1HD ARG 42 2HD ARG 42 9.142 3.177 -3.601 339 2HD ARG 42 1HD ARG 42 9.875 4.372 -4.671 340 HE ARG 42 HE ARG 42 7.450 5.436 -3.971 341 1HH1 ARG 42 2HH1 ARG 42 10.262 4.308 -2.253 342 2HH1 ARG 42 1HH1 ARG 42 10.048 5.400 -0.925 343 1HH2 ARG 42 1HH2 ARG 42 7.158 6.874 -2.227 344 2HH2 ARG 42 2HH2 ARG 42 8.283 6.859 -0.911 345 H LEU 43 H LEU 43 4.423 3.020 -3.492 346 HA LEU 43 HA LEU 43 2.884 0.875 -4.774 347 1HB LEU 43 2HB LEU 43 1.976 3.054 -2.890 348 2HB LEU 43 1HB LEU 43 0.960 1.781 -3.540 349 HG LEU 43 HG LEU 43 3.040 1.640 -1.412 350 1HD1 LEU 43 1HD1 LEU 43 0.682 1.789 -0.820 351 2HD1 LEU 43 2HD1 LEU 43 1.354 0.227 -0.350 352 3HD1 LEU 43 3HD1 LEU 43 0.339 0.354 -1.786 353 1HD2 LEU 43 1HD2 LEU 43 2.368 -0.556 -3.347 354 2HD2 LEU 43 2HD2 LEU 43 2.931 -0.892 -1.709 355 3HD2 LEU 43 3HD2 LEU 43 3.956 0.010 -2.826 356 H ILE 44 H ILE 44 2.558 1.305 -6.869 357 HA ILE 44 HA ILE 44 1.999 4.062 -7.694 358 HB ILE 44 HB ILE 44 2.388 1.753 -9.574 359 1HG1 ILE 44 2HG1 ILE 44 4.317 1.719 -8.093 360 2HG1 ILE 44 1HG1 ILE 44 4.790 2.358 -9.664 361 1HG2 ILE 44 1HG2 ILE 44 1.840 4.495 -9.878 362 2HG2 ILE 44 2HG2 ILE 44 2.202 3.314 -11.138 363 3HG2 ILE 44 3HG2 ILE 44 3.506 4.249 -10.404 364 1HD1 ILE 44 1HD1 ILE 44 5.586 4.174 -8.698 365 2HD1 ILE 44 2HD1 ILE 44 5.142 3.518 -7.122 366 3HD1 ILE 44 3HD1 ILE 44 4.002 4.529 -8.010 367 H PHE 45 H PHE 45 -0.035 4.668 -7.971 368 HA PHE 45 HA PHE 45 -1.993 2.687 -8.916 369 1HB PHE 45 2HB PHE 45 -2.211 3.129 -6.444 370 2HB PHE 45 1HB PHE 45 -2.591 4.802 -6.840 371 HD1 PHE 45 HD1 PHE 45 -3.689 1.359 -7.789 372 HD2 PHE 45 HD2 PHE 45 -4.802 5.390 -6.956 373 HE1 PHE 45 HE1 PHE 45 -6.064 0.754 -8.057 374 HE2 PHE 45 HE2 PHE 45 -7.180 4.793 -7.222 375 HZ PHE 45 HZ PHE 45 -7.811 2.472 -7.773 376 H ALA 46 H ALA 46 -3.306 3.370 -10.522 377 HA ALA 46 HA ALA 46 -3.808 4.663 -12.362 378 1HB ALA 46 1HB ALA 46 -5.340 6.352 -11.830 379 2HB ALA 46 2HB ALA 46 -4.520 6.743 -10.318 380 3HB ALA 46 3HB ALA 46 -5.427 5.237 -10.467 381 H GLY 47 H GLY 47 -1.160 4.800 -12.232 382 1HA GLY 47 2HA GLY 47 0.687 6.076 -12.731 383 2HA GLY 47 1HA GLY 47 -0.462 7.136 -13.535 384 H LYS 48 H LYS 48 0.084 6.348 -10.108 385 HA LYS 48 HA LYS 48 1.047 9.021 -9.567 386 1HB LYS 48 2HB LYS 48 -1.560 8.981 -9.573 387 2HB LYS 48 1HB LYS 48 -1.381 8.158 -8.029 388 1HG LYS 48 2HG LYS 48 -1.543 10.307 -7.309 389 2HG LYS 48 1HG LYS 48 0.206 10.195 -7.513 390 1HD LYS 48 2HD LYS 48 -0.110 12.107 -8.685 391 2HD LYS 48 1HD LYS 48 -0.478 10.973 -9.987 392 1HE LYS 48 2HE LYS 48 -2.906 11.128 -9.001 393 2HE LYS 48 1HE LYS 48 -2.317 12.657 -8.351 394 1HZ LYS 48 1HZ LYS 48 -2.198 11.898 -11.218 395 2HZ LYS 48 2HZ LYS 48 -1.792 13.398 -10.553 396 3HZ LYS 48 3HZ LYS 48 -3.400 12.874 -10.537 397 H GLN 49 H GLN 49 2.813 8.492 -8.439 398 HA GLN 49 HA GLN 49 3.094 6.163 -6.879 399 1HB GLN 49 2HB GLN 49 4.792 8.106 -7.851 400 2HB GLN 49 1HB GLN 49 4.846 8.379 -6.115 401 1HG GLN 49 2HG GLN 49 6.220 6.672 -5.863 402 2HG GLN 49 1HG GLN 49 5.040 5.585 -6.592 403 1HE2 GLN 49 1HE2 GLN 49 8.022 5.806 -6.764 404 2HE2 GLN 49 2HE2 GLN 49 8.360 5.837 -8.458 405 H LEU 50 H LEU 50 1.468 5.991 -5.359 406 HA LEU 50 HA LEU 50 0.411 7.867 -3.688 407 1HB LEU 50 2HB LEU 50 1.096 5.005 -3.011 408 2HB LEU 50 1HB LEU 50 0.026 6.023 -2.065 409 HG LEU 50 HG LEU 50 -0.800 5.943 -4.839 410 1HD1 LEU 50 1HD1 LEU 50 -1.585 3.390 -3.991 411 2HD1 LEU 50 2HD1 LEU 50 0.160 3.473 -3.747 412 3HD1 LEU 50 3HD1 LEU 50 -0.525 3.801 -5.339 413 1HD2 LEU 50 1HD2 LEU 50 -2.793 6.147 -3.868 414 2HD2 LEU 50 2HD2 LEU 50 -1.924 6.280 -2.340 415 3HD2 LEU 50 3HD2 LEU 50 -2.541 4.715 -2.870 416 H GLU 51 H GLU 51 1.099 9.103 -2.065 417 HA GLU 51 HA GLU 51 3.754 8.534 -0.921 418 1HB GLU 51 2HB GLU 51 2.337 11.201 -1.054 419 2HB GLU 51 1HB GLU 51 3.986 10.911 -0.517 420 1HG GLU 51 2HG GLU 51 2.973 10.417 -3.307 421 2HG GLU 51 1HG GLU 51 3.849 11.857 -2.785 422 H ASP 52 H ASP 52 4.052 8.667 1.305 423 HA ASP 52 HA ASP 52 1.852 7.929 2.916 424 1HB ASP 52 2HB ASP 52 4.628 8.850 3.683 425 2HB ASP 52 1HB ASP 52 3.461 8.167 4.811 426 H GLY 53 H GLY 53 0.819 10.094 1.900 427 1HA GLY 53 2HA GLY 53 0.637 11.912 4.171 428 2HA GLY 53 1HA GLY 53 1.096 12.611 2.626 429 H ARG 54 H ARG 54 -0.674 10.661 1.175 430 HA ARG 54 HA ARG 54 -3.161 12.145 1.610 431 1HB ARG 54 2HB ARG 54 -2.091 10.568 -0.726 432 2HB ARG 54 1HB ARG 54 -3.765 11.102 -0.644 433 1HG ARG 54 2HG ARG 54 -1.847 13.235 -0.123 434 2HG ARG 54 1HG ARG 54 -1.686 12.512 -1.725 435 1HD ARG 54 2HD ARG 54 -3.478 13.610 -2.433 436 2HD ARG 54 1HD ARG 54 -4.454 12.882 -1.158 437 HE ARG 54 HE ARG 54 -4.341 14.852 -0.002 438 1HH1 ARG 54 2HH1 ARG 54 -1.858 14.824 -2.443 439 2HH1 ARG 54 1HH1 ARG 54 -1.403 16.476 -2.183 440 1HH2 ARG 54 1HH2 ARG 54 -3.751 17.027 0.348 441 2HH2 ARG 54 2HH2 ARG 54 -2.480 17.728 -0.596 442 H THR 55 H THR 55 -5.147 10.709 0.847 443 HA THR 55 HA THR 55 -5.009 8.202 2.395 444 HB THR 55 HB THR 55 -7.132 8.540 3.262 445 HG1 THR 55 HG1 THR 55 -8.694 9.389 2.102 446 1HG2 THR 55 1HG2 THR 55 -5.853 10.135 4.393 447 2HG2 THR 55 2HG2 THR 55 -7.266 11.047 3.861 448 3HG2 THR 55 3HG2 THR 55 -5.743 11.186 2.982 449 H LEU 56 H LEU 56 -6.404 6.468 1.701 450 HA LEU 56 HA LEU 56 -6.205 5.757 -0.931 451 1HB LEU 56 2HB LEU 56 -8.641 4.890 0.553 452 2HB LEU 56 1HB LEU 56 -7.557 3.949 -0.453 453 HG LEU 56 HG LEU 56 -7.172 4.797 2.405 454 1HD1 LEU 56 1HD1 LEU 56 -7.089 2.127 1.007 455 2HD1 LEU 56 2HD1 LEU 56 -8.396 2.732 2.027 456 3HD1 LEU 56 3HD1 LEU 56 -6.813 2.396 2.728 457 1HD2 LEU 56 1HD2 LEU 56 -5.139 4.207 0.341 458 2HD2 LEU 56 2HD2 LEU 56 -4.925 3.440 1.915 459 3HD2 LEU 56 3HD2 LEU 56 -5.028 5.197 1.797 460 H SER 57 H SER 57 -9.016 7.255 0.634 461 HA SER 57 HA SER 57 -10.689 7.390 -1.586 462 1HB SER 57 2HB SER 57 -12.058 8.739 -0.304 463 2HB SER 57 1HB SER 57 -11.069 8.002 0.958 464 HG SER 57 HG SER 57 -11.368 10.429 0.874 465 H ASP 58 H ASP 58 -8.031 9.457 -0.618 466 HA ASP 58 HA ASP 58 -8.577 11.628 -2.335 467 1HB ASP 58 2HB ASP 58 -5.984 10.636 -1.142 468 2HB ASP 58 1HB ASP 58 -6.125 12.137 -2.052 469 H TYR 59 H TYR 59 -7.204 8.500 -2.885 470 HA TYR 59 HA TYR 59 -6.259 9.288 -5.544 471 1HB TYR 59 2HB TYR 59 -5.833 6.800 -3.887 472 2HB TYR 59 1HB TYR 59 -5.323 6.928 -5.567 473 HD1 TYR 59 HD1 TYR 59 -3.612 8.666 -6.194 474 HD2 TYR 59 HD2 TYR 59 -4.535 7.732 -2.139 475 HE1 TYR 59 HE1 TYR 59 -1.499 9.712 -5.478 476 HE2 TYR 59 HE2 TYR 59 -2.426 8.776 -1.411 477 HH TYR 59 HH TYR 59 -0.477 10.663 -3.541 478 H ASN 60 H ASN 60 -8.987 8.039 -4.074 479 HA ASN 60 HA ASN 60 -10.969 7.354 -4.999 480 1HB ASN 60 2HB ASN 60 -9.616 8.344 -7.220 481 2HB ASN 60 1HB ASN 60 -10.071 6.709 -7.692 482 1HD2 ASN 60 1HD2 ASN 60 -11.083 9.021 -8.886 483 2HD2 ASN 60 2HD2 ASN 60 -12.776 9.112 -8.554 484 H ILE 61 H ILE 61 -9.359 5.610 -3.639 485 HA ILE 61 HA ILE 61 -9.077 3.161 -5.160 486 HB ILE 61 HB ILE 61 -8.690 3.665 -2.206 487 1HG1 ILE 61 2HG1 ILE 61 -6.740 3.560 -4.515 488 2HG1 ILE 61 1HG1 ILE 61 -7.099 4.948 -3.492 489 1HG2 ILE 61 1HG2 ILE 61 -9.200 1.289 -2.996 490 2HG2 ILE 61 2HG2 ILE 61 -7.748 1.531 -2.024 491 3HG2 ILE 61 3HG2 ILE 61 -7.618 1.341 -3.772 492 1HD1 ILE 61 1HD1 ILE 61 -5.820 2.402 -2.532 493 2HD1 ILE 61 2HD1 ILE 61 -6.072 3.879 -1.603 494 3HD1 ILE 61 3HD1 ILE 61 -4.950 3.874 -2.964 495 H GLN 62 H GLN 62 -10.674 1.754 -5.455 496 HA GLN 62 HA GLN 62 -13.016 1.884 -3.701 497 1HB GLN 62 2HB GLN 62 -12.553 1.044 -6.516 498 2HB GLN 62 1HB GLN 62 -13.831 0.225 -5.629 499 1HG GLN 62 2HG GLN 62 -13.600 3.131 -6.318 500 2HG GLN 62 1HG GLN 62 -14.883 1.995 -6.733 501 1HE2 GLN 62 1HE2 GLN 62 -15.131 4.565 -5.459 502 2HE2 GLN 62 2HE2 GLN 62 -15.859 4.291 -3.916 503 H LYS 63 H LYS 63 -14.155 -0.461 -3.732 504 HA LYS 63 HA LYS 63 -12.407 -2.098 -2.145 505 1HB LYS 63 2HB LYS 63 -14.434 -3.562 -1.937 506 2HB LYS 63 1HB LYS 63 -14.670 -1.901 -1.410 507 1HG LYS 63 2HG LYS 63 -16.282 -1.559 -2.897 508 2HG LYS 63 1HG LYS 63 -15.328 -2.256 -4.209 509 1HD LYS 63 2HD LYS 63 -16.561 -4.103 -4.154 510 2HD LYS 63 1HD LYS 63 -16.145 -4.352 -2.458 511 1HE LYS 63 2HE LYS 63 -18.495 -4.244 -2.518 512 2HE LYS 63 1HE LYS 63 -17.968 -2.673 -1.915 513 1HZ LYS 63 1HZ LYS 63 -19.707 -2.455 -3.582 514 2HZ LYS 63 2HZ LYS 63 -18.753 -3.266 -4.718 515 3HZ LYS 63 3HZ LYS 63 -18.265 -1.759 -4.128 516 H GLU 64 H GLU 64 -12.558 -1.783 -5.359 517 HA GLU 64 HA GLU 64 -11.834 -4.597 -5.787 518 1HB GLU 64 2HB GLU 64 -13.693 -2.894 -7.431 519 2HB GLU 64 1HB GLU 64 -12.847 -4.266 -8.136 520 1HG GLU 64 2HG GLU 64 -14.217 -4.881 -5.632 521 2HG GLU 64 1HG GLU 64 -15.289 -4.359 -6.931 522 H SER 65 H SER 65 -10.479 -1.848 -5.468 523 HA SER 65 HA SER 65 -9.149 -1.489 -8.008 524 1HB SER 65 2HB SER 65 -8.764 -0.194 -5.303 525 2HB SER 65 1HB SER 65 -7.812 0.223 -6.727 526 HG SER 65 HG SER 65 -9.441 1.323 -7.478 527 H THR 66 H THR 66 -6.867 -1.704 -8.320 528 HA THR 66 HA THR 66 -5.579 -3.602 -6.473 529 HB THR 66 HB THR 66 -5.186 -3.665 -9.462 530 HG1 THR 66 HG1 THR 66 -6.542 -5.662 -9.168 531 1HG2 THR 66 1HG2 THR 66 -4.577 -6.116 -8.656 532 2HG2 THR 66 2HG2 THR 66 -4.257 -5.275 -7.139 533 3HG2 THR 66 3HG2 THR 66 -3.395 -4.807 -8.605 534 H ILE 67 H ILE 67 -3.644 -3.001 -5.763 535 HA ILE 67 HA ILE 67 -2.292 -0.767 -7.123 536 HB ILE 67 HB ILE 67 -2.003 -1.702 -4.265 537 1HG1 ILE 67 2HG1 ILE 67 -2.943 1.008 -4.635 538 2HG1 ILE 67 1HG1 ILE 67 -4.007 -0.134 -5.452 539 1HG2 ILE 67 1HG2 ILE 67 -0.719 0.553 -5.785 540 2HG2 ILE 67 2HG2 ILE 67 0.071 -0.787 -4.952 541 3HG2 ILE 67 3HG2 ILE 67 -0.751 0.467 -4.023 542 1HD1 ILE 67 1HD1 ILE 67 -3.391 0.136 -2.552 543 2HD1 ILE 67 2HD1 ILE 67 -3.905 -1.422 -3.200 544 3HD1 ILE 67 3HD1 ILE 67 -4.948 -0.009 -3.366 545 H HIS 68 H HIS 68 0.057 -0.798 -7.182 546 HA HIS 68 HA HIS 68 1.151 -3.534 -7.206 547 1HB HIS 68 2HB HIS 68 1.923 -1.294 -9.083 548 2HB HIS 68 1HB HIS 68 2.487 -2.960 -9.140 549 HD1 HIS 68 HD1 HIS 68 1.338 -4.316 -10.845 550 HD2 HIS 68 HD2 HIS 68 -1.094 -1.265 -9.416 551 HE1 HIS 68 HE1 HIS 68 -0.806 -4.500 -12.147 552 HE2 HIS 68 HE2 HIS 68 -2.227 -2.586 -11.329 553 H LEU 69 H LEU 69 3.118 -3.865 -6.298 554 HA LEU 69 HA LEU 69 4.302 -1.585 -4.881 555 1HB LEU 69 2HB LEU 69 3.703 -3.406 -3.437 556 2HB LEU 69 1HB LEU 69 4.528 -4.563 -4.464 557 HG LEU 69 HG LEU 69 6.617 -3.007 -3.857 558 1HD1 LEU 69 1HD1 LEU 69 6.418 -1.731 -2.041 559 2HD1 LEU 69 2HD1 LEU 69 5.521 -2.972 -1.164 560 3HD1 LEU 69 3HD1 LEU 69 4.675 -1.885 -2.266 561 1HD2 LEU 69 1HD2 LEU 69 7.007 -4.610 -1.924 562 2HD2 LEU 69 2HD2 LEU 69 6.712 -5.332 -3.506 563 3HD2 LEU 69 3HD2 LEU 69 5.422 -5.285 -2.303 564 H VAL 70 H VAL 70 6.445 -1.027 -5.116 565 HA VAL 70 HA VAL 70 8.024 -2.549 -7.075 566 HB VAL 70 HB VAL 70 8.310 0.403 -7.118 567 1HG1 VAL 70 1HG1 VAL 70 8.114 -0.853 -9.671 568 2HG1 VAL 70 2HG1 VAL 70 9.172 -1.812 -8.636 569 3HG1 VAL 70 3HG1 VAL 70 9.517 -0.103 -8.906 570 1HG2 VAL 70 1HG2 VAL 70 5.925 -1.053 -8.216 571 2HG2 VAL 70 2HG2 VAL 70 6.484 0.481 -8.881 572 3HG2 VAL 70 3HG2 VAL 70 5.964 0.387 -7.200 573 H LEU 71 H LEU 71 10.251 -2.464 -6.825 574 HA LEU 71 HA LEU 71 11.144 -1.647 -4.168 575 1HB LEU 71 2HB LEU 71 11.790 -3.774 -5.950 576 2HB LEU 71 1HB LEU 71 13.240 -2.818 -5.709 577 HG LEU 71 HG LEU 71 12.810 -4.813 -4.139 578 1HD1 LEU 71 1HD1 LEU 71 13.843 -3.639 -2.266 579 2HD1 LEU 71 2HD1 LEU 71 13.414 -2.090 -2.993 580 3HD1 LEU 71 3HD1 LEU 71 14.568 -3.153 -3.799 581 1HD2 LEU 71 1HD2 LEU 71 11.437 -3.243 -2.194 582 2HD2 LEU 71 2HD2 LEU 71 10.994 -4.811 -2.869 583 3HD2 LEU 71 3HD2 LEU 71 10.461 -3.329 -3.660 584 H ARG 72 H ARG 72 12.107 0.257 -3.893 585 HA ARG 72 HA ARG 72 12.952 1.787 -6.198 586 1HB ARG 72 2HB ARG 72 11.676 2.678 -4.151 587 2HB ARG 72 1HB ARG 72 13.229 2.643 -3.327 588 1HG ARG 72 2HG ARG 72 14.138 4.283 -4.724 589 2HG ARG 72 1HG ARG 72 12.868 4.080 -5.932 590 1HD ARG 72 2HD ARG 72 11.577 4.751 -3.528 591 2HD ARG 72 1HD ARG 72 12.958 5.837 -3.666 592 HE ARG 72 HE ARG 72 11.331 5.581 -6.046 593 1HH1 ARG 72 2HH1 ARG 72 11.961 7.347 -3.112 594 2HH1 ARG 72 1HH1 ARG 72 11.182 8.793 -3.661 595 1HH2 ARG 72 1HH2 ARG 72 10.303 7.480 -6.781 596 2HH2 ARG 72 2HH2 ARG 72 10.238 8.869 -5.748 597 H LEU 73 H LEU 73 15.030 2.546 -6.596 598 HA LEU 73 HA LEU 73 17.240 2.000 -4.885 599 1HB LEU 73 2HB LEU 73 18.377 0.330 -6.147 600 2HB LEU 73 1HB LEU 73 16.767 -0.272 -5.799 601 HG LEU 73 HG LEU 73 16.772 1.083 -8.338 602 1HD1 LEU 73 1HD1 LEU 73 18.948 0.628 -8.852 603 2HD1 LEU 73 2HD1 LEU 73 18.198 -0.887 -9.355 604 3HD1 LEU 73 3HD1 LEU 73 19.019 -0.784 -7.797 605 1HD2 LEU 73 1HD2 LEU 73 15.217 -0.469 -8.612 606 2HD2 LEU 73 2HD2 LEU 73 15.683 -1.216 -7.083 607 3HD2 LEU 73 3HD2 LEU 73 16.457 -1.723 -8.584 608 H ARG 74 H ARG 74 19.330 2.009 -6.625 609 HA ARG 74 HA ARG 74 20.523 3.248 -8.138 610 1HB ARG 74 2HB ARG 74 18.325 3.145 -9.478 611 2HB ARG 74 1HB ARG 74 18.026 4.764 -8.861 612 1HG ARG 74 2HG ARG 74 20.465 5.176 -9.802 613 2HG ARG 74 1HG ARG 74 20.015 3.825 -10.845 614 1HD ARG 74 2HD ARG 74 17.860 5.138 -11.288 615 2HD ARG 74 1HD ARG 74 18.705 6.513 -10.582 616 HE ARG 74 HE ARG 74 20.096 5.152 -12.729 617 1HH1 ARG 74 2HH1 ARG 74 17.973 7.754 -11.807 618 2HH1 ARG 74 1HH1 ARG 74 18.304 8.699 -13.220 619 1HH2 ARG 74 1HH2 ARG 74 20.539 6.387 -14.593 620 2HH2 ARG 74 2HH2 ARG 74 19.764 7.922 -14.805 621 H GLY 75 H GLY 75 21.799 4.413 -6.811 622 1HA GLY 75 2HA GLY 75 21.065 7.165 -6.309 623 2HA GLY 75 1HA GLY 75 21.224 6.186 -4.858 624 H GLY 76 HN GLY 76 23.356 4.708 -5.091 625 1HA GLY 76 2HA GLY 76 25.651 4.995 -6.172 626 2HA GLY 76 1HA GLY 76 25.519 6.650 -5.594 Start of MODEL 17 1 2H MET 1 2H MET 1 -12.006 -2.189 2.961 2 3H MET 1 3H MET 1 -13.446 -2.955 3.409 3 1H MET 1 1H MET 1 -13.494 -1.486 2.570 4 HA MET 1 HA MET 1 -13.820 -3.820 1.394 5 1HB MET 1 2HB MET 1 -13.141 -2.701 -0.713 6 2HB MET 1 1HB MET 1 -14.156 -1.686 0.304 7 1HG MET 1 2HG MET 1 -11.749 -0.895 1.162 8 2HG MET 1 1HG MET 1 -11.335 -1.364 -0.486 9 1HE MET 1 1HE MET 1 -10.619 1.363 0.002 10 2HE MET 1 2HE MET 1 -11.516 2.407 -1.102 11 3HE MET 1 3HE MET 1 -10.807 0.903 -1.691 12 H GLN 2 H GLN 2 -12.619 -5.173 -0.054 13 HA GLN 2 HA GLN 2 -9.894 -5.636 0.915 14 1HB GLN 2 2HB GLN 2 -11.676 -7.458 0.908 15 2HB GLN 2 1HB GLN 2 -11.515 -7.472 -0.842 16 1HG GLN 2 2HG GLN 2 -9.164 -8.059 -0.636 17 2HG GLN 2 1HG GLN 2 -9.299 -8.013 1.121 18 1HE2 GLN 2 1HE2 GLN 2 -10.030 -9.760 2.182 19 2HE2 GLN 2 2HE2 GLN 2 -10.554 -11.221 1.422 20 H VAL 3 H VAL 3 -8.204 -5.101 -0.259 21 HA VAL 3 HA VAL 3 -8.572 -4.594 -3.138 22 HB VAL 3 HB VAL 3 -6.307 -3.328 -2.776 23 1HG1 VAL 3 1HG1 VAL 3 -7.723 -1.713 -3.349 24 2HG1 VAL 3 2HG1 VAL 3 -8.076 -1.488 -1.636 25 3HG1 VAL 3 3HG1 VAL 3 -9.078 -2.566 -2.608 26 1HG2 VAL 3 1HG2 VAL 3 -5.931 -4.032 -0.488 27 2HG2 VAL 3 2HG2 VAL 3 -7.472 -3.332 0.007 28 3HG2 VAL 3 3HG2 VAL 3 -6.165 -2.285 -0.548 29 H PHE 4 H PHE 4 -6.584 -4.966 -4.477 30 HA PHE 4 HA PHE 4 -5.151 -7.363 -3.536 31 1HB PHE 4 2HB PHE 4 -5.782 -6.756 -6.423 32 2HB PHE 4 1HB PHE 4 -5.210 -8.272 -5.735 33 HD1 PHE 4 HD1 PHE 4 -8.010 -6.565 -6.937 34 HD2 PHE 4 HD2 PHE 4 -6.814 -9.298 -3.890 35 HE1 PHE 4 HE1 PHE 4 -10.342 -7.336 -6.718 36 HE2 PHE 4 HE2 PHE 4 -9.143 -10.075 -3.666 37 HZ PHE 4 HZ PHE 4 -10.909 -9.094 -5.082 38 H LEU 5 H LEU 5 -3.009 -7.221 -3.466 39 HA LEU 5 HA LEU 5 -1.703 -5.058 -4.985 40 1HB LEU 5 2HB LEU 5 -1.726 -4.764 -2.500 41 2HB LEU 5 1HB LEU 5 -0.787 -6.238 -2.364 42 HG LEU 5 HG LEU 5 0.750 -4.801 -4.095 43 1HD1 LEU 5 1HD1 LEU 5 -0.675 -2.878 -2.282 44 2HD1 LEU 5 2HD1 LEU 5 -0.444 -2.782 -4.028 45 3HD1 LEU 5 3HD1 LEU 5 0.925 -2.543 -2.943 46 1HD2 LEU 5 1HD2 LEU 5 0.819 -5.637 -1.354 47 2HD2 LEU 5 2HD2 LEU 5 1.611 -4.071 -1.526 48 3HD2 LEU 5 3HD2 LEU 5 2.149 -5.442 -2.496 49 H LYS 6 H LYS 6 0.071 -5.544 -6.185 50 HA LYS 6 HA LYS 6 0.832 -8.385 -6.287 51 1HB LYS 6 2HB LYS 6 0.286 -6.384 -8.343 52 2HB LYS 6 1HB LYS 6 1.808 -7.227 -8.599 53 1HG LYS 6 2HG LYS 6 0.320 -9.349 -8.130 54 2HG LYS 6 1HG LYS 6 -0.972 -8.267 -8.654 55 1HD LYS 6 2HD LYS 6 1.543 -8.841 -10.217 56 2HD LYS 6 1HD LYS 6 -0.022 -9.601 -10.506 57 1HE LYS 6 2HE LYS 6 -0.708 -6.981 -10.544 58 2HE LYS 6 1HE LYS 6 0.933 -6.903 -11.187 59 1HZ LYS 6 1HZ LYS 6 -1.429 -8.267 -12.298 60 2HZ LYS 6 2HZ LYS 6 0.122 -8.810 -12.697 61 3HZ LYS 6 3HZ LYS 6 -0.338 -7.225 -13.064 62 H THR 7 H THR 7 2.969 -8.981 -6.290 63 HA THR 7 HA THR 7 4.840 -6.924 -5.359 64 HB THR 7 HB THR 7 6.075 -8.579 -4.291 65 HG1 THR 7 HG1 THR 7 4.812 -10.465 -6.018 66 1HG2 THR 7 1HG2 THR 7 3.318 -9.801 -4.249 67 2HG2 THR 7 2HG2 THR 7 3.744 -8.330 -3.375 68 3HG2 THR 7 3HG2 THR 7 4.541 -9.853 -2.979 69 H LEU 8 H LEU 8 7.250 -7.790 -5.952 70 HA LEU 8 HA LEU 8 7.504 -7.263 -8.738 71 1HB LEU 8 2HB LEU 8 9.605 -8.220 -6.794 72 2HB LEU 8 1HB LEU 8 9.901 -7.501 -8.366 73 HG LEU 8 HG LEU 8 8.565 -6.061 -6.074 74 1HD1 LEU 8 1HD1 LEU 8 10.564 -5.225 -5.395 75 2HD1 LEU 8 2HD1 LEU 8 11.292 -5.360 -6.995 76 3HD1 LEU 8 3HD1 LEU 8 11.117 -6.794 -5.983 77 1HD2 LEU 8 1HD2 LEU 8 9.835 -4.465 -8.125 78 2HD2 LEU 8 2HD2 LEU 8 8.192 -4.385 -7.489 79 3HD2 LEU 8 3HD2 LEU 8 8.579 -5.506 -8.793 80 H THR 9 H THR 9 6.838 -10.076 -7.051 81 HA THR 9 HA THR 9 8.107 -11.811 -9.046 82 HB THR 9 HB THR 9 7.747 -13.643 -7.580 83 HG1 THR 9 HG1 THR 9 6.092 -11.886 -6.059 84 1HG2 THR 9 1HG2 THR 9 8.513 -11.209 -5.967 85 2HG2 THR 9 2HG2 THR 9 9.598 -12.255 -6.884 86 3HG2 THR 9 3HG2 THR 9 8.774 -12.876 -5.453 87 H GLY 10 H GLY 10 5.035 -10.586 -8.029 88 1HA GLY 10 2HA GLY 10 3.343 -10.677 -9.867 89 2HA GLY 10 1HA GLY 10 3.705 -12.395 -9.952 90 H LYS 11 H LYS 11 3.671 -13.279 -7.456 91 HA LYS 11 HA LYS 11 1.366 -14.075 -6.668 92 1HB LYS 11 2HB LYS 11 3.313 -14.380 -5.261 93 2HB LYS 11 1HB LYS 11 3.255 -12.696 -4.760 94 1HG LYS 11 2HG LYS 11 0.932 -13.237 -3.842 95 2HG LYS 11 1HG LYS 11 1.394 -14.929 -4.037 96 1HD LYS 11 2HD LYS 11 3.371 -14.529 -2.623 97 2HD LYS 11 1HD LYS 11 2.851 -12.859 -2.394 98 1HE LYS 11 2HE LYS 11 1.045 -13.465 -1.082 99 2HE LYS 11 1HE LYS 11 0.987 -15.100 -1.738 100 1HZ LYS 11 1HZ LYS 11 3.339 -15.209 -0.590 101 2HZ LYS 11 2HZ LYS 11 1.918 -15.526 0.270 102 3HZ LYS 11 3HZ LYS 11 2.661 -14.011 0.394 103 H THR 12 H THR 12 -0.565 -13.499 -5.857 104 HA THR 12 HA THR 12 -1.139 -10.616 -5.736 105 HB THR 12 HB THR 12 -3.137 -12.864 -6.020 106 HG1 THR 12 HG1 THR 12 -1.937 -11.212 -8.012 107 1HG2 THR 12 1HG2 THR 12 -3.303 -9.868 -6.218 108 2HG2 THR 12 2HG2 THR 12 -4.255 -10.957 -5.209 109 3HG2 THR 12 3HG2 THR 12 -4.511 -10.920 -6.954 110 H VAL 13 H VAL 13 -1.587 -9.707 -3.841 111 HA VAL 13 HA VAL 13 -2.198 -11.463 -1.559 112 HB VAL 13 HB VAL 13 -1.562 -9.245 -0.284 113 1HG1 VAL 13 1HG1 VAL 13 0.306 -10.344 0.311 114 2HG1 VAL 13 2HG1 VAL 13 0.869 -10.498 -1.353 115 3HG1 VAL 13 3HG1 VAL 13 -0.333 -11.623 -0.721 116 1HG2 VAL 13 1HG2 VAL 13 -1.337 -8.072 -2.556 117 2HG2 VAL 13 2HG2 VAL 13 0.199 -8.927 -2.691 118 3HG2 VAL 13 3HG2 VAL 13 -0.071 -7.805 -1.357 119 H THR 14 H THR 14 -3.807 -10.855 -0.063 120 HA THR 14 HA THR 14 -5.797 -8.970 -1.149 121 HB THR 14 HB THR 14 -7.266 -10.451 0.569 122 HG1 THR 14 HG1 THR 14 -6.539 -12.699 -0.052 123 1HG2 THR 14 1HG2 THR 14 -8.379 -11.085 -1.293 124 2HG2 THR 14 2HG2 THR 14 -6.932 -11.740 -2.060 125 3HG2 THR 14 3HG2 THR 14 -7.244 -10.004 -2.103 126 H ILE 15 H ILE 15 -5.357 -7.112 -0.072 127 HA ILE 15 HA ILE 15 -5.142 -7.233 2.859 128 HB ILE 15 HB ILE 15 -4.452 -4.901 1.073 129 1HG1 ILE 15 2HG1 ILE 15 -2.669 -7.043 2.252 130 2HG1 ILE 15 1HG1 ILE 15 -2.977 -6.759 0.542 131 1HG2 ILE 15 1HG2 ILE 15 -4.988 -4.821 3.693 132 2HG2 ILE 15 2HG2 ILE 15 -3.790 -3.780 2.924 133 3HG2 ILE 15 3HG2 ILE 15 -3.277 -5.244 3.762 134 1HD1 ILE 15 1HD1 ILE 15 -0.813 -5.861 1.804 135 2HD1 ILE 15 2HD1 ILE 15 -1.887 -4.489 2.076 136 3HD1 ILE 15 3HD1 ILE 15 -1.541 -5.027 0.431 137 H GLU 16 H GLU 16 -6.463 -5.992 4.164 138 HA GLU 16 HA GLU 16 -8.878 -4.962 2.851 139 1HB GLU 16 2HB GLU 16 -8.622 -5.465 5.801 140 2HB GLU 16 1HB GLU 16 -10.075 -5.432 4.812 141 1HG GLU 16 2HG GLU 16 -8.186 -7.495 4.004 142 2HG GLU 16 1HG GLU 16 -8.756 -7.676 5.664 143 H VAL 17 H VAL 17 -9.357 -2.864 2.886 144 HA VAL 17 HA VAL 17 -8.158 -1.136 4.911 145 HB VAL 17 HB VAL 17 -7.189 0.393 3.458 146 1HG1 VAL 17 1HG1 VAL 17 -5.681 -1.356 3.443 147 2HG1 VAL 17 2HG1 VAL 17 -5.920 -1.059 1.722 148 3HG1 VAL 17 3HG1 VAL 17 -6.745 -2.405 2.507 149 1HG2 VAL 17 1HG2 VAL 17 -9.242 -0.498 1.619 150 2HG2 VAL 17 2HG2 VAL 17 -7.677 -0.329 0.824 151 3HG2 VAL 17 3HG2 VAL 17 -8.379 1.038 1.688 152 H GLU 18 H GLU 18 -9.103 1.166 4.675 153 HA GLU 18 HA GLU 18 -11.872 1.054 3.708 154 1HB GLU 18 2HB GLU 18 -10.922 1.590 6.483 155 2HB GLU 18 1HB GLU 18 -12.301 2.506 5.890 156 1HG GLU 18 2HG GLU 18 -13.676 0.771 6.096 157 2HG GLU 18 1HG GLU 18 -12.530 -0.337 5.342 158 HA PRO 19 HA PRO 19 -10.974 4.924 1.797 159 1HB PRO 19 2HB PRO 19 -13.498 6.057 2.067 160 2HB PRO 19 1HB PRO 19 -12.996 4.985 0.757 161 1HG PRO 19 2HG PRO 19 -14.526 4.358 3.243 162 2HG PRO 19 1HG PRO 19 -14.739 3.719 1.602 163 1HD PRO 19 2HD PRO 19 -13.538 2.279 3.517 164 2HD PRO 19 1HD PRO 19 -12.988 2.212 1.829 165 H SER 20 H SER 20 -9.581 5.717 3.405 166 HA SER 20 HA SER 20 -9.860 8.128 4.443 167 1HB SER 20 2HB SER 20 -10.532 7.569 6.937 168 2HB SER 20 1HB SER 20 -11.766 7.903 5.724 169 HG SER 20 HG SER 20 -11.607 5.783 7.195 170 H ASP 21 H ASP 21 -8.459 5.082 4.588 171 HA ASP 21 HA ASP 21 -6.717 5.447 6.810 172 1HB ASP 21 2HB ASP 21 -6.847 3.537 4.499 173 2HB ASP 21 1HB ASP 21 -5.411 3.582 5.518 174 H THR 22 H THR 22 -4.365 5.684 6.650 175 HA THR 22 HA THR 22 -3.679 7.707 4.664 176 HB THR 22 HB THR 22 -1.741 8.192 6.036 177 HG1 THR 22 HG1 THR 22 -1.881 6.835 8.175 178 1HG2 THR 22 1HG2 THR 22 -3.679 7.885 8.220 179 2HG2 THR 22 2HG2 THR 22 -4.324 8.659 6.772 180 3HG2 THR 22 3HG2 THR 22 -2.911 9.338 7.581 181 H VAL 23 H VAL 23 -2.073 7.498 3.164 182 HA VAL 23 HA VAL 23 -1.512 5.137 1.954 183 HB VAL 23 HB VAL 23 0.340 7.515 2.156 184 1HG1 VAL 23 1HG1 VAL 23 0.517 4.974 0.635 185 2HG1 VAL 23 2HG1 VAL 23 1.796 5.991 1.301 186 3HG1 VAL 23 3HG1 VAL 23 0.987 6.459 -0.194 187 1HG2 VAL 23 1HG2 VAL 23 -0.691 7.648 -0.309 188 2HG2 VAL 23 2HG2 VAL 23 -1.443 8.422 1.087 189 3HG2 VAL 23 3HG2 VAL 23 -2.036 6.862 0.518 190 H GLU 24 H GLU 24 0.300 6.590 4.622 191 HA GLU 24 HA GLU 24 2.456 4.831 4.699 192 1HB GLU 24 2HB GLU 24 2.305 6.906 6.028 193 2HB GLU 24 1HB GLU 24 1.078 6.157 7.040 194 1HG GLU 24 2HG GLU 24 3.483 4.549 6.863 195 2HG GLU 24 1HG GLU 24 3.799 6.169 7.486 196 H ASN 25 H ASN 25 -0.546 4.667 6.622 197 HA ASN 25 HA ASN 25 -0.116 2.278 7.910 198 1HB ASN 25 2HB ASN 25 -2.411 3.931 7.271 199 2HB ASN 25 1HB ASN 25 -2.835 2.222 7.243 200 1HD2 ASN 25 1HD2 ASN 25 -3.626 4.314 9.109 201 2HD2 ASN 25 2HD2 ASN 25 -3.132 3.772 10.673 202 H PHE 26 H PHE 26 -1.435 2.791 4.663 203 HA PHE 26 HA PHE 26 -2.121 0.177 4.035 204 1HB PHE 26 2HB PHE 26 -2.649 2.143 2.623 205 2HB PHE 26 1HB PHE 26 -0.953 2.246 2.161 206 HD1 PHE 26 HD1 PHE 26 -2.289 -1.075 2.587 207 HD2 PHE 26 HD2 PHE 26 -1.764 2.113 -0.195 208 HE1 PHE 26 HE1 PHE 26 -2.704 -2.637 0.725 209 HE2 PHE 26 HE2 PHE 26 -2.179 0.558 -2.062 210 HZ PHE 26 HZ PHE 26 -2.650 -1.821 -1.602 211 H LYS 27 H LYS 27 0.958 1.837 3.348 212 HA LYS 27 HA LYS 27 2.302 -0.381 2.300 213 1HB LYS 27 2HB LYS 27 3.538 1.913 3.832 214 2HB LYS 27 1HB LYS 27 4.344 0.868 2.670 215 1HG LYS 27 2HG LYS 27 3.085 1.779 0.864 216 2HG LYS 27 1HG LYS 27 2.038 2.669 1.972 217 1HD LYS 27 2HD LYS 27 3.417 4.399 1.693 218 2HD LYS 27 1HD LYS 27 4.588 3.497 2.657 219 1HE LYS 27 2HE LYS 27 5.890 3.786 0.835 220 2HE LYS 27 1HE LYS 27 5.010 2.373 0.253 221 1HZ LYS 27 1HZ LYS 27 4.466 3.641 -1.473 222 2HZ LYS 27 2HZ LYS 27 4.969 5.067 -0.714 223 3HZ LYS 27 3HZ LYS 27 3.414 4.465 -0.435 224 H ALA 28 H ALA 28 1.599 0.540 5.567 225 HA ALA 28 HA ALA 28 3.569 -1.032 6.867 226 1HB ALA 28 1HB ALA 28 2.480 -0.511 8.862 227 2HB ALA 28 2HB ALA 28 0.907 -0.372 8.079 228 3HB ALA 28 3HB ALA 28 2.131 0.872 7.826 229 H LYS 29 H LYS 29 0.237 -1.648 5.865 230 HA LYS 29 HA LYS 29 0.035 -4.214 7.060 231 1HB LYS 29 2HB LYS 29 -1.495 -3.003 4.751 232 2HB LYS 29 1HB LYS 29 -1.930 -4.497 5.569 233 1HG LYS 29 2HG LYS 29 -2.583 -3.404 7.501 234 2HG LYS 29 1HG LYS 29 -1.640 -1.960 7.122 235 1HD LYS 29 2HD LYS 29 -3.219 -1.691 5.120 236 2HD LYS 29 1HD LYS 29 -4.251 -2.862 5.945 237 1HE LYS 29 2HE LYS 29 -3.745 -1.163 7.972 238 2HE LYS 29 1HE LYS 29 -3.662 -0.049 6.607 239 1HZ LYS 29 1HZ LYS 29 -5.854 -0.135 6.328 240 2HZ LYS 29 2HZ LYS 29 -5.931 -0.848 7.860 241 3HZ LYS 29 3HZ LYS 29 -5.913 -1.820 6.476 242 H ILE 30 H ILE 30 0.953 -3.087 3.838 243 HA ILE 30 HA ILE 30 1.148 -5.610 2.607 244 HB ILE 30 HB ILE 30 2.551 -3.008 2.005 245 1HG1 ILE 30 2HG1 ILE 30 0.547 -4.269 0.203 246 2HG1 ILE 30 1HG1 ILE 30 -0.051 -3.566 1.703 247 1HG2 ILE 30 1HG2 ILE 30 2.982 -4.120 -0.248 248 2HG2 ILE 30 2HG2 ILE 30 2.672 -5.647 0.579 249 3HG2 ILE 30 3HG2 ILE 30 4.001 -4.614 1.103 250 1HD1 ILE 30 1HD1 ILE 30 0.136 -1.504 0.909 251 2HD1 ILE 30 2HD1 ILE 30 0.392 -2.243 -0.672 252 3HD1 ILE 30 3HD1 ILE 30 1.775 -1.793 0.325 253 H GLN 31 H GLN 31 3.398 -3.749 4.560 254 HA GLN 31 HA GLN 31 5.734 -5.208 4.032 255 1HB GLN 31 2HB GLN 31 6.072 -3.190 5.155 256 2HB GLN 31 1HB GLN 31 4.813 -3.525 6.336 257 1HG GLN 31 2HG GLN 31 6.894 -5.502 6.492 258 2HG GLN 31 1HG GLN 31 7.562 -3.875 6.633 259 1HE2 GLN 31 1HE2 GLN 31 7.258 -6.042 8.612 260 2HE2 GLN 31 2HE2 GLN 31 6.380 -5.345 9.927 261 H ASP 32 H ASP 32 3.169 -5.699 6.411 262 HA ASP 32 HA ASP 32 4.428 -7.887 7.721 263 1HB ASP 32 2HB ASP 32 2.462 -8.094 8.975 264 2HB ASP 32 1HB ASP 32 2.505 -6.380 8.569 265 H LYS 33 H LYS 33 2.925 -7.593 4.711 266 HA LYS 33 HA LYS 33 2.285 -10.459 4.597 267 1HB LYS 33 2HB LYS 33 1.299 -8.056 3.153 268 2HB LYS 33 1HB LYS 33 1.362 -9.563 2.252 269 1HG LYS 33 2HG LYS 33 -0.093 -10.635 3.828 270 2HG LYS 33 1HG LYS 33 -0.045 -9.227 4.891 271 1HD LYS 33 2HD LYS 33 -1.476 -8.025 3.591 272 2HD LYS 33 1HD LYS 33 -0.925 -8.784 2.096 273 1HE LYS 33 2HE LYS 33 -3.229 -9.416 2.637 274 2HE LYS 33 1HE LYS 33 -2.149 -10.810 2.648 275 1HZ LYS 33 1HZ LYS 33 -2.668 -9.385 5.164 276 2HZ LYS 33 2HZ LYS 33 -2.288 -11.014 4.911 277 3HZ LYS 33 3HZ LYS 33 -3.844 -10.446 4.567 278 H GLU 34 H GLU 34 4.169 -7.929 3.025 279 HA GLU 34 HA GLU 34 5.426 -9.924 1.287 280 1HB GLU 34 2HB GLU 34 5.116 -6.967 1.199 281 2HB GLU 34 1HB GLU 34 6.559 -7.652 0.463 282 1HG GLU 34 2HG GLU 34 4.724 -7.313 -1.137 283 2HG GLU 34 1HG GLU 34 5.229 -8.998 -1.016 284 H GLY 35 H GLY 35 5.957 -8.265 4.195 285 1HA GLY 35 2HA GLY 35 7.735 -8.349 5.657 286 2HA GLY 35 1HA GLY 35 8.516 -9.471 4.553 287 H ILE 36 H ILE 36 7.487 -6.425 3.308 288 HA ILE 36 HA ILE 36 10.298 -5.543 3.233 289 HB ILE 36 HB ILE 36 8.074 -4.835 1.315 290 1HG1 ILE 36 2HG1 ILE 36 10.414 -6.734 1.073 291 2HG1 ILE 36 1HG1 ILE 36 8.701 -7.138 0.991 292 1HG2 ILE 36 1HG2 ILE 36 9.722 -3.695 0.022 293 2HG2 ILE 36 2HG2 ILE 36 11.018 -4.256 1.078 294 3HG2 ILE 36 3HG2 ILE 36 9.833 -3.096 1.678 295 1HD1 ILE 36 1HD1 ILE 36 10.477 -6.393 -1.105 296 2HD1 ILE 36 2HD1 ILE 36 9.172 -5.211 -0.999 297 3HD1 ILE 36 3HD1 ILE 36 8.798 -6.922 -1.201 298 HA PRO 37 HA PRO 37 9.094 -2.104 5.752 299 1HB PRO 37 2HB PRO 37 11.219 -0.485 5.222 300 2HB PRO 37 1HB PRO 37 11.308 -1.878 6.305 301 1HG PRO 37 2HG PRO 37 12.144 -1.647 3.438 302 2HG PRO 37 1HG PRO 37 12.979 -2.440 4.787 303 1HD PRO 37 2HD PRO 37 11.550 -3.825 2.962 304 2HD PRO 37 1HD PRO 37 11.660 -4.329 4.660 305 HA PRO 38 HA PRO 38 6.990 0.744 3.123 306 1HB PRO 38 2HB PRO 38 7.056 2.983 4.713 307 2HB PRO 38 1HB PRO 38 5.931 1.639 4.937 308 1HG PRO 38 2HG PRO 38 8.499 2.221 6.357 309 2HG PRO 38 1HG PRO 38 6.961 1.633 7.017 310 1HD PRO 38 2HD PRO 38 9.038 -0.019 6.576 311 2HD PRO 38 1HD PRO 38 7.358 -0.545 6.339 312 H ASP 39 H ASP 39 10.056 1.747 4.557 313 HA ASP 39 HA ASP 39 10.520 4.006 2.957 314 1HB ASP 39 2HB ASP 39 11.807 3.479 5.001 315 2HB ASP 39 1HB ASP 39 12.558 2.123 4.166 316 H GLN 40 H GLN 40 10.748 0.627 2.284 317 HA GLN 40 HA GLN 40 12.075 1.204 -0.281 318 1HB GLN 40 2HB GLN 40 11.862 -1.408 1.228 319 2HB GLN 40 1HB GLN 40 12.635 -1.206 -0.339 320 1HG GLN 40 2HG GLN 40 14.175 0.452 0.764 321 2HG GLN 40 1HG GLN 40 13.504 -0.080 2.305 322 1HE2 GLN 40 1HE2 GLN 40 16.083 -0.384 2.134 323 2HE2 GLN 40 2HE2 GLN 40 16.543 -2.023 1.835 324 H GLN 41 H GLN 41 9.123 1.207 0.718 325 HA GLN 41 HA GLN 41 7.999 -0.655 -1.246 326 1HB GLN 41 2HB GLN 41 6.921 0.746 1.166 327 2HB GLN 41 1HB GLN 41 5.806 0.249 -0.100 328 1HG GLN 41 2HG GLN 41 6.887 -2.063 0.130 329 2HG GLN 41 1HG GLN 41 7.537 -1.452 1.650 330 1HE2 GLN 41 1HE2 GLN 41 6.301 -3.122 2.669 331 2HE2 GLN 41 2HE2 GLN 41 4.616 -2.891 2.971 332 H ARG 42 H ARG 42 6.820 0.001 -2.987 333 HA ARG 42 HA ARG 42 6.376 2.879 -3.356 334 1HB ARG 42 2HB ARG 42 8.493 2.027 -4.521 335 2HB ARG 42 1HB ARG 42 7.412 1.134 -5.584 336 1HG ARG 42 2HG ARG 42 6.606 3.037 -6.590 337 2HG ARG 42 1HG ARG 42 7.005 4.063 -5.210 338 1HD ARG 42 2HD ARG 42 9.222 4.239 -5.809 339 2HD ARG 42 1HD ARG 42 9.204 2.730 -6.720 340 HE ARG 42 HE ARG 42 8.468 5.356 -7.678 341 1HH1 ARG 42 2HH1 ARG 42 8.293 1.916 -8.194 342 2HH1 ARG 42 1HH1 ARG 42 7.979 2.056 -9.891 343 1HH2 ARG 42 1HH2 ARG 42 8.054 5.551 -9.911 344 2HH2 ARG 42 2HH2 ARG 42 7.843 4.123 -10.868 345 H LEU 43 H LEU 43 4.224 3.036 -3.469 346 HA LEU 43 HA LEU 43 2.708 0.937 -4.839 347 1HB LEU 43 2HB LEU 43 1.569 3.231 -3.261 348 2HB LEU 43 1HB LEU 43 0.784 1.724 -3.696 349 HG LEU 43 HG LEU 43 2.922 2.159 -1.624 350 1HD1 LEU 43 1HD1 LEU 43 0.038 1.744 -1.630 351 2HD1 LEU 43 2HD1 LEU 43 1.093 2.379 -0.366 352 3HD1 LEU 43 3HD1 LEU 43 0.903 0.637 -0.565 353 1HD2 LEU 43 1HD2 LEU 43 3.718 0.169 -2.360 354 2HD2 LEU 43 2HD2 LEU 43 2.194 -0.285 -3.122 355 3HD2 LEU 43 3HD2 LEU 43 2.390 -0.446 -1.376 356 H ILE 44 H ILE 44 2.075 1.230 -6.852 357 HA ILE 44 HA ILE 44 1.684 3.984 -7.833 358 HB ILE 44 HB ILE 44 2.499 1.654 -9.561 359 1HG1 ILE 44 2HG1 ILE 44 4.154 2.390 -7.677 360 2HG1 ILE 44 1HG1 ILE 44 4.751 2.174 -9.320 361 1HG2 ILE 44 1HG2 ILE 44 2.600 4.633 -10.007 362 2HG2 ILE 44 2HG2 ILE 44 1.410 3.525 -10.691 363 3HG2 ILE 44 3HG2 ILE 44 3.106 3.393 -11.155 364 1HD1 ILE 44 1HD1 ILE 44 3.971 4.814 -8.111 365 2HD1 ILE 44 2HD1 ILE 44 4.700 4.548 -9.695 366 3HD1 ILE 44 3HD1 ILE 44 5.619 4.197 -8.232 367 H PHE 45 H PHE 45 -0.404 4.376 -8.153 368 HA PHE 45 HA PHE 45 -2.052 2.273 -9.383 369 1HB PHE 45 2HB PHE 45 -2.649 2.302 -7.040 370 2HB PHE 45 1HB PHE 45 -2.829 4.054 -7.067 371 HD1 PHE 45 HD1 PHE 45 -4.194 0.976 -8.664 372 HD2 PHE 45 HD2 PHE 45 -4.920 4.978 -7.385 373 HE1 PHE 45 HE1 PHE 45 -6.580 0.719 -9.227 374 HE2 PHE 45 HE2 PHE 45 -7.307 4.728 -7.946 375 HZ PHE 45 HZ PHE 45 -8.139 2.597 -8.867 376 H ALA 46 H ALA 46 -3.244 2.915 -11.072 377 HA ALA 46 HA ALA 46 -3.997 4.236 -12.770 378 1HB ALA 46 1HB ALA 46 -5.633 5.632 -12.116 379 2HB ALA 46 2HB ALA 46 -4.568 6.541 -11.043 380 3HB ALA 46 3HB ALA 46 -5.263 5.013 -10.505 381 H GLY 47 H GLY 47 -1.245 4.326 -12.482 382 1HA GLY 47 2HA GLY 47 0.573 5.527 -13.201 383 2HA GLY 47 1HA GLY 47 -0.577 6.617 -13.962 384 H LYS 48 H LYS 48 -0.985 6.232 -10.600 385 HA LYS 48 HA LYS 48 0.487 8.734 -10.098 386 1HB LYS 48 2HB LYS 48 -1.892 8.142 -8.432 387 2HB LYS 48 1HB LYS 48 -1.281 9.685 -9.014 388 1HG LYS 48 2HG LYS 48 -2.093 8.916 -11.319 389 2HG LYS 48 1HG LYS 48 -3.009 7.695 -10.435 390 1HD LYS 48 2HD LYS 48 -3.233 10.467 -9.441 391 2HD LYS 48 1HD LYS 48 -3.966 10.141 -11.014 392 1HE LYS 48 2HE LYS 48 -5.129 8.183 -9.943 393 2HE LYS 48 1HE LYS 48 -4.551 8.784 -8.390 394 1HZ LYS 48 1HZ LYS 48 -6.609 9.745 -8.520 395 2HZ LYS 48 2HZ LYS 48 -6.553 9.944 -10.199 396 3HZ LYS 48 3HZ LYS 48 -5.662 10.974 -9.196 397 H GLN 49 H GLN 49 1.736 8.820 -8.302 398 HA GLN 49 HA GLN 49 2.135 6.329 -6.861 399 1HB GLN 49 2HB GLN 49 4.035 7.715 -7.773 400 2HB GLN 49 1HB GLN 49 3.654 8.920 -6.552 401 1HG GLN 49 2HG GLN 49 4.088 7.276 -4.796 402 2HG GLN 49 1HG GLN 49 4.483 6.075 -6.025 403 1HE2 GLN 49 1HE2 GLN 49 6.014 7.484 -3.813 404 2HE2 GLN 49 2HE2 GLN 49 7.455 8.033 -4.591 405 H LEU 50 H LEU 50 1.831 6.029 -4.685 406 HA LEU 50 HA LEU 50 -0.006 7.868 -3.403 407 1HB LEU 50 2HB LEU 50 1.119 5.331 -2.238 408 2HB LEU 50 1HB LEU 50 -0.354 6.162 -1.781 409 HG LEU 50 HG LEU 50 0.151 4.570 -4.288 410 1HD1 LEU 50 1HD1 LEU 50 -1.028 2.944 -3.320 411 2HD1 LEU 50 2HD1 LEU 50 -2.247 4.069 -2.721 412 3HD1 LEU 50 3HD1 LEU 50 -0.762 3.811 -1.807 413 1HD2 LEU 50 1HD2 LEU 50 -2.124 6.422 -3.618 414 2HD2 LEU 50 2HD2 LEU 50 -2.221 5.165 -4.852 415 3HD2 LEU 50 3HD2 LEU 50 -1.056 6.480 -5.021 416 H GLU 51 H GLU 51 0.530 9.346 -1.929 417 HA GLU 51 HA GLU 51 3.291 9.388 -0.951 418 1HB GLU 51 2HB GLU 51 1.160 11.500 -1.192 419 2HB GLU 51 1HB GLU 51 2.602 11.754 -0.221 420 1HG GLU 51 2HG GLU 51 3.812 12.243 -2.007 421 2HG GLU 51 1HG GLU 51 3.295 10.775 -2.835 422 H ASP 52 H ASP 52 3.790 9.638 1.238 423 HA ASP 52 HA ASP 52 2.036 8.304 3.036 424 1HB ASP 52 2HB ASP 52 4.703 9.654 3.314 425 2HB ASP 52 1HB ASP 52 3.828 9.105 4.741 426 H GLY 53 H GLY 53 1.864 11.380 1.903 427 1HA GLY 53 2HA GLY 53 0.967 12.518 4.462 428 2HA GLY 53 1HA GLY 53 1.352 13.438 3.014 429 H ARG 54 H ARG 54 -0.217 11.180 1.563 430 HA ARG 54 HA ARG 54 -2.834 12.469 1.921 431 1HB ARG 54 2HB ARG 54 -1.905 10.788 -0.409 432 2HB ARG 54 1HB ARG 54 -3.356 11.777 -0.327 433 1HG ARG 54 2HG ARG 54 -0.648 13.011 -0.018 434 2HG ARG 54 1HG ARG 54 -1.312 12.663 -1.615 435 1HD ARG 54 2HD ARG 54 -2.494 14.538 -1.529 436 2HD ARG 54 1HD ARG 54 -3.341 13.933 -0.106 437 HE ARG 54 HE ARG 54 -0.783 15.043 0.528 438 1HH1 ARG 54 2HH1 ARG 54 -4.114 15.817 -0.126 439 2HH1 ARG 54 1HH1 ARG 54 -4.079 17.302 0.763 440 1HH2 ARG 54 1HH2 ARG 54 -0.724 16.998 1.700 441 2HH2 ARG 54 2HH2 ARG 54 -2.150 17.976 1.800 442 H THR 55 H THR 55 -4.660 10.848 1.107 443 HA THR 55 HA THR 55 -4.284 8.318 2.572 444 HB THR 55 HB THR 55 -6.636 8.417 3.257 445 HG1 THR 55 HG1 THR 55 -7.409 9.742 1.537 446 1HG2 THR 55 1HG2 THR 55 -4.681 9.564 4.538 447 2HG2 THR 55 2HG2 THR 55 -6.343 9.881 5.034 448 3HG2 THR 55 3HG2 THR 55 -5.476 11.060 4.052 449 H LEU 56 H LEU 56 -6.450 6.926 2.000 450 HA LEU 56 HA LEU 56 -6.080 6.170 -0.718 451 1HB LEU 56 2HB LEU 56 -8.385 5.294 0.998 452 2HB LEU 56 1HB LEU 56 -7.588 4.410 -0.290 453 HG LEU 56 HG LEU 56 -6.510 4.965 2.472 454 1HD1 LEU 56 1HD1 LEU 56 -6.427 2.468 2.532 455 2HD1 LEU 56 2HD1 LEU 56 -7.329 2.461 1.017 456 3HD1 LEU 56 3HD1 LEU 56 -8.052 3.149 2.471 457 1HD2 LEU 56 1HD2 LEU 56 -4.586 5.146 1.209 458 2HD2 LEU 56 2HD2 LEU 56 -5.157 4.011 -0.015 459 3HD2 LEU 56 3HD2 LEU 56 -4.634 3.419 1.562 460 H SER 57 H SER 57 -8.663 7.828 1.040 461 HA SER 57 HA SER 57 -10.499 8.003 -1.076 462 1HB SER 57 2HB SER 57 -11.580 9.756 0.224 463 2HB SER 57 1HB SER 57 -11.056 8.462 1.300 464 HG SER 57 HG SER 57 -10.480 10.453 2.176 465 H ASP 58 H ASP 58 -7.583 9.724 -0.422 466 HA ASP 58 HA ASP 58 -8.113 12.068 -1.922 467 1HB ASP 58 2HB ASP 58 -5.668 10.737 -0.843 468 2HB ASP 58 1HB ASP 58 -5.464 11.983 -2.071 469 H TYR 59 H TYR 59 -6.925 8.881 -2.759 470 HA TYR 59 HA TYR 59 -6.510 9.721 -5.537 471 1HB TYR 59 2HB TYR 59 -5.777 7.160 -4.102 472 2HB TYR 59 1HB TYR 59 -5.484 7.461 -5.811 473 HD1 TYR 59 HD1 TYR 59 -3.313 8.009 -6.339 474 HD2 TYR 59 HD2 TYR 59 -4.884 9.265 -2.580 475 HE1 TYR 59 HE1 TYR 59 -1.148 9.048 -5.787 476 HE2 TYR 59 HE2 TYR 59 -2.724 10.307 -2.019 477 HH TYR 59 HH TYR 59 0.111 9.850 -4.005 478 H ASN 60 H ASN 60 -9.119 9.131 -4.000 479 HA ASN 60 HA ASN 60 -11.126 8.103 -4.360 480 1HB ASN 60 2HB ASN 60 -10.535 7.878 -7.272 481 2HB ASN 60 1HB ASN 60 -11.977 8.482 -6.460 482 1HD2 ASN 60 1HD2 ASN 60 -12.202 10.610 -6.138 483 2HD2 ASN 60 2HD2 ASN 60 -11.019 11.799 -6.555 484 H ILE 61 H ILE 61 -9.390 6.268 -3.470 485 HA ILE 61 HA ILE 61 -9.175 4.012 -5.240 486 HB ILE 61 HB ILE 61 -8.669 4.262 -2.274 487 1HG1 ILE 61 2HG1 ILE 61 -6.896 4.302 -4.714 488 2HG1 ILE 61 1HG1 ILE 61 -7.049 5.531 -3.462 489 1HG2 ILE 61 1HG2 ILE 61 -9.290 1.968 -2.901 490 2HG2 ILE 61 2HG2 ILE 61 -7.605 2.088 -2.396 491 3HG2 ILE 61 3HG2 ILE 61 -8.006 1.964 -4.109 492 1HD1 ILE 61 1HD1 ILE 61 -5.080 4.589 -2.847 493 2HD1 ILE 61 2HD1 ILE 61 -5.522 2.994 -3.455 494 3HD1 ILE 61 3HD1 ILE 61 -6.188 3.571 -1.927 495 H GLN 62 H GLN 62 -10.679 2.532 -5.614 496 HA GLN 62 HA GLN 62 -12.958 2.342 -3.764 497 1HB GLN 62 2HB GLN 62 -12.678 2.003 -6.718 498 2HB GLN 62 1HB GLN 62 -13.923 1.083 -5.884 499 1HG GLN 62 2HG GLN 62 -15.159 2.902 -6.343 500 2HG GLN 62 1HG GLN 62 -14.416 3.504 -4.861 501 1HE2 GLN 62 1HE2 GLN 62 -13.836 5.533 -5.068 502 2HE2 GLN 62 2HE2 GLN 62 -13.145 6.264 -6.473 503 H LYS 63 H LYS 63 -14.028 0.068 -3.893 504 HA LYS 63 HA LYS 63 -12.121 -1.793 -2.890 505 1HB LYS 63 2HB LYS 63 -13.975 -3.235 -2.475 506 2HB LYS 63 1HB LYS 63 -14.512 -1.596 -2.133 507 1HG LYS 63 2HG LYS 63 -15.362 -1.655 -4.594 508 2HG LYS 63 1HG LYS 63 -15.264 -3.405 -4.380 509 1HD LYS 63 2HD LYS 63 -17.105 -3.445 -3.119 510 2HD LYS 63 1HD LYS 63 -16.540 -2.100 -2.125 511 1HE LYS 63 2HE LYS 63 -17.167 -0.826 -4.441 512 2HE LYS 63 1HE LYS 63 -18.366 -2.119 -4.427 513 1HZ LYS 63 1HZ LYS 63 -19.309 -1.340 -2.489 514 2HZ LYS 63 2HZ LYS 63 -18.894 0.104 -3.267 515 3HZ LYS 63 3HZ LYS 63 -17.926 -0.488 -2.014 516 H GLU 64 H GLU 64 -11.809 -3.982 -3.695 517 HA GLU 64 HA GLU 64 -11.273 -5.513 -5.289 518 1HB GLU 64 2HB GLU 64 -13.313 -3.963 -6.885 519 2HB GLU 64 1HB GLU 64 -12.526 -5.420 -7.474 520 1HG GLU 64 2HG GLU 64 -14.262 -5.211 -5.024 521 2HG GLU 64 1HG GLU 64 -14.727 -5.907 -6.576 522 H SER 65 H SER 65 -10.324 -2.462 -5.268 523 HA SER 65 HA SER 65 -9.173 -2.174 -7.880 524 1HB SER 65 2HB SER 65 -8.642 -0.684 -5.298 525 2HB SER 65 1HB SER 65 -7.995 -0.228 -6.874 526 HG SER 65 HG SER 65 -10.263 -0.136 -7.557 527 H THR 66 H THR 66 -6.974 -2.303 -8.442 528 HA THR 66 HA THR 66 -5.354 -3.959 -6.619 529 HB THR 66 HB THR 66 -5.485 -3.988 -9.635 530 HG1 THR 66 HG1 THR 66 -6.591 -5.761 -9.299 531 1HG2 THR 66 1HG2 THR 66 -3.729 -5.814 -9.392 532 2HG2 THR 66 2HG2 THR 66 -3.445 -5.180 -7.771 533 3HG2 THR 66 3HG2 THR 66 -3.172 -4.154 -9.179 534 H ILE 67 H ILE 67 -3.283 -3.368 -6.209 535 HA ILE 67 HA ILE 67 -2.283 -0.946 -7.561 536 HB ILE 67 HB ILE 67 -1.932 -1.687 -4.653 537 1HG1 ILE 67 2HG1 ILE 67 -3.063 0.908 -5.108 538 2HG1 ILE 67 1HG1 ILE 67 -4.002 -0.288 -5.998 539 1HG2 ILE 67 1HG2 ILE 67 -0.991 0.770 -4.717 540 2HG2 ILE 67 2HG2 ILE 67 -0.643 0.351 -6.394 541 3HG2 ILE 67 3HG2 ILE 67 0.040 -0.613 -5.084 542 1HD1 ILE 67 1HD1 ILE 67 -3.906 0.254 -3.166 543 2HD1 ILE 67 2HD1 ILE 67 -3.618 -1.450 -3.520 544 3HD1 ILE 67 3HD1 ILE 67 -5.085 -0.662 -4.104 545 H HIS 68 H HIS 68 -0.072 -0.827 -7.973 546 HA HIS 68 HA HIS 68 1.295 -3.419 -7.934 547 1HB HIS 68 2HB HIS 68 2.572 -1.196 -9.378 548 2HB HIS 68 1HB HIS 68 2.263 -2.850 -9.897 549 HD1 HIS 68 HD1 HIS 68 1.712 -0.128 -11.528 550 HD2 HIS 68 HD2 HIS 68 -1.095 -2.538 -9.637 551 HE1 HIS 68 HE1 HIS 68 -0.470 0.350 -12.684 552 HE2 HIS 68 HE2 HIS 68 -2.171 -1.041 -11.451 553 H LEU 69 H LEU 69 2.978 -3.795 -6.652 554 HA LEU 69 HA LEU 69 4.062 -1.559 -5.096 555 1HB LEU 69 2HB LEU 69 3.212 -3.353 -3.749 556 2HB LEU 69 1HB LEU 69 4.118 -4.542 -4.665 557 HG LEU 69 HG LEU 69 6.192 -3.158 -3.799 558 1HD1 LEU 69 1HD1 LEU 69 5.866 -1.719 -2.133 559 2HD1 LEU 69 2HD1 LEU 69 4.777 -2.821 -1.290 560 3HD1 LEU 69 3HD1 LEU 69 4.156 -1.766 -2.560 561 1HD2 LEU 69 1HD2 LEU 69 6.018 -5.444 -3.288 562 2HD2 LEU 69 2HD2 LEU 69 4.578 -5.200 -2.300 563 3HD2 LEU 69 3HD2 LEU 69 6.147 -4.635 -1.726 564 H VAL 70 H VAL 70 6.133 -0.916 -5.270 565 HA VAL 70 HA VAL 70 7.995 -2.593 -6.806 566 HB VAL 70 HB VAL 70 8.556 0.188 -7.285 567 1HG1 VAL 70 1HG1 VAL 70 9.354 -0.773 -9.117 568 2HG1 VAL 70 2HG1 VAL 70 7.722 -1.211 -9.624 569 3HG1 VAL 70 3HG1 VAL 70 8.653 -2.307 -8.603 570 1HG2 VAL 70 1HG2 VAL 70 5.806 -0.741 -8.107 571 2HG2 VAL 70 2HG2 VAL 70 6.616 0.697 -8.729 572 3HG2 VAL 70 3HG2 VAL 70 6.189 0.595 -7.021 573 H LEU 71 H LEU 71 10.279 -1.892 -6.546 574 HA LEU 71 HA LEU 71 10.769 -1.252 -3.745 575 1HB LEU 71 2HB LEU 71 12.000 -2.929 -5.681 576 2HB LEU 71 1HB LEU 71 13.181 -1.728 -5.191 577 HG LEU 71 HG LEU 71 13.180 -3.908 -3.897 578 1HD1 LEU 71 1HD1 LEU 71 14.417 -2.214 -2.921 579 2HD1 LEU 71 2HD1 LEU 71 13.266 -2.628 -1.651 580 3HD1 LEU 71 3HD1 LEU 71 13.002 -1.198 -2.648 581 1HD2 LEU 71 1HD2 LEU 71 10.889 -2.789 -2.350 582 2HD2 LEU 71 2HD2 LEU 71 11.497 -4.443 -2.425 583 3HD2 LEU 71 3HD2 LEU 71 10.576 -3.780 -3.775 584 H ARG 72 H ARG 72 11.507 0.651 -3.059 585 HA ARG 72 HA ARG 72 12.379 2.602 -5.080 586 1HB ARG 72 2HB ARG 72 10.453 3.400 -3.930 587 2HB ARG 72 1HB ARG 72 11.113 2.945 -2.365 588 1HG ARG 72 2HG ARG 72 12.608 4.729 -2.338 589 2HG ARG 72 1HG ARG 72 12.474 4.988 -4.078 590 1HD ARG 72 2HD ARG 72 10.378 5.995 -3.886 591 2HD ARG 72 1HD ARG 72 10.103 5.329 -2.277 592 HE ARG 72 HE ARG 72 12.312 7.187 -2.491 593 1HH1 ARG 72 2HH1 ARG 72 8.930 6.742 -1.789 594 2HH1 ARG 72 1HH1 ARG 72 8.798 8.199 -0.861 595 1HH2 ARG 72 1HH2 ARG 72 12.150 9.107 -1.271 596 2HH2 ARG 72 2HH2 ARG 72 10.628 9.544 -0.566 597 H LEU 73 H LEU 73 14.430 3.236 -5.103 598 HA LEU 73 HA LEU 73 16.363 2.151 -3.359 599 1HB LEU 73 2HB LEU 73 16.820 4.620 -5.002 600 2HB LEU 73 1HB LEU 73 17.960 3.355 -4.589 601 HG LEU 73 HG LEU 73 16.032 2.010 -6.047 602 1HD1 LEU 73 1HD1 LEU 73 15.554 4.659 -6.594 603 2HD1 LEU 73 2HD1 LEU 73 15.112 3.295 -7.621 604 3HD1 LEU 73 3HD1 LEU 73 16.617 4.167 -7.912 605 1HD2 LEU 73 1HD2 LEU 73 17.840 2.309 -7.906 606 2HD2 LEU 73 2HD2 LEU 73 18.220 1.420 -6.432 607 3HD2 LEU 73 3HD2 LEU 73 18.752 3.092 -6.616 608 H ARG 74 H ARG 74 18.073 4.333 -2.859 609 HA ARG 74 HA ARG 74 16.981 6.495 -1.517 610 1HB ARG 74 2HB ARG 74 16.517 4.094 -0.107 611 2HB ARG 74 1HB ARG 74 17.789 4.940 0.763 612 1HG ARG 74 2HG ARG 74 15.853 6.872 0.133 613 2HG ARG 74 1HG ARG 74 14.977 5.453 0.712 614 1HD ARG 74 2HD ARG 74 16.240 5.426 2.746 615 2HD ARG 74 1HD ARG 74 17.321 6.684 2.150 616 HE ARG 74 HE ARG 74 14.781 7.057 3.383 617 1HH1 ARG 74 2HH1 ARG 74 16.943 8.371 0.990 618 2HH1 ARG 74 1HH1 ARG 74 16.334 9.986 1.138 619 1HH2 ARG 74 1HH2 ARG 74 13.970 9.179 3.586 620 2HH2 ARG 74 2HH2 ARG 74 14.645 10.446 2.615 621 H GLY 75 H GLY 75 18.683 7.776 -1.817 622 1HA GLY 75 2HA GLY 75 20.897 8.430 -2.026 623 2HA GLY 75 1HA GLY 75 20.944 7.882 -0.357 624 H GLY 76 HN GLY 76 22.479 6.455 0.088 625 1HA GLY 76 2HA GLY 76 23.242 4.517 -1.994 626 2HA GLY 76 1HA GLY 76 24.482 5.462 -1.183 Start of MODEL 18 1 2H MET 1 2H MET 1 -14.790 -4.033 2.197 2 3H MET 1 3H MET 1 -13.596 -3.800 3.372 3 1H MET 1 1H MET 1 -13.594 -5.206 2.431 4 HA MET 1 HA MET 1 -13.487 -3.425 0.499 5 1HB MET 1 2HB MET 1 -13.447 -1.522 2.003 6 2HB MET 1 1HB MET 1 -12.072 -2.189 2.868 7 1HG MET 1 2HG MET 1 -10.655 -1.245 1.460 8 2HG MET 1 1HG MET 1 -11.474 -1.969 0.078 9 1HE MET 1 1HE MET 1 -10.027 0.919 1.068 10 2HE MET 1 2HE MET 1 -10.909 2.211 0.253 11 3HE MET 1 3HE MET 1 -10.254 0.865 -0.681 12 H GLN 2 H GLN 2 -12.656 -5.478 -0.148 13 HA GLN 2 HA GLN 2 -9.930 -6.092 0.724 14 1HB GLN 2 2HB GLN 2 -10.261 -8.248 -0.417 15 2HB GLN 2 1HB GLN 2 -11.504 -7.943 0.787 16 1HG GLN 2 2HG GLN 2 -12.845 -8.648 -0.878 17 2HG GLN 2 1HG GLN 2 -12.750 -6.951 -1.347 18 1HE2 GLN 2 1HE2 GLN 2 -13.014 -7.215 -3.502 19 2HE2 GLN 2 2HE2 GLN 2 -11.883 -8.033 -4.519 20 H VAL 3 H VAL 3 -8.381 -5.148 -0.389 21 HA VAL 3 HA VAL 3 -8.756 -4.612 -3.248 22 HB VAL 3 HB VAL 3 -6.692 -3.216 -3.023 23 1HG1 VAL 3 1HG1 VAL 3 -8.984 -2.527 -1.187 24 2HG1 VAL 3 2HG1 VAL 3 -8.898 -2.202 -2.919 25 3HG1 VAL 3 3HG1 VAL 3 -7.794 -1.386 -1.812 26 1HG2 VAL 3 1HG2 VAL 3 -6.722 -2.813 -0.218 27 2HG2 VAL 3 2HG2 VAL 3 -5.403 -3.409 -1.226 28 3HG2 VAL 3 3HG2 VAL 3 -6.548 -4.544 -0.511 29 H PHE 4 H PHE 4 -6.692 -4.820 -4.589 30 HA PHE 4 HA PHE 4 -5.323 -7.331 -3.876 31 1HB PHE 4 2HB PHE 4 -5.928 -6.376 -6.678 32 2HB PHE 4 1HB PHE 4 -5.280 -7.942 -6.203 33 HD1 PHE 4 HD1 PHE 4 -6.726 -9.584 -5.055 34 HD2 PHE 4 HD2 PHE 4 -8.260 -5.926 -6.619 35 HE1 PHE 4 HE1 PHE 4 -9.012 -10.499 -4.943 36 HE2 PHE 4 HE2 PHE 4 -10.549 -6.834 -6.509 37 HZ PHE 4 HZ PHE 4 -10.926 -9.125 -5.672 38 H LEU 5 H LEU 5 -3.128 -7.468 -4.202 39 HA LEU 5 HA LEU 5 -1.789 -5.019 -5.146 40 1HB LEU 5 2HB LEU 5 -1.788 -5.680 -2.580 41 2HB LEU 5 1HB LEU 5 -0.497 -6.750 -3.093 42 HG LEU 5 HG LEU 5 0.354 -4.448 -4.212 43 1HD1 LEU 5 1HD1 LEU 5 -1.413 -3.719 -1.919 44 2HD1 LEU 5 2HD1 LEU 5 -1.196 -2.913 -3.472 45 3HD1 LEU 5 3HD1 LEU 5 0.052 -2.787 -2.232 46 1HD2 LEU 5 1HD2 LEU 5 2.086 -4.810 -2.855 47 2HD2 LEU 5 2HD2 LEU 5 1.146 -6.141 -2.181 48 3HD2 LEU 5 3HD2 LEU 5 1.109 -4.556 -1.409 49 H LYS 6 H LYS 6 -0.191 -5.281 -6.601 50 HA LYS 6 HA LYS 6 0.441 -8.030 -7.413 51 1HB LYS 6 2HB LYS 6 0.474 -5.395 -8.856 52 2HB LYS 6 1HB LYS 6 1.378 -6.769 -9.477 53 1HG LYS 6 2HG LYS 6 -1.488 -7.159 -8.795 54 2HG LYS 6 1HG LYS 6 -1.081 -6.267 -10.263 55 1HD LYS 6 2HD LYS 6 0.448 -8.737 -9.904 56 2HD LYS 6 1HD LYS 6 -1.291 -8.987 -10.076 57 1HE LYS 6 2HE LYS 6 -0.537 -7.063 -11.996 58 2HE LYS 6 1HE LYS 6 0.652 -8.363 -12.080 59 1HZ LYS 6 1HZ LYS 6 -2.244 -8.461 -12.580 60 2HZ LYS 6 2HZ LYS 6 -1.446 -9.858 -12.059 61 3HZ LYS 6 3HZ LYS 6 -0.975 -9.104 -13.497 62 H THR 7 H THR 7 2.474 -8.819 -7.330 63 HA THR 7 HA THR 7 4.537 -7.062 -6.194 64 HB THR 7 HB THR 7 5.681 -9.083 -5.456 65 HG1 THR 7 HG1 THR 7 3.507 -10.461 -6.689 66 1HG2 THR 7 1HG2 THR 7 3.875 -9.995 -3.934 67 2HG2 THR 7 2HG2 THR 7 2.752 -8.923 -4.770 68 3HG2 THR 7 3HG2 THR 7 4.115 -8.249 -3.879 69 H LEU 8 H LEU 8 6.847 -8.035 -6.796 70 HA LEU 8 HA LEU 8 7.213 -7.461 -9.549 71 1HB LEU 8 2HB LEU 8 9.282 -8.826 -7.863 72 2HB LEU 8 1HB LEU 8 9.509 -7.659 -9.152 73 HG LEU 8 HG LEU 8 8.548 -7.122 -6.346 74 1HD1 LEU 8 1HD1 LEU 8 10.752 -6.906 -6.047 75 2HD1 LEU 8 2HD1 LEU 8 10.584 -5.397 -6.944 76 3HD1 LEU 8 3HD1 LEU 8 11.077 -6.869 -7.780 77 1HD2 LEU 8 1HD2 LEU 8 8.756 -5.154 -8.620 78 2HD2 LEU 8 2HD2 LEU 8 8.246 -4.819 -6.965 79 3HD2 LEU 8 3HD2 LEU 8 7.243 -5.825 -8.010 80 H THR 9 H THR 9 6.283 -10.275 -7.968 81 HA THR 9 HA THR 9 7.403 -12.035 -10.027 82 HB THR 9 HB THR 9 6.547 -13.892 -8.613 83 HG1 THR 9 HG1 THR 9 5.572 -13.455 -6.686 84 1HG2 THR 9 1HG2 THR 9 8.023 -12.700 -6.515 85 2HG2 THR 9 2HG2 THR 9 8.687 -12.089 -8.031 86 3HG2 THR 9 3HG2 THR 9 8.597 -13.827 -7.745 87 H GLY 10 H GLY 10 4.448 -10.557 -9.019 88 1HA GLY 10 2HA GLY 10 2.762 -10.415 -10.832 89 2HA GLY 10 1HA GLY 10 3.005 -12.140 -11.055 90 H LYS 11 H LYS 11 2.884 -13.210 -8.624 91 HA LYS 11 HA LYS 11 0.461 -13.848 -7.963 92 1HB LYS 11 2HB LYS 11 2.781 -14.041 -6.623 93 2HB LYS 11 1HB LYS 11 1.926 -12.935 -5.557 94 1HG LYS 11 2HG LYS 11 0.081 -14.541 -5.386 95 2HG LYS 11 1HG LYS 11 0.972 -15.657 -6.423 96 1HD LYS 11 2HD LYS 11 1.188 -16.165 -4.001 97 2HD LYS 11 1HD LYS 11 2.732 -15.853 -4.797 98 1HE LYS 11 2HE LYS 11 3.085 -13.926 -3.655 99 2HE LYS 11 1HE LYS 11 1.370 -13.523 -3.593 100 1HZ LYS 11 1HZ LYS 11 1.187 -14.431 -1.589 101 2HZ LYS 11 2HZ LYS 11 2.876 -14.515 -1.539 102 3HZ LYS 11 3HZ LYS 11 1.978 -15.852 -2.057 103 H THR 12 H THR 12 -1.310 -13.204 -6.788 104 HA THR 12 HA THR 12 -1.543 -10.297 -6.339 105 HB THR 12 HB THR 12 -3.767 -12.232 -7.014 106 HG1 THR 12 HG1 THR 12 -2.226 -10.440 -8.567 107 1HG2 THR 12 1HG2 THR 12 -4.866 -10.564 -5.877 108 2HG2 THR 12 2HG2 THR 12 -4.857 -9.882 -7.504 109 3HG2 THR 12 3HG2 THR 12 -3.676 -9.336 -6.312 110 H VAL 13 H VAL 13 -2.033 -9.609 -4.348 111 HA VAL 13 HA VAL 13 -2.894 -11.623 -2.374 112 HB VAL 13 HB VAL 13 -1.802 -10.167 -0.659 113 1HG1 VAL 13 1HG1 VAL 13 -0.526 -11.845 -2.647 114 2HG1 VAL 13 2HG1 VAL 13 -0.290 -11.786 -0.900 115 3HG1 VAL 13 3HG1 VAL 13 0.596 -10.679 -1.948 116 1HG2 VAL 13 1HG2 VAL 13 -0.788 -8.740 -3.110 117 2HG2 VAL 13 2HG2 VAL 13 -0.070 -8.574 -1.508 118 3HG2 VAL 13 3HG2 VAL 13 -1.736 -8.063 -1.785 119 H THR 14 H THR 14 -4.510 -11.111 -0.934 120 HA THR 14 HA THR 14 -6.104 -8.748 -1.628 121 HB THR 14 HB THR 14 -7.853 -9.962 -0.159 122 HG1 THR 14 HG1 THR 14 -7.396 -12.343 -0.353 123 1HG2 THR 14 1HG2 THR 14 -8.584 -10.076 -2.285 124 2HG2 THR 14 2HG2 THR 14 -8.003 -11.739 -2.224 125 3HG2 THR 14 3HG2 THR 14 -6.986 -10.475 -2.916 126 H ILE 15 H ILE 15 -6.318 -7.088 -0.264 127 HA ILE 15 HA ILE 15 -5.621 -7.482 2.567 128 HB ILE 15 HB ILE 15 -4.854 -4.978 1.090 129 1HG1 ILE 15 2HG1 ILE 15 -3.787 -7.214 0.231 130 2HG1 ILE 15 1HG1 ILE 15 -2.765 -5.810 0.527 131 1HG2 ILE 15 1HG2 ILE 15 -5.015 -4.877 3.533 132 2HG2 ILE 15 2HG2 ILE 15 -3.356 -4.657 2.976 133 3HG2 ILE 15 3HG2 ILE 15 -3.859 -6.203 3.658 134 1HD1 ILE 15 1HD1 ILE 15 -3.191 -8.007 2.530 135 2HD1 ILE 15 2HD1 ILE 15 -2.003 -6.704 2.590 136 3HD1 ILE 15 3HD1 ILE 15 -1.862 -7.971 1.371 137 H GLU 16 H GLU 16 -6.791 -6.290 4.040 138 HA GLU 16 HA GLU 16 -9.167 -4.958 2.960 139 1HB GLU 16 2HB GLU 16 -8.569 -5.999 5.736 140 2HB GLU 16 1HB GLU 16 -10.066 -5.206 5.267 141 1HG GLU 16 2HG GLU 16 -10.893 -7.065 4.378 142 2HG GLU 16 1HG GLU 16 -9.396 -7.420 3.518 143 H VAL 17 H VAL 17 -9.377 -2.818 3.049 144 HA VAL 17 HA VAL 17 -7.930 -1.314 5.101 145 HB VAL 17 HB VAL 17 -7.361 0.416 3.316 146 1HG1 VAL 17 1HG1 VAL 17 -5.452 -1.287 2.452 147 2HG1 VAL 17 2HG1 VAL 17 -6.039 -2.156 3.869 148 3HG1 VAL 17 3HG1 VAL 17 -5.434 -0.509 4.034 149 1HG2 VAL 17 1HG2 VAL 17 -8.039 -1.939 1.572 150 2HG2 VAL 17 2HG2 VAL 17 -6.989 -0.626 1.039 151 3HG2 VAL 17 3HG2 VAL 17 -8.665 -0.293 1.476 152 H GLU 18 H GLU 18 -8.643 1.006 5.152 153 HA GLU 18 HA GLU 18 -11.514 1.176 4.518 154 1HB GLU 18 2HB GLU 18 -9.909 2.163 6.849 155 2HB GLU 18 1HB GLU 18 -11.400 2.983 6.406 156 1HG GLU 18 2HG GLU 18 -11.543 1.187 8.190 157 2HG GLU 18 1HG GLU 18 -12.710 1.109 6.871 158 HA PRO 19 HA PRO 19 -10.931 4.528 1.738 159 1HB PRO 19 2HB PRO 19 -13.097 5.867 3.292 160 2HB PRO 19 1HB PRO 19 -12.963 5.599 1.550 161 1HG PRO 19 2HG PRO 19 -14.595 4.106 3.033 162 2HG PRO 19 1HG PRO 19 -13.662 3.391 1.705 163 1HD PRO 19 2HD PRO 19 -13.223 3.205 4.649 164 2HD PRO 19 1HD PRO 19 -12.923 1.999 3.382 165 H SER 20 H SER 20 -11.349 5.341 5.165 166 HA SER 20 HA SER 20 -9.978 7.868 4.860 167 1HB SER 20 2HB SER 20 -10.352 8.122 7.269 168 2HB SER 20 1HB SER 20 -11.841 7.646 6.452 169 HG SER 20 HG SER 20 -11.678 6.340 8.210 170 H ASP 21 H ASP 21 -8.626 5.144 4.438 171 HA ASP 21 HA ASP 21 -6.622 5.068 6.510 172 1HB ASP 21 2HB ASP 21 -7.163 3.502 4.019 173 2HB ASP 21 1HB ASP 21 -5.564 3.419 4.750 174 H THR 22 H THR 22 -4.423 5.558 6.274 175 HA THR 22 HA THR 22 -3.865 7.517 4.155 176 HB THR 22 HB THR 22 -1.836 7.997 5.749 177 HG1 THR 22 HG1 THR 22 -2.190 6.323 7.220 178 1HG2 THR 22 1HG2 THR 22 -3.228 9.611 7.008 179 2HG2 THR 22 2HG2 THR 22 -4.673 8.806 6.394 180 3HG2 THR 22 3HG2 THR 22 -3.575 9.617 5.279 181 H VAL 23 H VAL 23 -2.028 7.384 2.899 182 HA VAL 23 HA VAL 23 -1.138 5.011 1.954 183 HB VAL 23 HB VAL 23 0.541 7.507 2.237 184 1HG1 VAL 23 1HG1 VAL 23 2.212 6.300 1.404 185 2HG1 VAL 23 2HG1 VAL 23 1.265 6.121 -0.074 186 3HG1 VAL 23 3HG1 VAL 23 1.165 4.896 1.191 187 1HG2 VAL 23 1HG2 VAL 23 -1.495 6.599 0.246 188 2HG2 VAL 23 2HG2 VAL 23 -0.174 7.652 -0.260 189 3HG2 VAL 23 3HG2 VAL 23 -1.289 8.181 0.998 190 H GLU 24 H GLU 24 0.329 6.817 4.637 191 HA GLU 24 HA GLU 24 2.515 5.209 5.148 192 1HB GLU 24 2HB GLU 24 2.480 6.083 7.409 193 2HB GLU 24 1HB GLU 24 2.059 7.360 6.276 194 1HG GLU 24 2HG GLU 24 -0.369 6.797 6.802 195 2HG GLU 24 1HG GLU 24 0.268 5.876 8.165 196 H ASN 25 H ASN 25 -0.741 4.921 6.569 197 HA ASN 25 HA ASN 25 -0.250 2.622 8.082 198 1HB ASN 25 2HB ASN 25 -2.596 4.128 7.189 199 2HB ASN 25 1HB ASN 25 -2.911 2.407 7.386 200 1HD2 ASN 25 1HD2 ASN 25 -3.991 4.536 8.942 201 2HD2 ASN 25 2HD2 ASN 25 -3.470 4.296 10.571 202 H PHE 26 H PHE 26 -1.478 2.979 4.775 203 HA PHE 26 HA PHE 26 -2.049 0.337 4.198 204 1HB PHE 26 2HB PHE 26 -2.461 2.366 2.737 205 2HB PHE 26 1HB PHE 26 -0.776 2.248 2.239 206 HD1 PHE 26 HD1 PHE 26 -1.988 -0.978 2.861 207 HD2 PHE 26 HD2 PHE 26 -2.126 2.158 -0.025 208 HE1 PHE 26 HE1 PHE 26 -2.616 -2.610 1.124 209 HE2 PHE 26 HE2 PHE 26 -2.756 0.532 -1.767 210 HZ PHE 26 HZ PHE 26 -3.002 -1.855 -1.193 211 H LYS 27 H LYS 27 1.043 2.042 3.750 212 HA LYS 27 HA LYS 27 2.479 -0.172 2.777 213 1HB LYS 27 2HB LYS 27 3.521 2.229 4.293 214 2HB LYS 27 1HB LYS 27 4.489 1.125 3.327 215 1HG LYS 27 2HG LYS 27 3.409 1.835 1.313 216 2HG LYS 27 1HG LYS 27 2.248 2.803 2.224 217 1HD LYS 27 2HD LYS 27 3.824 4.352 1.438 218 2HD LYS 27 1HD LYS 27 4.273 4.073 3.122 219 1HE LYS 27 2HE LYS 27 5.823 2.237 2.110 220 2HE LYS 27 1HE LYS 27 5.625 3.157 0.619 221 1HZ LYS 27 1HZ LYS 27 7.420 3.665 2.625 222 2HZ LYS 27 2HZ LYS 27 6.234 4.854 2.822 223 3HZ LYS 27 3HZ LYS 27 7.031 4.694 1.339 224 H ALA 28 H ALA 28 1.691 0.890 6.009 225 HA ALA 28 HA ALA 28 3.575 -0.644 7.434 226 1HB ALA 28 1HB ALA 28 0.990 0.673 8.100 227 2HB ALA 28 2HB ALA 28 2.598 0.936 8.773 228 3HB ALA 28 3HB ALA 28 1.667 -0.485 9.244 229 H LYS 29 H LYS 29 0.335 -1.372 6.239 230 HA LYS 29 HA LYS 29 0.115 -3.906 7.503 231 1HB LYS 29 2HB LYS 29 -1.323 -2.574 5.226 232 2HB LYS 29 1HB LYS 29 -1.647 -4.252 5.636 233 1HG LYS 29 2HG LYS 29 -2.365 -3.634 7.843 234 2HG LYS 29 1HG LYS 29 -1.897 -1.955 7.564 235 1HD LYS 29 2HD LYS 29 -3.540 -2.158 5.531 236 2HD LYS 29 1HD LYS 29 -4.215 -3.486 6.477 237 1HE LYS 29 2HE LYS 29 -3.709 -0.988 7.955 238 2HE LYS 29 1HE LYS 29 -4.976 -0.908 6.733 239 1HZ LYS 29 1HZ LYS 29 -4.995 -2.192 9.288 240 2HZ LYS 29 2HZ LYS 29 -5.474 -3.239 8.049 241 3HZ LYS 29 3HZ LYS 29 -6.291 -1.776 8.281 242 H ILE 30 H ILE 30 0.984 -2.922 4.198 243 HA ILE 30 HA ILE 30 1.366 -5.411 3.062 244 HB ILE 30 HB ILE 30 3.127 -3.014 2.541 245 1HG1 ILE 30 2HG1 ILE 30 0.395 -3.709 1.445 246 2HG1 ILE 30 1HG1 ILE 30 0.821 -2.296 2.405 247 1HG2 ILE 30 1HG2 ILE 30 2.733 -5.620 1.257 248 2HG2 ILE 30 2HG2 ILE 30 4.109 -4.519 1.196 249 3HG2 ILE 30 3HG2 ILE 30 2.711 -4.243 0.155 250 1HD1 ILE 30 1HD1 ILE 30 0.760 -1.398 0.309 251 2HD1 ILE 30 2HD1 ILE 30 1.349 -2.871 -0.460 252 3HD1 ILE 30 3HD1 ILE 30 2.465 -1.832 0.425 253 H GLN 31 H GLN 31 3.551 -3.538 5.101 254 HA GLN 31 HA GLN 31 5.853 -5.100 4.800 255 1HB GLN 31 2HB GLN 31 5.763 -2.872 5.905 256 2HB GLN 31 1HB GLN 31 4.964 -3.619 7.281 257 1HG GLN 31 2HG GLN 31 6.906 -4.954 7.750 258 2HG GLN 31 1HG GLN 31 7.703 -4.370 6.289 259 1HE2 GLN 31 1HE2 GLN 31 5.789 -2.420 8.483 260 2HE2 GLN 31 2HE2 GLN 31 7.092 -1.435 9.047 261 H ASP 32 H ASP 32 3.129 -5.410 7.034 262 HA ASP 32 HA ASP 32 4.210 -7.568 8.519 263 1HB ASP 32 2HB ASP 32 2.445 -6.261 9.490 264 2HB ASP 32 1HB ASP 32 1.370 -6.612 8.140 265 H LYS 33 H LYS 33 3.082 -7.413 5.364 266 HA LYS 33 HA LYS 33 2.266 -10.231 5.328 267 1HB LYS 33 2HB LYS 33 1.737 -7.883 3.577 268 2HB LYS 33 1HB LYS 33 1.772 -9.471 2.822 269 1HG LYS 33 2HG LYS 33 0.198 -9.794 5.095 270 2HG LYS 33 1HG LYS 33 -0.283 -8.238 4.414 271 1HD LYS 33 2HD LYS 33 -1.310 -9.209 2.682 272 2HD LYS 33 1HD LYS 33 0.058 -10.281 2.376 273 1HE LYS 33 2HE LYS 33 -1.456 -10.956 4.784 274 2HE LYS 33 1HE LYS 33 -2.404 -11.054 3.300 275 1HZ LYS 33 1HZ LYS 33 -0.396 -12.372 2.426 276 2HZ LYS 33 2HZ LYS 33 -1.475 -13.146 3.474 277 3HZ LYS 33 3HZ LYS 33 0.005 -12.573 4.058 278 H GLU 34 H GLU 34 4.379 -7.973 3.561 279 HA GLU 34 HA GLU 34 5.846 -10.264 2.469 280 1HB GLU 34 2HB GLU 34 6.448 -7.436 1.711 281 2HB GLU 34 1HB GLU 34 6.572 -8.900 0.747 282 1HG GLU 34 2HG GLU 34 4.004 -7.567 1.576 283 2HG GLU 34 1HG GLU 34 4.765 -7.440 -0.010 284 H GLY 35 H GLY 35 6.110 -7.749 4.806 285 1HA GLY 35 2HA GLY 35 7.725 -7.466 6.441 286 2HA GLY 35 1HA GLY 35 8.617 -8.805 5.735 287 H ILE 36 H ILE 36 7.635 -6.097 3.785 288 HA ILE 36 HA ILE 36 10.461 -5.362 3.487 289 HB ILE 36 HB ILE 36 8.144 -4.644 1.691 290 1HG1 ILE 36 2HG1 ILE 36 10.291 -6.727 1.250 291 2HG1 ILE 36 1HG1 ILE 36 8.659 -7.098 1.796 292 1HG2 ILE 36 1HG2 ILE 36 9.895 -3.041 1.471 293 2HG2 ILE 36 2HG2 ILE 36 9.984 -4.119 0.079 294 3HG2 ILE 36 3HG2 ILE 36 11.122 -4.306 1.413 295 1HD1 ILE 36 1HD1 ILE 36 9.632 -6.711 -0.857 296 2HD1 ILE 36 2HD1 ILE 36 8.372 -5.528 -0.506 297 3HD1 ILE 36 3HD1 ILE 36 8.042 -7.249 -0.316 298 HA PRO 37 HA PRO 37 9.706 -1.725 5.957 299 1HB PRO 37 2HB PRO 37 12.102 -0.778 4.472 300 2HB PRO 37 1HB PRO 37 11.803 -0.825 6.212 301 1HG PRO 37 2HG PRO 37 13.439 -2.587 5.063 302 2HG PRO 37 1HG PRO 37 12.351 -3.075 6.376 303 1HD PRO 37 2HD PRO 37 12.110 -3.549 3.435 304 2HD PRO 37 1HD PRO 37 11.685 -4.616 4.789 305 HA PRO 38 HA PRO 38 7.407 0.890 3.232 306 1HB PRO 38 2HB PRO 38 8.218 3.039 5.122 307 2HB PRO 38 1HB PRO 38 6.604 2.568 4.579 308 1HG PRO 38 2HG PRO 38 7.458 1.933 7.022 309 2HG PRO 38 1HG PRO 38 6.470 0.803 6.079 310 1HD PRO 38 2HD PRO 38 9.409 0.765 6.616 311 2HD PRO 38 1HD PRO 38 8.266 -0.587 6.493 312 H ASP 39 H ASP 39 10.611 1.813 4.351 313 HA ASP 39 HA ASP 39 11.086 3.967 2.634 314 1HB ASP 39 2HB ASP 39 12.488 3.026 4.626 315 2HB ASP 39 1HB ASP 39 13.276 2.059 3.383 316 H GLN 40 H GLN 40 10.825 0.622 1.963 317 HA GLN 40 HA GLN 40 11.962 1.058 -0.722 318 1HB GLN 40 2HB GLN 40 11.846 -1.488 0.902 319 2HB GLN 40 1HB GLN 40 12.369 -1.401 -0.774 320 1HG GLN 40 2HG GLN 40 14.311 -0.239 -0.238 321 2HG GLN 40 1HG GLN 40 13.694 0.249 1.340 322 1HE2 GLN 40 1HE2 GLN 40 15.828 -1.714 -0.144 323 2HE2 GLN 40 2HE2 GLN 40 15.978 -2.957 1.048 324 H GLN 41 H GLN 41 9.130 1.108 0.683 325 HA GLN 41 HA GLN 41 7.749 -0.686 -1.176 326 1HB GLN 41 2HB GLN 41 7.050 0.580 1.424 327 2HB GLN 41 1HB GLN 41 5.739 0.271 0.295 328 1HG GLN 41 2HG GLN 41 6.667 -2.113 0.172 329 2HG GLN 41 1HG GLN 41 7.568 -1.687 1.627 330 1HE2 GLN 41 1HE2 GLN 41 6.618 -2.459 3.358 331 2HE2 GLN 41 2HE2 GLN 41 4.917 -2.507 3.656 332 H ARG 42 H ARG 42 7.334 0.202 -3.089 333 HA ARG 42 HA ARG 42 6.484 3.020 -3.189 334 1HB ARG 42 2HB ARG 42 8.482 2.594 -4.501 335 2HB ARG 42 1HB ARG 42 7.690 1.262 -5.333 336 1HG ARG 42 2HG ARG 42 6.556 2.625 -6.727 337 2HG ARG 42 1HG ARG 42 6.351 3.884 -5.507 338 1HD ARG 42 2HD ARG 42 8.305 4.906 -6.034 339 2HD ARG 42 1HD ARG 42 9.107 3.395 -6.457 340 HE ARG 42 HE ARG 42 7.581 5.115 -8.214 341 1HH1 ARG 42 2HH1 ARG 42 9.001 1.975 -7.714 342 2HH1 ARG 42 1HH1 ARG 42 9.057 1.588 -9.401 343 1HH2 ARG 42 1HH2 ARG 42 7.650 4.615 -10.439 344 2HH2 ARG 42 2HH2 ARG 42 8.290 3.089 -10.951 345 H LEU 43 H LEU 43 4.343 3.235 -3.293 346 HA LEU 43 HA LEU 43 2.760 1.133 -4.579 347 1HB LEU 43 2HB LEU 43 1.542 3.440 -3.130 348 2HB LEU 43 1HB LEU 43 0.956 1.796 -3.295 349 HG LEU 43 HG LEU 43 3.163 2.769 -1.487 350 1HD1 LEU 43 1HD1 LEU 43 0.344 2.340 -1.174 351 2HD1 LEU 43 2HD1 LEU 43 1.512 2.990 -0.024 352 3HD1 LEU 43 3HD1 LEU 43 1.247 1.250 -0.124 353 1HD2 LEU 43 1HD2 LEU 43 3.028 0.291 -0.725 354 2HD2 LEU 43 2HD2 LEU 43 4.001 0.714 -2.135 355 3HD2 LEU 43 3HD2 LEU 43 2.398 0.011 -2.348 356 H ILE 44 H ILE 44 2.443 1.439 -6.680 357 HA ILE 44 HA ILE 44 1.904 4.167 -7.649 358 HB ILE 44 HB ILE 44 2.651 1.847 -9.410 359 1HG1 ILE 44 2HG1 ILE 44 4.381 2.188 -7.619 360 2HG1 ILE 44 1HG1 ILE 44 4.971 2.454 -9.257 361 1HG2 ILE 44 1HG2 ILE 44 3.464 4.607 -10.030 362 2HG2 ILE 44 2HG2 ILE 44 1.726 4.300 -10.040 363 3HG2 ILE 44 3HG2 ILE 44 2.795 3.354 -11.076 364 1HD1 ILE 44 1HD1 ILE 44 5.681 4.456 -8.669 365 2HD1 ILE 44 2HD1 ILE 44 5.059 4.203 -7.037 366 3HD1 ILE 44 3HD1 ILE 44 4.030 4.931 -8.270 367 H PHE 45 H PHE 45 -0.058 4.622 -8.454 368 HA PHE 45 HA PHE 45 -1.772 2.429 -9.368 369 1HB PHE 45 2HB PHE 45 -2.344 2.860 -7.003 370 2HB PHE 45 1HB PHE 45 -2.665 4.545 -7.399 371 HD1 PHE 45 HD1 PHE 45 -3.597 1.447 -9.242 372 HD2 PHE 45 HD2 PHE 45 -4.931 4.845 -7.038 373 HE1 PHE 45 HE1 PHE 45 -5.934 0.873 -9.779 374 HE2 PHE 45 HE2 PHE 45 -7.270 4.277 -7.571 375 HZ PHE 45 HZ PHE 45 -7.772 2.288 -8.942 376 H ALA 46 H ALA 46 -3.019 2.913 -11.089 377 HA ALA 46 HA ALA 46 -3.443 4.047 -13.052 378 1HB ALA 46 1HB ALA 46 -5.392 5.013 -12.608 379 2HB ALA 46 2HB ALA 46 -4.585 6.376 -11.832 380 3HB ALA 46 3HB ALA 46 -4.994 4.942 -10.891 381 H GLY 47 H GLY 47 -0.784 4.529 -12.285 382 1HA GLY 47 2HA GLY 47 0.880 5.886 -13.176 383 2HA GLY 47 1HA GLY 47 -0.354 7.043 -13.650 384 H LYS 48 H LYS 48 -1.553 7.493 -11.153 385 HA LYS 48 HA LYS 48 0.258 9.396 -10.065 386 1HB LYS 48 2HB LYS 48 -2.476 8.432 -9.262 387 2HB LYS 48 1HB LYS 48 -1.585 9.582 -8.275 388 1HG LYS 48 2HG LYS 48 -2.598 11.134 -9.514 389 2HG LYS 48 1HG LYS 48 -1.405 10.717 -10.747 390 1HD LYS 48 2HD LYS 48 -3.027 8.992 -11.588 391 2HD LYS 48 1HD LYS 48 -4.221 9.676 -10.482 392 1HE LYS 48 2HE LYS 48 -3.047 11.809 -11.944 393 2HE LYS 48 1HE LYS 48 -3.506 10.551 -13.090 394 1HZ LYS 48 1HZ LYS 48 -5.220 12.068 -11.230 395 2HZ LYS 48 2HZ LYS 48 -5.717 10.563 -11.822 396 3HZ LYS 48 3HZ LYS 48 -5.406 11.832 -12.895 397 H GLN 49 H GLN 49 1.712 9.180 -8.495 398 HA GLN 49 HA GLN 49 1.992 6.622 -7.166 399 1HB GLN 49 2HB GLN 49 4.059 7.451 -7.856 400 2HB GLN 49 1HB GLN 49 3.671 9.097 -7.375 401 1HG GLN 49 2HG GLN 49 4.291 8.765 -5.223 402 2HG GLN 49 1HG GLN 49 3.805 7.070 -5.227 403 1HE2 GLN 49 1HE2 GLN 49 6.282 8.391 -4.323 404 2HE2 GLN 49 2HE2 GLN 49 7.563 7.597 -5.168 405 H LEU 50 H LEU 50 1.764 6.226 -5.002 406 HA LEU 50 HA LEU 50 0.144 8.132 -3.531 407 1HB LEU 50 2HB LEU 50 1.079 5.432 -2.582 408 2HB LEU 50 1HB LEU 50 -0.281 6.365 -1.990 409 HG LEU 50 HG LEU 50 -0.223 5.357 -4.818 410 1HD1 LEU 50 1HD1 LEU 50 -0.459 3.249 -4.177 411 2HD1 LEU 50 2HD1 LEU 50 -1.845 3.696 -3.182 412 3HD1 LEU 50 3HD1 LEU 50 -0.219 3.730 -2.498 413 1HD2 LEU 50 1HD2 LEU 50 -1.957 6.985 -3.383 414 2HD2 LEU 50 2HD2 LEU 50 -2.750 5.411 -3.420 415 3HD2 LEU 50 3HD2 LEU 50 -2.278 6.197 -4.927 416 H GLU 51 H GLU 51 0.878 9.469 -2.021 417 HA GLU 51 HA GLU 51 3.618 9.064 -1.019 418 1HB GLU 51 2HB GLU 51 2.082 11.660 -0.987 419 2HB GLU 51 1HB GLU 51 3.807 11.424 -0.747 420 1HG GLU 51 2HG GLU 51 4.062 10.768 -3.072 421 2HG GLU 51 1HG GLU 51 2.326 10.947 -3.323 422 H ASP 52 H ASP 52 4.049 9.276 1.182 423 HA ASP 52 HA ASP 52 2.017 8.415 2.943 424 1HB ASP 52 2HB ASP 52 4.860 9.252 3.214 425 2HB ASP 52 1HB ASP 52 3.875 9.242 4.675 426 H GLY 53 H GLY 53 0.726 10.443 1.979 427 1HA GLY 53 2HA GLY 53 0.530 12.288 4.219 428 2HA GLY 53 1HA GLY 53 0.886 13.004 2.655 429 H ARG 54 H ARG 54 -0.799 10.980 1.238 430 HA ARG 54 HA ARG 54 -3.374 12.245 1.839 431 1HB ARG 54 2HB ARG 54 -2.171 11.048 -0.631 432 2HB ARG 54 1HB ARG 54 -3.921 11.146 -0.477 433 1HG ARG 54 2HG ARG 54 -3.894 13.491 -0.406 434 2HG ARG 54 1HG ARG 54 -2.156 13.543 -0.102 435 1HD ARG 54 2HD ARG 54 -1.827 12.513 -2.365 436 2HD ARG 54 1HD ARG 54 -3.551 12.746 -2.650 437 HE ARG 54 HE ARG 54 -2.319 15.172 -1.848 438 1HH1 ARG 54 2HH1 ARG 54 -2.666 13.016 -4.561 439 2HH1 ARG 54 1HH1 ARG 54 -2.418 14.257 -5.745 440 1HH2 ARG 54 1HH2 ARG 54 -1.992 16.813 -3.398 441 2HH2 ARG 54 2HH2 ARG 54 -2.035 16.415 -5.083 442 H THR 55 H THR 55 -5.169 10.547 0.784 443 HA THR 55 HA THR 55 -4.795 8.040 2.290 444 HB THR 55 HB THR 55 -7.293 8.089 2.672 445 HG1 THR 55 HG1 THR 55 -8.334 9.656 1.716 446 1HG2 THR 55 1HG2 THR 55 -6.412 10.496 4.071 447 2HG2 THR 55 2HG2 THR 55 -5.238 9.181 4.139 448 3HG2 THR 55 3HG2 THR 55 -6.885 8.924 4.713 449 H LEU 56 H LEU 56 -6.301 6.284 1.569 450 HA LEU 56 HA LEU 56 -5.940 5.690 -1.123 451 1HB LEU 56 2HB LEU 56 -8.187 4.576 0.541 452 2HB LEU 56 1HB LEU 56 -7.332 3.796 -0.776 453 HG LEU 56 HG LEU 56 -6.448 4.215 2.052 454 1HD1 LEU 56 1HD1 LEU 56 -7.320 2.037 0.449 455 2HD1 LEU 56 2HD1 LEU 56 -6.849 2.038 2.148 456 3HD1 LEU 56 3HD1 LEU 56 -5.637 1.762 0.898 457 1HD2 LEU 56 1HD2 LEU 56 -4.579 3.513 -0.200 458 2HD2 LEU 56 2HD2 LEU 56 -4.180 3.751 1.502 459 3HD2 LEU 56 3HD2 LEU 56 -4.691 5.122 0.516 460 H SER 57 H SER 57 -8.758 7.036 0.536 461 HA SER 57 HA SER 57 -10.499 7.062 -1.672 462 1HB SER 57 2HB SER 57 -11.943 8.335 -0.348 463 2HB SER 57 1HB SER 57 -10.981 7.476 0.856 464 HG SER 57 HG SER 57 -10.617 9.417 1.582 465 H ASP 58 H ASP 58 -7.907 9.166 -0.721 466 HA ASP 58 HA ASP 58 -8.624 11.442 -2.229 467 1HB ASP 58 2HB ASP 58 -5.915 10.456 -1.313 468 2HB ASP 58 1HB ASP 58 -6.202 12.037 -2.033 469 H TYR 59 H TYR 59 -7.175 8.411 -3.087 470 HA TYR 59 HA TYR 59 -6.443 9.421 -5.739 471 1HB TYR 59 2HB TYR 59 -5.820 6.833 -4.314 472 2HB TYR 59 1HB TYR 59 -5.408 7.128 -6.000 473 HD1 TYR 59 HD1 TYR 59 -3.488 8.388 -6.587 474 HD2 TYR 59 HD2 TYR 59 -4.785 8.266 -2.528 475 HE1 TYR 59 HE1 TYR 59 -1.381 9.458 -5.888 476 HE2 TYR 59 HE2 TYR 59 -2.682 9.336 -1.817 477 HH TYR 59 HH TYR 59 -0.067 9.951 -4.104 478 H ASN 60 H ASN 60 -9.168 8.419 -4.397 479 HA ASN 60 HA ASN 60 -11.134 7.618 -5.220 480 1HB ASN 60 2HB ASN 60 -9.897 8.723 -7.416 481 2HB ASN 60 1HB ASN 60 -10.229 7.081 -7.956 482 1HD2 ASN 60 1HD2 ASN 60 -11.778 7.693 -9.420 483 2HD2 ASN 60 2HD2 ASN 60 -13.332 8.286 -8.949 484 H ILE 61 H ILE 61 -9.359 5.839 -4.011 485 HA ILE 61 HA ILE 61 -9.240 3.432 -5.618 486 HB ILE 61 HB ILE 61 -8.475 3.987 -2.754 487 1HG1 ILE 61 2HG1 ILE 61 -6.833 3.374 -5.222 488 2HG1 ILE 61 1HG1 ILE 61 -6.997 4.955 -4.463 489 1HG2 ILE 61 1HG2 ILE 61 -7.345 1.559 -3.598 490 2HG2 ILE 61 2HG2 ILE 61 -9.058 1.480 -4.008 491 3HG2 ILE 61 3HG2 ILE 61 -8.563 1.808 -2.347 492 1HD1 ILE 61 1HD1 ILE 61 -4.896 3.971 -3.849 493 2HD1 ILE 61 2HD1 ILE 61 -5.706 2.517 -3.269 494 3HD1 ILE 61 3HD1 ILE 61 -5.941 4.051 -2.431 495 H GLN 62 H GLN 62 -10.645 1.768 -5.573 496 HA GLN 62 HA GLN 62 -12.983 2.035 -3.831 497 1HB GLN 62 2HB GLN 62 -12.599 0.206 -6.206 498 2HB GLN 62 1HB GLN 62 -14.107 0.534 -5.363 499 1HG GLN 62 2HG GLN 62 -14.462 2.027 -6.974 500 2HG GLN 62 1HG GLN 62 -13.321 3.039 -6.088 501 1HE2 GLN 62 1HE2 GLN 62 -12.470 4.099 -7.810 502 2HE2 GLN 62 2HE2 GLN 62 -11.538 3.334 -9.047 503 H LYS 63 H LYS 63 -13.976 -0.341 -3.444 504 HA LYS 63 HA LYS 63 -12.173 -1.564 -1.605 505 1HB LYS 63 2HB LYS 63 -14.058 -3.182 -1.262 506 2HB LYS 63 1HB LYS 63 -14.486 -1.493 -1.019 507 1HG LYS 63 2HG LYS 63 -15.866 -1.437 -2.818 508 2HG LYS 63 1HG LYS 63 -14.922 -2.625 -3.720 509 1HD LYS 63 2HD LYS 63 -17.150 -3.461 -3.012 510 2HD LYS 63 1HD LYS 63 -15.807 -4.421 -2.388 511 1HE LYS 63 2HE LYS 63 -16.393 -4.008 -0.280 512 2HE LYS 63 1HE LYS 63 -16.486 -2.273 -0.582 513 1HZ LYS 63 1HZ LYS 63 -18.598 -3.464 0.142 514 2HZ LYS 63 2HZ LYS 63 -18.651 -4.098 -1.424 515 3HZ LYS 63 3HZ LYS 63 -18.714 -2.425 -1.189 516 H GLU 64 H GLU 64 -12.243 -1.810 -4.865 517 HA GLU 64 HA GLU 64 -11.120 -4.518 -4.768 518 1HB GLU 64 2HB GLU 64 -13.148 -3.474 -6.741 519 2HB GLU 64 1HB GLU 64 -12.160 -4.892 -7.054 520 1HG GLU 64 2HG GLU 64 -13.104 -6.007 -5.117 521 2HG GLU 64 1HG GLU 64 -14.061 -4.573 -4.742 522 H SER 65 H SER 65 -10.090 -1.683 -4.922 523 HA SER 65 HA SER 65 -8.974 -1.369 -7.535 524 1HB SER 65 2HB SER 65 -8.371 -0.044 -4.885 525 2HB SER 65 1HB SER 65 -7.558 0.390 -6.389 526 HG SER 65 HG SER 65 -9.975 0.519 -7.091 527 H THR 66 H THR 66 -6.787 -1.600 -8.157 528 HA THR 66 HA THR 66 -5.246 -3.458 -6.464 529 HB THR 66 HB THR 66 -5.470 -3.372 -9.475 530 HG1 THR 66 HG1 THR 66 -5.970 -5.698 -8.912 531 1HG2 THR 66 1HG2 THR 66 -3.274 -4.254 -7.801 532 2HG2 THR 66 2HG2 THR 66 -3.361 -4.107 -9.556 533 3HG2 THR 66 3HG2 THR 66 -3.931 -5.577 -8.765 534 H ILE 67 H ILE 67 -3.255 -2.844 -5.906 535 HA ILE 67 HA ILE 67 -2.069 -0.545 -7.321 536 HB ILE 67 HB ILE 67 -1.671 -1.319 -4.429 537 1HG1 ILE 67 2HG1 ILE 67 -2.905 0.798 -3.966 538 2HG1 ILE 67 1HG1 ILE 67 -3.253 0.934 -5.687 539 1HG2 ILE 67 1HG2 ILE 67 -0.712 1.132 -4.511 540 2HG2 ILE 67 2HG2 ILE 67 -0.441 0.726 -6.205 541 3HG2 ILE 67 3HG2 ILE 67 0.290 -0.256 -4.936 542 1HD1 ILE 67 1HD1 ILE 67 -4.855 -0.645 -5.622 543 2HD1 ILE 67 2HD1 ILE 67 -4.928 -0.168 -3.926 544 3HD1 ILE 67 3HD1 ILE 67 -4.018 -1.603 -4.400 545 H HIS 68 H HIS 68 0.188 -0.530 -7.641 546 HA HIS 68 HA HIS 68 1.383 -3.214 -7.626 547 1HB HIS 68 2HB HIS 68 2.008 -0.772 -9.294 548 2HB HIS 68 1HB HIS 68 2.955 -2.255 -9.332 549 HD1 HIS 68 HD1 HIS 68 2.298 -3.824 -11.121 550 HD2 HIS 68 HD2 HIS 68 -0.862 -1.380 -9.978 551 HE1 HIS 68 HE1 HIS 68 0.394 -4.429 -12.648 552 HE2 HIS 68 HE2 HIS 68 -1.485 -2.886 -11.986 553 H LEU 69 H LEU 69 3.014 -3.645 -6.301 554 HA LEU 69 HA LEU 69 4.265 -1.424 -4.856 555 1HB LEU 69 2HB LEU 69 3.179 -3.334 -3.620 556 2HB LEU 69 1HB LEU 69 4.446 -4.372 -4.248 557 HG LEU 69 HG LEU 69 6.099 -2.785 -3.123 558 1HD1 LEU 69 1HD1 LEU 69 4.817 -0.876 -2.672 559 2HD1 LEU 69 2HD1 LEU 69 5.049 -1.647 -1.102 560 3HD1 LEU 69 3HD1 LEU 69 3.512 -1.817 -1.950 561 1HD2 LEU 69 1HD2 LEU 69 5.894 -4.881 -2.145 562 2HD2 LEU 69 2HD2 LEU 69 4.215 -4.610 -1.678 563 3HD2 LEU 69 3HD2 LEU 69 5.514 -3.784 -0.819 564 H VAL 70 H VAL 70 6.354 -0.905 -5.113 565 HA VAL 70 HA VAL 70 8.057 -2.750 -6.656 566 HB VAL 70 HB VAL 70 8.672 0.127 -6.884 567 1HG1 VAL 70 1HG1 VAL 70 8.435 -2.022 -8.984 568 2HG1 VAL 70 2HG1 VAL 70 9.889 -1.734 -8.028 569 3HG1 VAL 70 3HG1 VAL 70 9.285 -0.482 -9.113 570 1HG2 VAL 70 1HG2 VAL 70 6.059 -0.980 -7.694 571 2HG2 VAL 70 2HG2 VAL 70 6.897 -0.005 -8.900 572 3HG2 VAL 70 3HG2 VAL 70 6.524 0.679 -7.318 573 H LEU 71 H LEU 71 10.010 -3.174 -5.817 574 HA LEU 71 HA LEU 71 10.683 -2.694 -3.210 575 1HB LEU 71 2HB LEU 71 12.005 -3.735 -5.547 576 2HB LEU 71 1HB LEU 71 13.134 -2.804 -4.581 577 HG LEU 71 HG LEU 71 13.096 -5.242 -4.054 578 1HD1 LEU 71 1HD1 LEU 71 13.822 -4.688 -2.030 579 2HD1 LEU 71 2HD1 LEU 71 12.204 -4.214 -1.510 580 3HD1 LEU 71 3HD1 LEU 71 13.239 -3.053 -2.343 581 1HD2 LEU 71 1HD2 LEU 71 11.172 -6.301 -3.768 582 2HD2 LEU 71 2HD2 LEU 71 10.298 -4.786 -3.981 583 3HD2 LEU 71 3HD2 LEU 71 10.815 -5.286 -2.370 584 H ARG 72 H ARG 72 11.038 -0.557 -5.914 585 HA ARG 72 HA ARG 72 11.622 1.640 -6.047 586 1HB ARG 72 2HB ARG 72 10.375 1.609 -3.759 587 2HB ARG 72 1HB ARG 72 11.987 1.759 -3.071 588 1HG ARG 72 2HG ARG 72 11.763 3.686 -5.128 589 2HG ARG 72 1HG ARG 72 10.306 3.785 -4.137 590 1HD ARG 72 2HD ARG 72 12.294 3.532 -2.263 591 2HD ARG 72 1HD ARG 72 13.064 4.515 -3.507 592 HE ARG 72 HE ARG 72 10.703 5.753 -3.182 593 1HH1 ARG 72 2HH1 ARG 72 13.109 4.662 -0.915 594 2HH1 ARG 72 1HH1 ARG 72 12.762 5.898 0.248 595 1HH2 ARG 72 1HH2 ARG 72 10.235 7.385 -1.659 596 2HH2 ARG 72 2HH2 ARG 72 11.127 7.447 -0.175 597 H LEU 73 H LEU 73 13.579 -0.695 -5.636 598 HA LEU 73 HA LEU 73 15.937 0.617 -6.201 599 1HB LEU 73 2HB LEU 73 16.245 1.581 -4.142 600 2HB LEU 73 1HB LEU 73 15.412 0.293 -3.292 601 HG LEU 73 HG LEU 73 17.408 -1.171 -3.706 602 1HD1 LEU 73 1HD1 LEU 73 18.126 0.868 -5.460 603 2HD1 LEU 73 2HD1 LEU 73 19.104 -0.520 -4.982 604 3HD1 LEU 73 3HD1 LEU 73 19.255 1.005 -4.111 605 1HD2 LEU 73 1HD2 LEU 73 17.082 -0.103 -1.560 606 2HD2 LEU 73 2HD2 LEU 73 17.842 1.375 -2.153 607 3HD2 LEU 73 3HD2 LEU 73 18.795 -0.097 -1.980 608 H ARG 74 H ARG 74 17.224 -0.852 -7.113 609 HA ARG 74 HA ARG 74 18.365 -2.835 -7.411 610 1HB ARG 74 2HB ARG 74 17.712 -3.112 -4.823 611 2HB ARG 74 1HB ARG 74 16.688 -4.371 -5.501 612 1HG ARG 74 2HG ARG 74 18.549 -5.537 -6.381 613 2HG ARG 74 1HG ARG 74 19.635 -4.182 -6.061 614 1HD ARG 74 2HD ARG 74 19.824 -6.071 -4.435 615 2HD ARG 74 1HD ARG 74 19.466 -4.507 -3.705 616 HE ARG 74 HE ARG 74 17.017 -5.569 -4.022 617 1HH1 ARG 74 2HH1 ARG 74 19.959 -6.823 -2.645 618 2HH1 ARG 74 1HH1 ARG 74 19.145 -7.849 -1.512 619 1HH2 ARG 74 1HH2 ARG 74 15.933 -6.915 -2.533 620 2HH2 ARG 74 2HH2 ARG 74 16.856 -7.902 -1.448 621 H GLY 75 H GLY 75 15.033 -3.729 -6.494 622 1HA GLY 75 2HA GLY 75 14.595 -5.680 -8.380 623 2HA GLY 75 1HA GLY 75 13.329 -4.646 -7.737 624 H GLY 76 HN GLY 76 12.490 -3.023 -8.982 625 1HA GLY 76 2HA GLY 76 13.415 -2.996 -11.779 626 2HA GLY 76 1HA GLY 76 11.793 -2.582 -11.243 Start of MODEL 19 1 2H MET 1 2H MET 1 -13.493 -2.071 3.033 2 3H MET 1 3H MET 1 -13.531 -3.660 2.455 3 1H MET 1 1H MET 1 -14.698 -2.546 1.945 4 HA MET 1 HA MET 1 -13.415 -2.310 0.162 5 1HB MET 1 2HB MET 1 -13.122 -0.154 1.099 6 2HB MET 1 1HB MET 1 -11.963 -0.738 2.284 7 1HG MET 1 2HG MET 1 -10.458 -1.284 0.311 8 2HG MET 1 1HG MET 1 -11.569 -0.318 -0.658 9 1HE MET 1 1HE MET 1 -11.423 2.919 -0.085 10 2HE MET 1 2HE MET 1 -11.284 1.602 -1.250 11 3HE MET 1 3HE MET 1 -9.882 2.607 -0.883 12 H GLN 2 H GLN 2 -12.674 -4.333 -0.395 13 HA GLN 2 HA GLN 2 -10.103 -5.205 0.702 14 1HB GLN 2 2HB GLN 2 -12.457 -6.568 -0.088 15 2HB GLN 2 1HB GLN 2 -11.184 -7.054 -1.200 16 1HG GLN 2 2HG GLN 2 -10.112 -8.248 0.353 17 2HG GLN 2 1HG GLN 2 -10.373 -7.037 1.608 18 1HE2 GLN 2 1HE2 GLN 2 -11.399 -9.999 0.269 19 2HE2 GLN 2 2HE2 GLN 2 -12.712 -10.301 1.349 20 H VAL 3 H VAL 3 -8.424 -4.368 -0.324 21 HA VAL 3 HA VAL 3 -8.528 -3.998 -3.232 22 HB VAL 3 HB VAL 3 -6.481 -2.656 -2.957 23 1HG1 VAL 3 1HG1 VAL 3 -7.899 -0.963 -2.748 24 2HG1 VAL 3 2HG1 VAL 3 -7.895 -1.190 -0.999 25 3HG1 VAL 3 3HG1 VAL 3 -9.088 -2.024 -1.993 26 1HG2 VAL 3 1HG2 VAL 3 -5.890 -2.020 -0.560 27 2HG2 VAL 3 2HG2 VAL 3 -5.386 -3.617 -1.114 28 3HG2 VAL 3 3HG2 VAL 3 -6.802 -3.450 -0.077 29 H PHE 4 H PHE 4 -6.611 -4.565 -4.504 30 HA PHE 4 HA PHE 4 -5.322 -7.005 -3.473 31 1HB PHE 4 2HB PHE 4 -5.891 -6.290 -6.358 32 2HB PHE 4 1HB PHE 4 -5.185 -7.794 -5.777 33 HD1 PHE 4 HD1 PHE 4 -8.242 -5.699 -5.345 34 HD2 PHE 4 HD2 PHE 4 -6.560 -9.615 -5.462 35 HE1 PHE 4 HE1 PHE 4 -10.498 -6.670 -5.139 36 HE2 PHE 4 HE2 PHE 4 -8.814 -10.594 -5.258 37 HZ PHE 4 HZ PHE 4 -10.786 -9.120 -5.096 38 H LEU 5 H LEU 5 -3.131 -7.181 -3.569 39 HA LEU 5 HA LEU 5 -1.679 -4.858 -4.654 40 1HB LEU 5 2HB LEU 5 -1.715 -5.520 -2.089 41 2HB LEU 5 1HB LEU 5 -0.467 -6.639 -2.598 42 HG LEU 5 HG LEU 5 0.425 -4.319 -3.715 43 1HD1 LEU 5 1HD1 LEU 5 0.176 -2.527 -2.170 44 2HD1 LEU 5 2HD1 LEU 5 -0.686 -3.555 -1.024 45 3HD1 LEU 5 3HD1 LEU 5 -1.442 -3.114 -2.556 46 1HD2 LEU 5 1HD2 LEU 5 1.981 -4.247 -1.773 47 2HD2 LEU 5 2HD2 LEU 5 1.811 -5.847 -2.494 48 3HD2 LEU 5 3HD2 LEU 5 0.981 -5.468 -0.985 49 H LYS 6 H LYS 6 -0.131 -5.189 -6.137 50 HA LYS 6 HA LYS 6 0.388 -7.958 -6.949 51 1HB LYS 6 2HB LYS 6 0.372 -5.334 -8.345 52 2HB LYS 6 1HB LYS 6 1.512 -6.540 -8.924 53 1HG LYS 6 2HG LYS 6 -0.747 -8.020 -8.741 54 2HG LYS 6 1HG LYS 6 -1.409 -6.437 -9.152 55 1HD LYS 6 2HD LYS 6 -0.475 -6.431 -11.221 56 2HD LYS 6 1HD LYS 6 0.945 -7.341 -10.700 57 1HE LYS 6 2HE LYS 6 -1.351 -9.006 -10.441 58 2HE LYS 6 1HE LYS 6 -1.360 -8.286 -12.051 59 1HZ LYS 6 1HZ LYS 6 0.879 -9.099 -12.401 60 2HZ LYS 6 2HZ LYS 6 -0.145 -10.382 -11.997 61 3HZ LYS 6 3HZ LYS 6 0.920 -9.757 -10.843 62 H THR 7 H THR 7 2.494 -8.725 -7.302 63 HA THR 7 HA THR 7 4.581 -7.193 -5.893 64 HB THR 7 HB THR 7 5.603 -9.226 -5.211 65 HG1 THR 7 HG1 THR 7 3.852 -11.048 -6.209 66 1HG2 THR 7 1HG2 THR 7 3.893 -8.828 -3.693 67 2HG2 THR 7 2HG2 THR 7 3.566 -10.488 -4.193 68 3HG2 THR 7 3HG2 THR 7 2.628 -9.160 -4.876 69 H LEU 8 H LEU 8 6.852 -8.237 -6.596 70 HA LEU 8 HA LEU 8 7.137 -7.516 -9.370 71 1HB LEU 8 2HB LEU 8 9.194 -8.495 -7.388 72 2HB LEU 8 1HB LEU 8 9.542 -7.820 -8.968 73 HG LEU 8 HG LEU 8 8.498 -6.411 -6.529 74 1HD1 LEU 8 1HD1 LEU 8 10.415 -5.031 -6.790 75 2HD1 LEU 8 2HD1 LEU 8 10.771 -5.717 -8.376 76 3HD1 LEU 8 3HD1 LEU 8 10.957 -6.704 -6.926 77 1HD2 LEU 8 1HD2 LEU 8 7.113 -5.763 -8.469 78 2HD2 LEU 8 2HD2 LEU 8 8.580 -5.300 -9.331 79 3HD2 LEU 8 3HD2 LEU 8 8.109 -4.438 -7.866 80 H THR 9 H THR 9 6.372 -10.350 -7.806 81 HA THR 9 HA THR 9 7.731 -12.063 -9.758 82 HB THR 9 HB THR 9 6.719 -13.928 -8.319 83 HG1 THR 9 HG1 THR 9 6.628 -12.223 -6.157 84 1HG2 THR 9 1HG2 THR 9 8.564 -12.274 -6.663 85 2HG2 THR 9 2HG2 THR 9 9.112 -12.817 -8.249 86 3HG2 THR 9 3HG2 THR 9 8.621 -13.997 -7.033 87 H GLY 10 H GLY 10 4.635 -10.763 -8.962 88 1HA GLY 10 2HA GLY 10 2.932 -10.716 -10.671 89 2HA GLY 10 1HA GLY 10 3.472 -12.306 -11.187 90 H LYS 11 H LYS 11 2.993 -11.408 -7.833 91 HA LYS 11 HA LYS 11 0.833 -13.393 -7.689 92 1HB LYS 11 2HB LYS 11 2.879 -13.725 -6.275 93 2HB LYS 11 1HB LYS 11 2.459 -12.250 -5.414 94 1HG LYS 11 2HG LYS 11 0.519 -13.209 -4.498 95 2HG LYS 11 1HG LYS 11 0.571 -14.574 -5.616 96 1HD LYS 11 2HD LYS 11 1.309 -15.264 -3.407 97 2HD LYS 11 1HD LYS 11 2.645 -15.349 -4.556 98 1HE LYS 11 2HE LYS 11 3.275 -13.018 -3.742 99 2HE LYS 11 1HE LYS 11 2.148 -13.298 -2.416 100 1HZ LYS 11 1HZ LYS 11 3.899 -15.507 -2.726 101 2HZ LYS 11 2HZ LYS 11 3.652 -14.523 -1.373 102 3HZ LYS 11 3HZ LYS 11 4.787 -14.078 -2.545 103 H THR 12 H THR 12 -1.048 -12.954 -6.454 104 HA THR 12 HA THR 12 -1.591 -10.080 -6.086 105 HB THR 12 HB THR 12 -3.729 -12.098 -6.735 106 HG1 THR 12 HG1 THR 12 -1.833 -10.959 -8.414 107 1HG2 THR 12 1HG2 THR 12 -3.706 -9.180 -7.419 108 2HG2 THR 12 2HG2 THR 12 -4.148 -9.719 -5.799 109 3HG2 THR 12 3HG2 THR 12 -5.082 -10.260 -7.194 110 H VAL 13 H VAL 13 -2.137 -9.482 -4.093 111 HA VAL 13 HA VAL 13 -3.018 -11.567 -2.203 112 HB VAL 13 HB VAL 13 -2.138 -10.082 -0.407 113 1HG1 VAL 13 1HG1 VAL 13 -0.497 -11.437 -2.446 114 2HG1 VAL 13 2HG1 VAL 13 -0.593 -11.700 -0.704 115 3HG1 VAL 13 3HG1 VAL 13 0.370 -10.368 -1.344 116 1HG2 VAL 13 1HG2 VAL 13 -1.136 -8.494 -2.758 117 2HG2 VAL 13 2HG2 VAL 13 -0.481 -8.336 -1.128 118 3HG2 VAL 13 3HG2 VAL 13 -2.172 -7.946 -1.441 119 H THR 14 H THR 14 -4.495 -10.865 -0.501 120 HA THR 14 HA THR 14 -6.243 -8.663 -1.390 121 HB THR 14 HB THR 14 -7.462 -10.796 0.251 122 HG1 THR 14 HG1 THR 14 -7.523 -12.278 -1.393 123 1HG2 THR 14 1HG2 THR 14 -8.382 -9.538 -2.329 124 2HG2 THR 14 2HG2 THR 14 -8.640 -8.803 -0.747 125 3HG2 THR 14 3HG2 THR 14 -9.362 -10.368 -1.120 126 H ILE 15 H ILE 15 -5.784 -7.027 -0.037 127 HA ILE 15 HA ILE 15 -5.645 -7.600 2.847 128 HB ILE 15 HB ILE 15 -4.605 -5.208 1.325 129 1HG1 ILE 15 2HG1 ILE 15 -3.253 -7.588 2.600 130 2HG1 ILE 15 1HG1 ILE 15 -3.182 -7.081 0.915 131 1HG2 ILE 15 1HG2 ILE 15 -5.223 -4.377 3.422 132 2HG2 ILE 15 2HG2 ILE 15 -3.505 -4.742 3.589 133 3HG2 ILE 15 3HG2 ILE 15 -4.710 -5.845 4.255 134 1HD1 ILE 15 1HD1 ILE 15 -1.142 -6.399 1.709 135 2HD1 ILE 15 2HD1 ILE 15 -1.786 -5.953 3.290 136 3HD1 ILE 15 3HD1 ILE 15 -2.103 -4.930 1.888 137 H GLU 16 H GLU 16 -6.898 -6.448 4.292 138 HA GLU 16 HA GLU 16 -9.182 -5.044 3.100 139 1HB GLU 16 2HB GLU 16 -9.977 -5.347 5.619 140 2HB GLU 16 1HB GLU 16 -10.145 -6.631 4.430 141 1HG GLU 16 2HG GLU 16 -8.132 -7.692 5.239 142 2HG GLU 16 1HG GLU 16 -7.862 -6.370 6.373 143 H VAL 17 H VAL 17 -9.458 -2.925 3.362 144 HA VAL 17 HA VAL 17 -8.152 -1.561 5.597 145 HB VAL 17 HB VAL 17 -7.102 0.090 4.298 146 1HG1 VAL 17 1HG1 VAL 17 -6.728 -2.617 3.041 147 2HG1 VAL 17 2HG1 VAL 17 -5.752 -1.850 4.294 148 3HG1 VAL 17 3HG1 VAL 17 -5.715 -1.229 2.644 149 1HG2 VAL 17 1HG2 VAL 17 -8.454 0.817 2.625 150 2HG2 VAL 17 2HG2 VAL 17 -8.968 -0.811 2.183 151 3HG2 VAL 17 3HG2 VAL 17 -7.394 -0.211 1.661 152 H GLU 18 H GLU 18 -8.913 0.751 5.766 153 HA GLU 18 HA GLU 18 -11.785 0.829 5.162 154 1HB GLU 18 2HB GLU 18 -10.092 1.938 7.349 155 2HB GLU 18 1HB GLU 18 -11.549 2.817 6.907 156 1HG GLU 18 2HG GLU 18 -12.414 1.475 8.509 157 2HG GLU 18 1HG GLU 18 -12.623 0.409 7.120 158 HA PRO 19 HA PRO 19 -10.900 3.765 1.899 159 1HB PRO 19 2HB PRO 19 -13.753 4.421 2.472 160 2HB PRO 19 1HB PRO 19 -12.962 4.103 0.925 161 1HG PRO 19 2HG PRO 19 -14.505 2.258 2.074 162 2HG PRO 19 1HG PRO 19 -13.019 1.804 1.220 163 1HD PRO 19 2HD PRO 19 -13.561 1.929 4.146 164 2HD PRO 19 1HD PRO 19 -12.506 0.829 3.238 165 H SER 20 H SER 20 -9.545 5.104 3.136 166 HA SER 20 HA SER 20 -9.832 7.671 3.376 167 1HB SER 20 2HB SER 20 -10.725 8.168 5.717 168 2HB SER 20 1HB SER 20 -11.918 7.699 4.506 169 HG SER 20 HG SER 20 -10.742 5.963 6.421 170 H ASP 21 H ASP 21 -8.389 4.908 4.433 171 HA ASP 21 HA ASP 21 -6.867 5.906 6.631 172 1HB ASP 21 2HB ASP 21 -6.720 3.463 4.889 173 2HB ASP 21 1HB ASP 21 -5.411 3.838 6.005 174 H THR 22 H THR 22 -4.433 5.954 6.530 175 HA THR 22 HA THR 22 -3.646 7.635 4.284 176 HB THR 22 HB THR 22 -1.604 8.086 5.629 177 HG1 THR 22 HG1 THR 22 -2.660 7.016 7.935 178 1HG2 THR 22 1HG2 THR 22 -3.718 8.591 7.605 179 2HG2 THR 22 2HG2 THR 22 -4.110 9.100 5.962 180 3HG2 THR 22 3HG2 THR 22 -2.664 9.722 6.759 181 H VAL 23 H VAL 23 -1.884 7.236 2.956 182 HA VAL 23 HA VAL 23 -1.441 4.665 2.074 183 HB VAL 23 HB VAL 23 0.590 6.895 1.917 184 1HG1 VAL 23 1HG1 VAL 23 0.711 5.545 -0.432 185 2HG1 VAL 23 2HG1 VAL 23 0.333 4.239 0.690 186 3HG1 VAL 23 3HG1 VAL 23 1.762 5.239 0.950 187 1HG2 VAL 23 1HG2 VAL 23 -2.014 6.498 0.568 188 2HG2 VAL 23 2HG2 VAL 23 -0.669 7.033 -0.438 189 3HG2 VAL 23 3HG2 VAL 23 -1.154 7.987 0.963 190 H GLU 24 H GLU 24 0.293 6.474 4.550 191 HA GLU 24 HA GLU 24 2.492 4.830 4.925 192 1HB GLU 24 2HB GLU 24 2.532 5.694 7.246 193 2HB GLU 24 1HB GLU 24 2.299 6.965 6.054 194 1HG GLU 24 2HG GLU 24 -0.128 6.904 6.527 195 2HG GLU 24 1HG GLU 24 0.186 5.725 7.800 196 H ASN 25 H ASN 25 -0.687 4.646 6.519 197 HA ASN 25 HA ASN 25 -0.172 2.378 8.072 198 1HB ASN 25 2HB ASN 25 -2.585 3.808 7.125 199 2HB ASN 25 1HB ASN 25 -2.827 2.130 7.600 200 1HD2 ASN 25 1HD2 ASN 25 -2.616 5.288 8.657 201 2HD2 ASN 25 2HD2 ASN 25 -2.479 4.990 10.353 202 H PHE 26 H PHE 26 -1.469 2.691 4.792 203 HA PHE 26 HA PHE 26 -2.062 0.008 4.315 204 1HB PHE 26 2HB PHE 26 -2.652 1.977 2.849 205 2HB PHE 26 1HB PHE 26 -0.992 1.949 2.260 206 HD1 PHE 26 HD1 PHE 26 -3.310 -0.870 2.998 207 HD2 PHE 26 HD2 PHE 26 -1.131 1.297 0.042 208 HE1 PHE 26 HE1 PHE 26 -3.944 -2.547 1.306 209 HE2 PHE 26 HE2 PHE 26 -1.762 -0.376 -1.656 210 HZ PHE 26 HZ PHE 26 -3.171 -2.301 -1.023 211 H LYS 27 H LYS 27 0.937 1.803 3.642 212 HA LYS 27 HA LYS 27 2.396 -0.317 2.557 213 1HB LYS 27 2HB LYS 27 3.453 2.003 4.183 214 2HB LYS 27 1HB LYS 27 4.392 0.995 3.093 215 1HG LYS 27 2HG LYS 27 2.536 1.809 1.373 216 2HG LYS 27 1HG LYS 27 2.479 3.170 2.496 217 1HD LYS 27 2HD LYS 27 5.206 2.455 1.933 218 2HD LYS 27 1HD LYS 27 4.324 2.735 0.430 219 1HE LYS 27 2HE LYS 27 3.647 4.739 2.376 220 2HE LYS 27 1HE LYS 27 5.397 4.653 2.172 221 1HZ LYS 27 1HZ LYS 27 3.808 6.076 0.593 222 2HZ LYS 27 2HZ LYS 27 3.831 4.624 -0.273 223 3HZ LYS 27 3HZ LYS 27 5.280 5.422 0.076 224 H ALA 28 H ALA 28 1.755 0.577 5.882 225 HA ALA 28 HA ALA 28 3.698 -1.097 7.088 226 1HB ALA 28 1HB ALA 28 1.904 0.804 7.977 227 2HB ALA 28 2HB ALA 28 2.964 -0.181 8.987 228 3HB ALA 28 3HB ALA 28 1.303 -0.695 8.687 229 H LYS 29 H LYS 29 0.380 -1.589 6.039 230 HA LYS 29 HA LYS 29 -0.002 -4.113 7.268 231 1HB LYS 29 2HB LYS 29 -1.339 -2.674 4.993 232 2HB LYS 29 1HB LYS 29 -1.777 -4.330 5.389 233 1HG LYS 29 2HG LYS 29 -2.662 -3.739 7.452 234 2HG LYS 29 1HG LYS 29 -1.790 -2.204 7.493 235 1HD LYS 29 2HD LYS 29 -3.393 -2.129 5.189 236 2HD LYS 29 1HD LYS 29 -4.414 -2.777 6.475 237 1HE LYS 29 2HE LYS 29 -4.340 -0.855 7.694 238 2HE LYS 29 1HE LYS 29 -2.731 -0.422 7.116 239 1HZ LYS 29 1HZ LYS 29 -5.333 -0.021 5.784 240 2HZ LYS 29 2HZ LYS 29 -3.895 -0.031 4.894 241 3HZ LYS 29 3HZ LYS 29 -4.127 1.117 6.115 242 H ILE 30 H ILE 30 1.172 -3.112 4.090 243 HA ILE 30 HA ILE 30 1.358 -5.708 2.979 244 HB ILE 30 HB ILE 30 2.911 -3.218 2.264 245 1HG1 ILE 30 2HG1 ILE 30 0.646 -4.276 0.638 246 2HG1 ILE 30 1HG1 ILE 30 0.260 -3.417 2.126 247 1HG2 ILE 30 1HG2 ILE 30 3.567 -4.259 0.273 248 2HG2 ILE 30 2HG2 ILE 30 2.406 -5.572 0.473 249 3HG2 ILE 30 3HG2 ILE 30 3.825 -5.483 1.516 250 1HD1 ILE 30 1HD1 ILE 30 1.036 -1.418 1.335 251 2HD1 ILE 30 2HD1 ILE 30 0.414 -2.150 -0.144 252 3HD1 ILE 30 3HD1 ILE 30 2.145 -2.175 0.192 253 H GLN 31 H GLN 31 3.565 -3.732 4.874 254 HA GLN 31 HA GLN 31 5.911 -5.199 4.490 255 1HB GLN 31 2HB GLN 31 5.875 -2.995 5.561 256 2HB GLN 31 1HB GLN 31 5.017 -3.671 6.939 257 1HG GLN 31 2HG GLN 31 7.025 -5.219 7.210 258 2HG GLN 31 1HG GLN 31 7.852 -4.136 6.092 259 1HE2 GLN 31 1HE2 GLN 31 9.338 -3.436 7.587 260 2HE2 GLN 31 2HE2 GLN 31 8.921 -2.413 8.916 261 H ASP 32 H ASP 32 3.343 -5.553 6.893 262 HA ASP 32 HA ASP 32 4.517 -7.647 8.360 263 1HB ASP 32 2HB ASP 32 2.222 -6.138 8.580 264 2HB ASP 32 1HB ASP 32 1.593 -7.743 8.220 265 H LYS 33 H LYS 33 3.396 -7.638 5.204 266 HA LYS 33 HA LYS 33 2.622 -10.454 5.223 267 1HB LYS 33 2HB LYS 33 2.501 -8.318 3.095 268 2HB LYS 33 1HB LYS 33 2.120 -10.006 2.781 269 1HG LYS 33 2HG LYS 33 0.709 -8.837 5.069 270 2HG LYS 33 1HG LYS 33 0.315 -8.122 3.505 271 1HD LYS 33 2HD LYS 33 0.089 -10.585 2.721 272 2HD LYS 33 1HD LYS 33 -0.045 -10.943 4.444 273 1HE LYS 33 2HE LYS 33 -1.811 -9.110 2.828 274 2HE LYS 33 1HE LYS 33 -2.251 -10.677 3.505 275 1HZ LYS 33 1HZ LYS 33 -2.350 -8.137 4.726 276 2HZ LYS 33 2HZ LYS 33 -1.300 -9.131 5.603 277 3HZ LYS 33 3HZ LYS 33 -2.894 -9.623 5.325 278 H GLU 34 H GLU 34 4.694 -8.418 3.143 279 HA GLU 34 HA GLU 34 6.464 -10.747 2.800 280 1HB GLU 34 2HB GLU 34 6.221 -8.310 1.030 281 2HB GLU 34 1HB GLU 34 7.190 -9.741 0.710 282 1HG GLU 34 2HG GLU 34 4.197 -9.775 0.988 283 2HG GLU 34 1HG GLU 34 5.044 -9.616 -0.550 284 H GLY 35 H GLY 35 6.577 -8.930 5.080 285 1HA GLY 35 2HA GLY 35 8.026 -7.444 6.145 286 2HA GLY 35 1HA GLY 35 9.150 -8.715 5.692 287 H ILE 36 H ILE 36 7.678 -5.723 4.477 288 HA ILE 36 HA ILE 36 10.255 -5.072 3.222 289 HB ILE 36 HB ILE 36 7.528 -4.774 1.969 290 1HG1 ILE 36 2HG1 ILE 36 9.993 -6.379 1.357 291 2HG1 ILE 36 1HG1 ILE 36 8.322 -6.922 1.477 292 1HG2 ILE 36 1HG2 ILE 36 8.693 -2.723 1.568 293 2HG2 ILE 36 2HG2 ILE 36 8.741 -3.680 0.088 294 3HG2 ILE 36 3HG2 ILE 36 10.165 -3.588 1.124 295 1HD1 ILE 36 1HD1 ILE 36 9.721 -5.583 -0.780 296 2HD1 ILE 36 2HD1 ILE 36 7.977 -5.391 -0.601 297 3HD1 ILE 36 3HD1 ILE 36 8.672 -7.001 -0.782 298 HA PRO 37 HA PRO 37 9.536 -1.546 5.951 299 1HB PRO 37 2HB PRO 37 12.027 -0.676 4.585 300 2HB PRO 37 1HB PRO 37 11.664 -0.770 6.311 301 1HG PRO 37 2HG PRO 37 13.263 -2.561 5.153 302 2HG PRO 37 1HG PRO 37 12.114 -3.044 6.415 303 1HD PRO 37 2HD PRO 37 11.939 -3.401 3.451 304 2HD PRO 37 1HD PRO 37 11.446 -4.505 4.753 305 HA PRO 38 HA PRO 38 7.421 1.109 3.091 306 1HB PRO 38 2HB PRO 38 8.029 3.157 5.168 307 2HB PRO 38 1HB PRO 38 6.483 2.734 4.424 308 1HG PRO 38 2HG PRO 38 7.055 1.953 6.905 309 2HG PRO 38 1HG PRO 38 6.184 0.881 5.792 310 1HD PRO 38 2HD PRO 38 9.040 0.799 6.662 311 2HD PRO 38 1HD PRO 38 7.924 -0.539 6.321 312 H ASP 39 H ASP 39 10.466 2.053 4.602 313 HA ASP 39 HA ASP 39 11.097 4.258 3.018 314 1HB ASP 39 2HB ASP 39 12.587 2.376 4.732 315 2HB ASP 39 1HB ASP 39 13.550 3.176 3.494 316 H GLN 40 H GLN 40 11.023 0.912 2.238 317 HA GLN 40 HA GLN 40 12.352 1.476 -0.331 318 1HB GLN 40 2HB GLN 40 13.202 -0.717 -0.402 319 2HB GLN 40 1HB GLN 40 13.471 -0.187 1.253 320 1HG GLN 40 2HG GLN 40 11.622 -1.467 2.041 321 2HG GLN 40 1HG GLN 40 11.114 -1.845 0.396 322 1HE2 GLN 40 1HE2 GLN 40 14.210 -1.972 2.130 323 2HE2 GLN 40 2HE2 GLN 40 14.555 -3.620 1.740 324 H GLN 41 H GLN 41 9.442 1.542 0.695 325 HA GLN 41 HA GLN 41 8.253 -0.376 -1.174 326 1HB GLN 41 2HB GLN 41 7.219 1.164 1.175 327 2HB GLN 41 1HB GLN 41 6.092 0.591 -0.046 328 1HG GLN 41 2HG GLN 41 7.246 -1.698 0.326 329 2HG GLN 41 1HG GLN 41 7.797 -0.975 1.837 330 1HE2 GLN 41 1HE2 GLN 41 6.604 -1.838 3.384 331 2HE2 GLN 41 2HE2 GLN 41 4.880 -1.941 3.393 332 H ARG 42 H ARG 42 7.062 0.226 -2.922 333 HA ARG 42 HA ARG 42 6.588 3.074 -3.395 334 1HB ARG 42 2HB ARG 42 8.716 2.597 -4.490 335 2HB ARG 42 1HB ARG 42 8.000 1.234 -5.336 336 1HG ARG 42 2HG ARG 42 6.944 2.546 -6.851 337 2HG ARG 42 1HG ARG 42 6.715 3.873 -5.710 338 1HD ARG 42 2HD ARG 42 9.151 4.346 -5.864 339 2HD ARG 42 1HD ARG 42 9.270 3.114 -7.119 340 HE ARG 42 HE ARG 42 7.284 4.958 -7.842 341 1HH1 ARG 42 2HH1 ARG 42 10.739 4.766 -7.452 342 2HH1 ARG 42 1HH1 ARG 42 11.071 5.978 -8.645 343 1HH2 ARG 42 1HH2 ARG 42 7.710 6.555 -9.415 344 2HH2 ARG 42 2HH2 ARG 42 9.349 6.993 -9.762 345 H LEU 43 H LEU 43 4.424 3.078 -3.500 346 HA LEU 43 HA LEU 43 3.075 0.957 -5.012 347 1HB LEU 43 2HB LEU 43 1.747 3.040 -3.294 348 2HB LEU 43 1HB LEU 43 1.088 1.510 -3.843 349 HG LEU 43 HG LEU 43 3.367 1.765 -1.881 350 1HD1 LEU 43 1HD1 LEU 43 1.696 2.495 -0.539 351 2HD1 LEU 43 2HD1 LEU 43 1.367 0.767 -0.422 352 3HD1 LEU 43 3HD1 LEU 43 0.432 1.769 -1.530 353 1HD2 LEU 43 1HD2 LEU 43 3.073 -0.576 -1.508 354 2HD2 LEU 43 2HD2 LEU 43 3.245 -0.325 -3.245 355 3HD2 LEU 43 3HD2 LEU 43 1.651 -0.619 -2.550 356 H ILE 44 H ILE 44 2.326 1.349 -6.981 357 HA ILE 44 HA ILE 44 1.953 4.155 -7.807 358 HB ILE 44 HB ILE 44 2.489 1.874 -9.696 359 1HG1 ILE 44 2HG1 ILE 44 4.322 2.237 -7.939 360 2HG1 ILE 44 1HG1 ILE 44 4.809 2.294 -9.630 361 1HG2 ILE 44 1HG2 ILE 44 3.493 4.163 -10.791 362 2HG2 ILE 44 2HG2 ILE 44 2.087 4.762 -9.911 363 3HG2 ILE 44 3HG2 ILE 44 1.895 3.495 -11.122 364 1HD1 ILE 44 1HD1 ILE 44 5.589 4.101 -7.866 365 2HD1 ILE 44 2HD1 ILE 44 4.065 4.851 -8.343 366 3HD1 ILE 44 3HD1 ILE 44 5.295 4.503 -9.559 367 H PHE 45 H PHE 45 -0.187 4.512 -7.581 368 HA PHE 45 HA PHE 45 -2.049 2.535 -8.709 369 1HB PHE 45 2HB PHE 45 -2.678 2.875 -6.480 370 2HB PHE 45 1HB PHE 45 -2.333 4.600 -6.547 371 HD1 PHE 45 HD1 PHE 45 -4.817 2.032 -6.997 372 HD2 PHE 45 HD2 PHE 45 -3.874 6.112 -7.805 373 HE1 PHE 45 HE1 PHE 45 -7.197 2.488 -7.449 374 HE2 PHE 45 HE2 PHE 45 -6.253 6.575 -8.259 375 HZ PHE 45 HZ PHE 45 -7.916 4.761 -8.080 376 H ALA 46 H ALA 46 -3.141 3.009 -10.502 377 HA ALA 46 HA ALA 46 -3.778 4.126 -12.387 378 1HB ALA 46 1HB ALA 46 -5.492 4.934 -10.906 379 2HB ALA 46 2HB ALA 46 -4.992 6.248 -11.971 380 3HB ALA 46 3HB ALA 46 -4.428 6.204 -10.301 381 H GLY 47 H GLY 47 -1.131 4.161 -12.339 382 1HA GLY 47 2HA GLY 47 0.747 5.272 -13.054 383 2HA GLY 47 1HA GLY 47 -0.379 6.300 -13.927 384 H LYS 48 H LYS 48 -0.423 6.077 -10.446 385 HA LYS 48 HA LYS 48 0.983 8.642 -10.227 386 1HB LYS 48 2HB LYS 48 -1.774 8.017 -9.178 387 2HB LYS 48 1HB LYS 48 -0.798 9.332 -8.540 388 1HG LYS 48 2HG LYS 48 -0.931 9.442 -11.418 389 2HG LYS 48 1HG LYS 48 -2.542 9.428 -10.698 390 1HD LYS 48 2HD LYS 48 -0.299 11.314 -9.978 391 2HD LYS 48 1HD LYS 48 -1.706 11.711 -10.965 392 1HE LYS 48 2HE LYS 48 -2.515 10.533 -8.465 393 2HE LYS 48 1HE LYS 48 -1.459 11.918 -8.185 394 1HZ LYS 48 1HZ LYS 48 -2.981 13.350 -8.984 395 2HZ LYS 48 2HZ LYS 48 -4.076 12.127 -8.578 396 3HZ LYS 48 3HZ LYS 48 -3.543 12.288 -10.175 397 H GLN 49 H GLN 49 2.374 8.716 -8.568 398 HA GLN 49 HA GLN 49 2.747 6.396 -6.936 399 1HB GLN 49 2HB GLN 49 4.708 7.560 -7.630 400 2HB GLN 49 1HB GLN 49 4.096 9.092 -7.020 401 1HG GLN 49 2HG GLN 49 4.692 8.641 -4.886 402 2HG GLN 49 1HG GLN 49 4.408 6.910 -5.053 403 1HE2 GLN 49 1HE2 GLN 49 6.309 6.183 -4.255 404 2HE2 GLN 49 2HE2 GLN 49 7.846 6.482 -4.988 405 H LEU 50 H LEU 50 2.161 6.040 -4.870 406 HA LEU 50 HA LEU 50 0.313 7.914 -3.654 407 1HB LEU 50 2HB LEU 50 1.242 5.275 -2.535 408 2HB LEU 50 1HB LEU 50 -0.209 6.165 -2.115 409 HG LEU 50 HG LEU 50 0.335 4.760 -4.731 410 1HD1 LEU 50 1HD1 LEU 50 -0.336 3.520 -2.522 411 2HD1 LEU 50 2HD1 LEU 50 -1.109 3.113 -4.055 412 3HD1 LEU 50 3HD1 LEU 50 -1.936 4.157 -2.901 413 1HD2 LEU 50 1HD2 LEU 50 -1.365 6.968 -4.177 414 2HD2 LEU 50 2HD2 LEU 50 -2.370 5.547 -4.453 415 3HD2 LEU 50 3HD2 LEU 50 -1.201 6.049 -5.673 416 H GLU 51 H GLU 51 0.792 9.303 -2.084 417 HA GLU 51 HA GLU 51 3.464 9.167 -0.881 418 1HB GLU 51 2HB GLU 51 1.527 11.390 -1.403 419 2HB GLU 51 1HB GLU 51 2.717 11.568 -0.121 420 1HG GLU 51 2HG GLU 51 4.519 11.256 -1.696 421 2HG GLU 51 1HG GLU 51 3.366 10.949 -2.994 422 H ASP 52 H ASP 52 3.722 9.614 1.389 423 HA ASP 52 HA ASP 52 1.828 8.210 2.993 424 1HB ASP 52 2HB ASP 52 4.076 9.889 4.078 425 2HB ASP 52 1HB ASP 52 3.377 8.420 4.753 426 H GLY 53 H GLY 53 1.582 11.214 1.778 427 1HA GLY 53 2HA GLY 53 0.392 12.353 4.220 428 2HA GLY 53 1HA GLY 53 0.923 13.285 2.827 429 H ARG 54 H ARG 54 -0.473 10.721 1.459 430 HA ARG 54 HA ARG 54 -3.094 12.053 1.309 431 1HB ARG 54 2HB ARG 54 -2.023 10.087 -0.702 432 2HB ARG 54 1HB ARG 54 -3.319 11.256 -0.905 433 1HG ARG 54 2HG ARG 54 -0.709 12.420 -0.244 434 2HG ARG 54 1HG ARG 54 -0.786 11.588 -1.799 435 1HD ARG 54 2HD ARG 54 -1.350 13.876 -2.172 436 2HD ARG 54 1HD ARG 54 -2.827 12.925 -2.327 437 HE ARG 54 HE ARG 54 -3.694 14.114 -0.592 438 1HH1 ARG 54 2HH1 ARG 54 -0.222 14.306 -0.429 439 2HH1 ARG 54 1HH1 ARG 54 -0.215 15.402 0.912 440 1HH2 ARG 54 1HH2 ARG 54 -3.698 15.557 1.175 441 2HH2 ARG 54 2HH2 ARG 54 -2.191 16.113 1.824 442 H THR 55 H THR 55 -4.856 10.394 0.556 443 HA THR 55 HA THR 55 -4.615 7.974 2.222 444 HB THR 55 HB THR 55 -6.818 8.188 3.015 445 HG1 THR 55 HG1 THR 55 -8.352 9.269 1.975 446 1HG2 THR 55 1HG2 THR 55 -5.292 9.739 4.120 447 2HG2 THR 55 2HG2 THR 55 -6.916 10.422 4.034 448 3HG2 THR 55 3HG2 THR 55 -5.665 10.978 2.921 449 H LEU 56 H LEU 56 -6.393 6.344 1.636 450 HA LEU 56 HA LEU 56 -6.038 5.550 -1.037 451 1HB LEU 56 2HB LEU 56 -8.350 4.609 0.620 452 2HB LEU 56 1HB LEU 56 -7.392 3.712 -0.543 453 HG LEU 56 HG LEU 56 -6.735 4.404 2.297 454 1HD1 LEU 56 1HD1 LEU 56 -5.885 1.835 1.472 455 2HD1 LEU 56 2HD1 LEU 56 -7.520 2.080 0.860 456 3HD1 LEU 56 3HD1 LEU 56 -7.189 2.255 2.583 457 1HD2 LEU 56 1HD2 LEU 56 -4.841 4.003 0.031 458 2HD2 LEU 56 2HD2 LEU 56 -4.437 3.353 1.619 459 3HD2 LEU 56 3HD2 LEU 56 -4.725 5.082 1.421 460 H SER 57 H SER 57 -8.845 6.990 0.598 461 HA SER 57 HA SER 57 -10.530 7.033 -1.656 462 1HB SER 57 2HB SER 57 -12.028 8.197 -0.335 463 2HB SER 57 1HB SER 57 -11.013 7.461 0.906 464 HG SER 57 HG SER 57 -11.349 9.707 1.257 465 H ASP 58 H ASP 58 -8.017 9.181 -0.547 466 HA ASP 58 HA ASP 58 -8.660 11.458 -2.057 467 1HB ASP 58 2HB ASP 58 -6.028 10.404 -1.022 468 2HB ASP 58 1HB ASP 58 -6.166 11.942 -1.868 469 H TYR 59 H TYR 59 -7.210 8.433 -2.933 470 HA TYR 59 HA TYR 59 -6.444 9.467 -5.566 471 1HB TYR 59 2HB TYR 59 -5.820 6.898 -4.114 472 2HB TYR 59 1HB TYR 59 -5.452 7.127 -5.819 473 HD1 TYR 59 HD1 TYR 59 -3.977 9.177 -6.421 474 HD2 TYR 59 HD2 TYR 59 -4.283 7.552 -2.491 475 HE1 TYR 59 HE1 TYR 59 -1.843 10.250 -5.817 476 HE2 TYR 59 HE2 TYR 59 -2.151 8.622 -1.877 477 HH TYR 59 HH TYR 59 -0.496 10.822 -4.074 478 H ASN 60 H ASN 60 -9.222 8.733 -4.419 479 HA ASN 60 HA ASN 60 -11.172 7.843 -5.185 480 1HB ASN 60 2HB ASN 60 -9.620 8.082 -7.762 481 2HB ASN 60 1HB ASN 60 -11.294 7.538 -7.716 482 1HD2 ASN 60 1HD2 ASN 60 -10.915 9.654 -9.181 483 2HD2 ASN 60 2HD2 ASN 60 -11.435 11.103 -8.397 484 H ILE 61 H ILE 61 -9.481 6.009 -3.998 485 HA ILE 61 HA ILE 61 -9.295 3.660 -5.677 486 HB ILE 61 HB ILE 61 -8.769 4.010 -2.723 487 1HG1 ILE 61 2HG1 ILE 61 -6.905 3.822 -5.101 488 2HG1 ILE 61 1HG1 ILE 61 -7.196 5.252 -4.114 489 1HG2 ILE 61 1HG2 ILE 61 -7.923 1.685 -4.426 490 2HG2 ILE 61 2HG2 ILE 61 -9.435 1.690 -3.519 491 3HG2 ILE 61 3HG2 ILE 61 -7.895 1.827 -2.668 492 1HD1 ILE 61 1HD1 ILE 61 -6.288 3.974 -2.164 493 2HD1 ILE 61 2HD1 ILE 61 -5.124 4.331 -3.440 494 3HD1 ILE 61 3HD1 ILE 61 -5.813 2.714 -3.302 495 H GLN 62 H GLN 62 -10.677 1.972 -5.743 496 HA GLN 62 HA GLN 62 -13.140 2.214 -4.177 497 1HB GLN 62 2HB GLN 62 -12.440 0.808 -6.739 498 2HB GLN 62 1HB GLN 62 -13.886 0.371 -5.840 499 1HG GLN 62 2HG GLN 62 -14.193 2.028 -7.708 500 2HG GLN 62 1HG GLN 62 -14.842 2.500 -6.138 501 1HE2 GLN 62 1HE2 GLN 62 -12.330 3.048 -8.488 502 2HE2 GLN 62 2HE2 GLN 62 -11.804 4.571 -7.867 503 H LYS 63 H LYS 63 -14.166 -0.095 -3.786 504 HA LYS 63 HA LYS 63 -12.446 -1.380 -1.912 505 1HB LYS 63 2HB LYS 63 -14.464 -3.024 -1.833 506 2HB LYS 63 1HB LYS 63 -14.656 -1.385 -1.223 507 1HG LYS 63 2HG LYS 63 -16.071 -0.781 -2.883 508 2HG LYS 63 1HG LYS 63 -15.303 -1.834 -4.074 509 1HD LYS 63 2HD LYS 63 -17.183 -3.055 -3.796 510 2HD LYS 63 1HD LYS 63 -16.310 -3.683 -2.397 511 1HE LYS 63 2HE LYS 63 -17.386 -1.885 -1.028 512 2HE LYS 63 1HE LYS 63 -18.372 -1.487 -2.435 513 1HZ LYS 63 1HZ LYS 63 -18.546 -4.243 -2.003 514 2HZ LYS 63 2HZ LYS 63 -19.768 -3.083 -1.853 515 3HZ LYS 63 3HZ LYS 63 -18.810 -3.479 -0.517 516 H GLU 64 H GLU 64 -12.474 -1.628 -5.180 517 HA GLU 64 HA GLU 64 -11.458 -4.382 -5.059 518 1HB GLU 64 2HB GLU 64 -13.362 -3.222 -7.090 519 2HB GLU 64 1HB GLU 64 -12.432 -4.685 -7.387 520 1HG GLU 64 2HG GLU 64 -13.488 -5.748 -5.459 521 2HG GLU 64 1HG GLU 64 -14.423 -4.283 -5.166 522 H SER 65 H SER 65 -10.416 -1.469 -5.289 523 HA SER 65 HA SER 65 -9.134 -1.316 -7.827 524 1HB SER 65 2HB SER 65 -8.559 0.115 -5.222 525 2HB SER 65 1HB SER 65 -7.805 0.511 -6.766 526 HG SER 65 HG SER 65 -10.434 0.423 -7.129 527 H THR 66 H THR 66 -6.926 -1.598 -8.327 528 HA THR 66 HA THR 66 -5.474 -3.365 -6.466 529 HB THR 66 HB THR 66 -5.475 -3.467 -9.489 530 HG1 THR 66 HG1 THR 66 -7.294 -4.415 -8.215 531 1HG2 THR 66 1HG2 THR 66 -3.271 -4.003 -8.711 532 2HG2 THR 66 2HG2 THR 66 -4.076 -5.513 -9.136 533 3HG2 THR 66 3HG2 THR 66 -3.917 -5.045 -7.443 534 H ILE 67 H ILE 67 -3.401 -2.875 -6.017 535 HA ILE 67 HA ILE 67 -2.190 -0.618 -7.478 536 HB ILE 67 HB ILE 67 -1.786 -1.272 -4.558 537 1HG1 ILE 67 2HG1 ILE 67 -2.955 1.269 -4.860 538 2HG1 ILE 67 1HG1 ILE 67 -3.879 0.193 -5.905 539 1HG2 ILE 67 1HG2 ILE 67 -0.624 0.731 -6.425 540 2HG2 ILE 67 2HG2 ILE 67 0.143 -0.182 -5.126 541 3HG2 ILE 67 3HG2 ILE 67 -0.889 1.197 -4.744 542 1HD1 ILE 67 1HD1 ILE 67 -4.942 0.227 -3.792 543 2HD1 ILE 67 2HD1 ILE 67 -3.420 -0.069 -2.950 544 3HD1 ILE 67 3HD1 ILE 67 -4.139 -1.335 -3.945 545 H HIS 68 H HIS 68 0.049 -0.665 -7.825 546 HA HIS 68 HA HIS 68 1.196 -3.362 -7.750 547 1HB HIS 68 2HB HIS 68 1.670 -0.938 -9.443 548 2HB HIS 68 1HB HIS 68 2.948 -2.135 -9.277 549 HD1 HIS 68 HD1 HIS 68 2.621 -4.390 -10.448 550 HD2 HIS 68 HD2 HIS 68 -0.596 -1.797 -10.887 551 HE1 HIS 68 HE1 HIS 68 1.176 -5.409 -12.236 552 HE2 HIS 68 HE2 HIS 68 -0.716 -3.776 -12.549 553 H LEU 69 H LEU 69 2.918 -3.864 -6.536 554 HA LEU 69 HA LEU 69 4.071 -1.738 -4.877 555 1HB LEU 69 2HB LEU 69 3.138 -3.544 -3.606 556 2HB LEU 69 1HB LEU 69 4.003 -4.734 -4.561 557 HG LEU 69 HG LEU 69 6.146 -3.666 -3.655 558 1HD1 LEU 69 1HD1 LEU 69 6.088 -2.229 -1.875 559 2HD1 LEU 69 2HD1 LEU 69 4.478 -2.742 -1.370 560 3HD1 LEU 69 3HD1 LEU 69 4.669 -1.687 -2.770 561 1HD2 LEU 69 1HD2 LEU 69 4.666 -5.774 -2.827 562 2HD2 LEU 69 2HD2 LEU 69 4.745 -4.821 -1.346 563 3HD2 LEU 69 3HD2 LEU 69 6.230 -5.330 -2.146 564 H VAL 70 H VAL 70 6.141 -1.133 -5.068 565 HA VAL 70 HA VAL 70 7.979 -2.849 -6.593 566 HB VAL 70 HB VAL 70 8.450 0.015 -6.987 567 1HG1 VAL 70 1HG1 VAL 70 8.337 -2.433 -8.733 568 2HG1 VAL 70 2HG1 VAL 70 9.756 -1.526 -8.209 569 3HG1 VAL 70 3HG1 VAL 70 8.636 -0.817 -9.372 570 1HG2 VAL 70 1HG2 VAL 70 6.651 0.079 -8.816 571 2HG2 VAL 70 2HG2 VAL 70 6.138 0.326 -7.147 572 3HG2 VAL 70 3HG2 VAL 70 5.887 -1.237 -7.923 573 H LEU 71 H LEU 71 10.224 -2.482 -6.167 574 HA LEU 71 HA LEU 71 10.726 -1.815 -3.415 575 1HB LEU 71 2HB LEU 71 12.231 -3.043 -5.644 576 2HB LEU 71 1HB LEU 71 13.195 -2.178 -4.462 577 HG LEU 71 HG LEU 71 13.071 -4.557 -3.931 578 1HD1 LEU 71 1HD1 LEU 71 13.076 -2.689 -2.165 579 2HD1 LEU 71 2HD1 LEU 71 12.680 -4.330 -1.649 580 3HD1 LEU 71 3HD1 LEU 71 11.395 -3.146 -1.888 581 1HD2 LEU 71 1HD2 LEU 71 11.181 -5.773 -3.862 582 2HD2 LEU 71 2HD2 LEU 71 10.549 -4.486 -4.889 583 3HD2 LEU 71 3HD2 LEU 71 10.237 -4.462 -3.153 584 H ARG 72 H ARG 72 12.945 -0.896 -5.956 585 HA ARG 72 HA ARG 72 12.604 1.650 -6.548 586 1HB ARG 72 2HB ARG 72 13.744 2.976 -4.712 587 2HB ARG 72 1HB ARG 72 12.115 2.411 -4.365 588 1HG ARG 72 2HG ARG 72 12.824 0.924 -2.778 589 2HG ARG 72 1HG ARG 72 14.409 0.717 -3.523 590 1HD ARG 72 2HD ARG 72 14.217 2.026 -1.297 591 2HD ARG 72 1HD ARG 72 15.250 2.655 -2.581 592 HE ARG 72 HE ARG 72 12.565 3.679 -2.652 593 1HH1 ARG 72 2HH1 ARG 72 15.745 4.075 -1.292 594 2HH1 ARG 72 1HH1 ARG 72 15.534 5.763 -0.959 595 1HH2 ARG 72 1HH2 ARG 72 12.277 5.900 -2.222 596 2HH2 ARG 72 2HH2 ARG 72 13.562 6.800 -1.489 597 H LEU 73 H LEU 73 14.209 2.113 -7.891 598 HA LEU 73 HA LEU 73 16.741 0.696 -7.600 599 1HB LEU 73 2HB LEU 73 15.187 1.794 -9.811 600 2HB LEU 73 1HB LEU 73 16.890 2.193 -9.921 601 HG LEU 73 HG LEU 73 16.006 -0.640 -9.464 602 1HD1 LEU 73 1HD1 LEU 73 15.081 0.715 -11.605 603 2HD1 LEU 73 2HD1 LEU 73 15.469 -1.005 -11.619 604 3HD1 LEU 73 3HD1 LEU 73 16.641 0.168 -12.220 605 1HD2 LEU 73 1HD2 LEU 73 18.455 0.481 -9.398 606 2HD2 LEU 73 2HD2 LEU 73 18.346 0.058 -11.107 607 3HD2 LEU 73 3HD2 LEU 73 18.150 -1.190 -9.876 608 H ARG 74 H ARG 74 17.868 1.798 -6.037 609 HA ARG 74 HA ARG 74 18.068 4.636 -5.954 610 1HB ARG 74 2HB ARG 74 19.456 2.374 -4.567 611 2HB ARG 74 1HB ARG 74 20.113 3.999 -4.439 612 1HG ARG 74 2HG ARG 74 17.571 4.530 -3.826 613 2HG ARG 74 1HG ARG 74 17.647 2.851 -3.288 614 1HD ARG 74 2HD ARG 74 18.988 5.256 -2.216 615 2HD ARG 74 1HD ARG 74 18.374 3.831 -1.378 616 HE ARG 74 HE ARG 74 21.031 4.222 -2.438 617 1HH1 ARG 74 2HH1 ARG 74 18.656 1.923 -1.345 618 2HH1 ARG 74 1HH1 ARG 74 19.822 0.694 -0.982 619 1HH2 ARG 74 1HH2 ARG 74 22.576 2.612 -1.964 620 2HH2 ARG 74 2HH2 ARG 74 22.050 1.086 -1.333 621 H GLY 75 H GLY 75 19.330 5.947 -7.102 622 1HA GLY 75 2HA GLY 75 21.914 5.904 -7.723 623 2HA GLY 75 1HA GLY 75 21.287 4.777 -8.917 624 H GLY 76 HN GLY 76 20.131 5.536 -10.665 625 1HA GLY 76 2HA GLY 76 18.751 7.557 -11.405 626 2HA GLY 76 1HA GLY 76 20.197 8.465 -10.994 Start of MODEL 20 1 2H MET 1 2H MET 1 -11.638 -2.041 2.802 2 3H MET 1 3H MET 1 -12.999 -2.687 3.571 3 1H MET 1 1H MET 1 -13.163 -1.360 2.533 4 HA MET 1 HA MET 1 -13.703 -3.809 1.777 5 1HB MET 1 2HB MET 1 -13.484 -3.062 -0.494 6 2HB MET 1 1HB MET 1 -13.967 -1.684 0.484 7 1HG MET 1 2HG MET 1 -11.068 -2.059 0.099 8 2HG MET 1 1HG MET 1 -12.000 -1.604 -1.327 9 1HE MET 1 1HE MET 1 -11.650 1.588 -1.545 10 2HE MET 1 2HE MET 1 -10.642 0.146 -1.662 11 3HE MET 1 3HE MET 1 -10.197 1.445 -0.556 12 H GLN 2 H GLN 2 -12.656 -5.210 0.060 13 HA GLN 2 HA GLN 2 -9.967 -5.906 0.989 14 1HB GLN 2 2HB GLN 2 -12.200 -7.423 -0.289 15 2HB GLN 2 1HB GLN 2 -10.554 -8.002 -0.509 16 1HG GLN 2 2HG GLN 2 -11.581 -7.386 2.226 17 2HG GLN 2 1HG GLN 2 -11.980 -8.913 1.442 18 1HE2 GLN 2 1HE2 GLN 2 -10.313 -10.376 0.960 19 2HE2 GLN 2 2HE2 GLN 2 -8.788 -10.301 1.768 20 H VAL 3 H VAL 3 -8.383 -5.020 -0.140 21 HA VAL 3 HA VAL 3 -8.703 -4.631 -3.032 22 HB VAL 3 HB VAL 3 -6.749 -3.150 -2.885 23 1HG1 VAL 3 1HG1 VAL 3 -7.908 -1.337 -2.082 24 2HG1 VAL 3 2HG1 VAL 3 -8.553 -2.224 -0.700 25 3HG1 VAL 3 3HG1 VAL 3 -9.221 -2.492 -2.311 26 1HG2 VAL 3 1HG2 VAL 3 -6.847 -3.289 0.096 27 2HG2 VAL 3 2HG2 VAL 3 -5.542 -2.749 -0.961 28 3HG2 VAL 3 3HG2 VAL 3 -5.894 -4.469 -0.802 29 H PHE 4 H PHE 4 -6.600 -4.891 -4.307 30 HA PHE 4 HA PHE 4 -5.192 -7.315 -3.396 31 1HB PHE 4 2HB PHE 4 -5.687 -6.664 -6.295 32 2HB PHE 4 1HB PHE 4 -5.209 -8.202 -5.586 33 HD1 PHE 4 HD1 PHE 4 -8.009 -5.741 -5.330 34 HD2 PHE 4 HD2 PHE 4 -6.815 -9.833 -5.449 35 HE1 PHE 4 HE1 PHE 4 -10.375 -6.430 -5.245 36 HE2 PHE 4 HE2 PHE 4 -9.179 -10.529 -5.366 37 HZ PHE 4 HZ PHE 4 -10.961 -8.825 -5.264 38 H LEU 5 H LEU 5 -2.992 -7.413 -3.703 39 HA LEU 5 HA LEU 5 -1.732 -4.970 -4.767 40 1HB LEU 5 2HB LEU 5 -1.633 -5.631 -2.202 41 2HB LEU 5 1HB LEU 5 -0.336 -6.672 -2.760 42 HG LEU 5 HG LEU 5 0.364 -4.300 -3.909 43 1HD1 LEU 5 1HD1 LEU 5 -1.246 -2.923 -2.918 44 2HD1 LEU 5 2HD1 LEU 5 0.198 -2.688 -1.936 45 3HD1 LEU 5 3HD1 LEU 5 -1.103 -3.727 -1.356 46 1HD2 LEU 5 1HD2 LEU 5 1.741 -5.916 -2.583 47 2HD2 LEU 5 2HD2 LEU 5 1.138 -5.136 -1.121 48 3HD2 LEU 5 3HD2 LEU 5 2.102 -4.216 -2.277 49 H LYS 6 H LYS 6 -0.212 -5.201 -6.298 50 HA LYS 6 HA LYS 6 0.443 -7.929 -7.145 51 1HB LYS 6 2HB LYS 6 -0.364 -5.691 -8.573 52 2HB LYS 6 1HB LYS 6 1.364 -5.783 -8.887 53 1HG LYS 6 2HG LYS 6 1.102 -7.490 -10.278 54 2HG LYS 6 1HG LYS 6 0.119 -8.377 -9.112 55 1HD LYS 6 2HD LYS 6 -1.797 -6.860 -9.785 56 2HD LYS 6 1HD LYS 6 -0.781 -6.330 -11.125 57 1HE LYS 6 2HE LYS 6 -1.732 -9.137 -10.569 58 2HE LYS 6 1HE LYS 6 -2.257 -8.083 -11.881 59 1HZ LYS 6 1HZ LYS 6 0.594 -8.512 -11.771 60 2HZ LYS 6 2HZ LYS 6 -0.459 -8.575 -13.093 61 3HZ LYS 6 3HZ LYS 6 -0.301 -9.916 -12.075 62 H THR 7 H THR 7 2.488 -8.704 -7.173 63 HA THR 7 HA THR 7 4.573 -6.967 -6.041 64 HB THR 7 HB THR 7 5.767 -9.136 -5.551 65 HG1 THR 7 HG1 THR 7 4.609 -11.031 -5.744 66 1HG2 THR 7 1HG2 THR 7 4.687 -8.071 -3.731 67 2HG2 THR 7 2HG2 THR 7 4.184 -9.761 -3.667 68 3HG2 THR 7 3HG2 THR 7 3.088 -8.538 -4.310 69 H LEU 8 H LEU 8 6.867 -7.919 -6.723 70 HA LEU 8 HA LEU 8 7.090 -7.387 -9.524 71 1HB LEU 8 2HB LEU 8 9.272 -8.436 -7.736 72 2HB LEU 8 1HB LEU 8 9.442 -7.489 -9.202 73 HG LEU 8 HG LEU 8 8.351 -6.504 -6.566 74 1HD1 LEU 8 1HD1 LEU 8 10.917 -6.916 -7.075 75 2HD1 LEU 8 2HD1 LEU 8 10.357 -5.505 -6.175 76 3HD1 LEU 8 3HD1 LEU 8 10.747 -5.361 -7.890 77 1HD2 LEU 8 1HD2 LEU 8 7.689 -4.587 -7.544 78 2HD2 LEU 8 2HD2 LEU 8 7.568 -5.597 -8.984 79 3HD2 LEU 8 3HD2 LEU 8 9.003 -4.608 -8.719 80 H THR 9 H THR 9 6.372 -10.160 -7.809 81 HA THR 9 HA THR 9 7.618 -11.954 -9.764 82 HB THR 9 HB THR 9 6.603 -13.741 -8.184 83 HG1 THR 9 HG1 THR 9 6.248 -12.960 -6.065 84 1HG2 THR 9 1HG2 THR 9 8.923 -13.597 -8.172 85 2HG2 THR 9 2HG2 THR 9 8.513 -13.258 -6.490 86 3HG2 THR 9 3HG2 THR 9 8.917 -11.934 -7.584 87 H GLY 10 H GLY 10 4.618 -10.509 -8.972 88 1HA GLY 10 2HA GLY 10 2.791 -10.523 -10.493 89 2HA GLY 10 1HA GLY 10 3.326 -12.091 -11.078 90 H LYS 11 H LYS 11 3.098 -11.384 -7.668 91 HA LYS 11 HA LYS 11 0.951 -13.372 -7.467 92 1HB LYS 11 2HB LYS 11 3.329 -12.983 -6.017 93 2HB LYS 11 1HB LYS 11 2.026 -12.544 -4.922 94 1HG LYS 11 2HG LYS 11 1.040 -14.840 -5.909 95 2HG LYS 11 1HG LYS 11 2.770 -15.169 -6.028 96 1HD LYS 11 2HD LYS 11 1.407 -14.192 -3.522 97 2HD LYS 11 1HD LYS 11 1.721 -15.893 -3.877 98 1HE LYS 11 2HE LYS 11 4.132 -15.375 -4.044 99 2HE LYS 11 1HE LYS 11 3.781 -13.707 -3.592 100 1HZ LYS 11 1HZ LYS 11 4.036 -16.018 -1.934 101 2HZ LYS 11 2HZ LYS 11 2.578 -15.210 -1.652 102 3HZ LYS 11 3HZ LYS 11 4.045 -14.381 -1.505 103 H THR 12 H THR 12 -1.015 -12.894 -6.678 104 HA THR 12 HA THR 12 -1.554 -10.081 -6.045 105 HB THR 12 HB THR 12 -3.470 -12.310 -6.760 106 HG1 THR 12 HG1 THR 12 -2.396 -11.659 -8.591 107 1HG2 THR 12 1HG2 THR 12 -4.331 -10.477 -5.212 108 2HG2 THR 12 2HG2 THR 12 -5.222 -10.729 -6.713 109 3HG2 THR 12 3HG2 THR 12 -4.103 -9.373 -6.569 110 H VAL 13 H VAL 13 -1.887 -9.478 -4.014 111 HA VAL 13 HA VAL 13 -2.633 -11.539 -2.044 112 HB VAL 13 HB VAL 13 -1.511 -10.226 -0.341 113 1HG1 VAL 13 1HG1 VAL 13 -0.230 -11.868 -1.717 114 2HG1 VAL 13 2HG1 VAL 13 0.759 -10.597 -0.997 115 3HG1 VAL 13 3HG1 VAL 13 0.331 -10.520 -2.706 116 1HG2 VAL 13 1HG2 VAL 13 -1.605 -8.173 -2.379 117 2HG2 VAL 13 2HG2 VAL 13 0.010 -8.346 -1.692 118 3HG2 VAL 13 3HG2 VAL 13 -1.367 -8.026 -0.638 119 H THR 14 H THR 14 -4.363 -11.213 -0.749 120 HA THR 14 HA THR 14 -5.988 -8.835 -1.297 121 HB THR 14 HB THR 14 -7.301 -10.805 0.362 122 HG1 THR 14 HG1 THR 14 -7.247 -12.532 -1.061 123 1HG2 THR 14 1HG2 THR 14 -8.798 -10.812 -1.760 124 2HG2 THR 14 2HG2 THR 14 -7.760 -9.488 -2.290 125 3HG2 THR 14 3HG2 THR 14 -8.685 -9.340 -0.795 126 H ILE 15 H ILE 15 -6.341 -7.320 0.198 127 HA ILE 15 HA ILE 15 -5.874 -7.944 3.023 128 HB ILE 15 HB ILE 15 -4.668 -5.561 1.612 129 1HG1 ILE 15 2HG1 ILE 15 -3.390 -7.985 2.896 130 2HG1 ILE 15 1HG1 ILE 15 -3.426 -7.616 1.174 131 1HG2 ILE 15 1HG2 ILE 15 -5.375 -4.899 3.795 132 2HG2 ILE 15 2HG2 ILE 15 -3.626 -5.125 3.837 133 3HG2 ILE 15 3HG2 ILE 15 -4.691 -6.356 4.516 134 1HD1 ILE 15 1HD1 ILE 15 -1.829 -6.349 3.345 135 2HD1 ILE 15 2HD1 ILE 15 -2.208 -5.441 1.881 136 3HD1 ILE 15 3HD1 ILE 15 -1.312 -6.956 1.772 137 H GLU 16 H GLU 16 -6.864 -6.436 4.499 138 HA GLU 16 HA GLU 16 -9.233 -5.177 3.324 139 1HB GLU 16 2HB GLU 16 -10.059 -5.143 5.691 140 2HB GLU 16 1HB GLU 16 -9.763 -6.752 5.045 141 1HG GLU 16 2HG GLU 16 -7.368 -5.910 6.264 142 2HG GLU 16 1HG GLU 16 -8.680 -5.517 7.375 143 H VAL 17 H VAL 17 -9.366 -3.049 3.144 144 HA VAL 17 HA VAL 17 -7.926 -1.339 5.032 145 HB VAL 17 HB VAL 17 -6.924 0.020 3.383 146 1HG1 VAL 17 1HG1 VAL 17 -5.487 -1.536 2.138 147 2HG1 VAL 17 2HG1 VAL 17 -6.582 -2.857 2.544 148 3HG1 VAL 17 3HG1 VAL 17 -5.691 -2.026 3.819 149 1HG2 VAL 17 1HG2 VAL 17 -8.817 -1.341 1.541 150 2HG2 VAL 17 2HG2 VAL 17 -7.279 -0.779 0.886 151 3HG2 VAL 17 3HG2 VAL 17 -8.379 0.362 1.658 152 H GLU 18 H GLU 18 -8.620 0.975 4.824 153 HA GLU 18 HA GLU 18 -11.424 1.153 3.940 154 1HB GLU 18 2HB GLU 18 -10.198 2.415 6.399 155 2HB GLU 18 1HB GLU 18 -11.854 2.643 5.853 156 1HG GLU 18 2HG GLU 18 -12.201 0.190 6.118 157 2HG GLU 18 1HG GLU 18 -10.598 0.099 6.845 158 HA PRO 19 HA PRO 19 -10.334 4.579 1.404 159 1HB PRO 19 2HB PRO 19 -12.820 5.835 2.460 160 2HB PRO 19 1HB PRO 19 -12.321 5.560 0.789 161 1HG PRO 19 2HG PRO 19 -14.191 4.036 1.918 162 2HG PRO 19 1HG PRO 19 -12.987 3.336 0.818 163 1HD PRO 19 2HD PRO 19 -13.138 3.208 3.799 164 2HD PRO 19 1HD PRO 19 -12.607 1.971 2.641 165 H SER 20 H SER 20 -11.340 5.130 4.733 166 HA SER 20 HA SER 20 -10.239 7.789 4.838 167 1HB SER 20 2HB SER 20 -10.643 7.334 7.399 168 2HB SER 20 1HB SER 20 -12.012 7.592 6.315 169 HG SER 20 HG SER 20 -12.202 5.734 7.722 170 H ASP 21 H ASP 21 -8.750 4.936 4.584 171 HA ASP 21 HA ASP 21 -6.779 5.216 6.677 172 1HB ASP 21 2HB ASP 21 -7.070 3.325 4.345 173 2HB ASP 21 1HB ASP 21 -5.661 3.309 5.399 174 H THR 22 H THR 22 -4.569 5.669 6.369 175 HA THR 22 HA THR 22 -4.052 7.403 4.062 176 HB THR 22 HB THR 22 -2.361 8.471 5.316 177 HG1 THR 22 HG1 THR 22 -2.556 6.275 7.123 178 1HG2 THR 22 1HG2 THR 22 -4.790 7.804 6.938 179 2HG2 THR 22 2HG2 THR 22 -4.354 9.322 6.153 180 3HG2 THR 22 3HG2 THR 22 -3.517 8.816 7.620 181 H VAL 23 H VAL 23 -1.994 7.297 2.978 182 HA VAL 23 HA VAL 23 -1.286 4.847 1.992 183 HB VAL 23 HB VAL 23 0.553 7.221 2.326 184 1HG1 VAL 23 1HG1 VAL 23 0.820 4.631 0.897 185 2HG1 VAL 23 2HG1 VAL 23 2.043 5.609 1.709 186 3HG1 VAL 23 3HG1 VAL 23 1.455 6.079 0.115 187 1HG2 VAL 23 1HG2 VAL 23 -0.269 7.098 -0.304 188 2HG2 VAL 23 2HG2 VAL 23 -0.874 8.211 0.922 189 3HG2 VAL 23 3HG2 VAL 23 -1.730 6.702 0.601 190 H GLU 24 H GLU 24 0.193 6.541 4.736 191 HA GLU 24 HA GLU 24 2.285 4.812 5.278 192 1HB GLU 24 2HB GLU 24 2.082 6.905 6.451 193 2HB GLU 24 1HB GLU 24 0.560 6.407 7.177 194 1HG GLU 24 2HG GLU 24 2.480 4.462 7.867 195 2HG GLU 24 1HG GLU 24 3.214 6.042 8.138 196 H ASN 25 H ASN 25 -1.049 4.667 6.514 197 HA ASN 25 HA ASN 25 -0.759 2.385 8.095 198 1HB ASN 25 2HB ASN 25 -3.032 3.823 6.842 199 2HB ASN 25 1HB ASN 25 -3.334 2.158 7.332 200 1HD2 ASN 25 1HD2 ASN 25 -1.690 5.030 8.621 201 2HD2 ASN 25 2HD2 ASN 25 -2.347 4.898 10.214 202 H PHE 26 H PHE 26 -1.556 2.717 4.667 203 HA PHE 26 HA PHE 26 -2.089 -0.007 4.175 204 1HB PHE 26 2HB PHE 26 -2.682 1.925 2.668 205 2HB PHE 26 1HB PHE 26 -0.990 1.991 2.192 206 HD1 PHE 26 HD1 PHE 26 -2.637 -1.209 2.868 207 HD2 PHE 26 HD2 PHE 26 -1.499 1.597 -0.136 208 HE1 PHE 26 HE1 PHE 26 -3.060 -2.903 1.130 209 HE2 PHE 26 HE2 PHE 26 -1.922 -0.094 -1.880 210 HZ PHE 26 HZ PHE 26 -2.704 -2.346 -1.247 211 H LYS 27 H LYS 27 0.858 1.921 3.645 212 HA LYS 27 HA LYS 27 2.468 -0.150 2.684 213 1HB LYS 27 2HB LYS 27 3.315 2.271 4.286 214 2HB LYS 27 1HB LYS 27 4.370 1.275 3.293 215 1HG LYS 27 2HG LYS 27 3.050 1.916 1.308 216 2HG LYS 27 1HG LYS 27 2.088 2.985 2.330 217 1HD LYS 27 2HD LYS 27 3.599 4.587 2.040 218 2HD LYS 27 1HD LYS 27 4.801 3.573 2.841 219 1HE LYS 27 2HE LYS 27 5.579 2.698 0.814 220 2HE LYS 27 1HE LYS 27 4.143 3.222 -0.065 221 1HZ LYS 27 1HZ LYS 27 4.861 5.529 0.280 222 2HZ LYS 27 2HZ LYS 27 5.993 4.635 -0.604 223 3HZ LYS 27 3HZ LYS 27 6.274 4.976 1.028 224 H ALA 28 H ALA 28 1.758 0.880 5.978 225 HA ALA 28 HA ALA 28 3.693 -0.727 7.267 226 1HB ALA 28 1HB ALA 28 1.931 -0.465 9.214 227 2HB ALA 28 2HB ALA 28 1.248 0.737 8.119 228 3HB ALA 28 3HB ALA 28 2.914 0.896 8.676 229 H LYS 29 H LYS 29 0.377 -1.310 6.247 230 HA LYS 29 HA LYS 29 0.040 -3.780 7.590 231 1HB LYS 29 2HB LYS 29 -1.348 -2.410 5.315 232 2HB LYS 29 1HB LYS 29 -1.732 -4.086 5.685 233 1HG LYS 29 2HG LYS 29 -2.251 -3.380 8.016 234 2HG LYS 29 1HG LYS 29 -2.033 -1.707 7.502 235 1HD LYS 29 2HD LYS 29 -3.747 -2.556 5.609 236 2HD LYS 29 1HD LYS 29 -4.237 -3.591 6.952 237 1HE LYS 29 2HE LYS 29 -4.059 -0.581 6.996 238 2HE LYS 29 1HE LYS 29 -5.541 -1.534 6.919 239 1HZ LYS 29 1HZ LYS 29 -4.132 -0.725 9.188 240 2HZ LYS 29 2HZ LYS 29 -4.025 -2.410 9.109 241 3HZ LYS 29 3HZ LYS 29 -5.541 -1.659 9.113 242 H ILE 30 H ILE 30 1.244 -2.902 4.396 243 HA ILE 30 HA ILE 30 1.432 -5.564 3.408 244 HB ILE 30 HB ILE 30 3.047 -3.190 2.484 245 1HG1 ILE 30 2HG1 ILE 30 0.490 -3.990 1.167 246 2HG1 ILE 30 1HG1 ILE 30 0.402 -3.036 2.644 247 1HG2 ILE 30 1HG2 ILE 30 3.338 -5.744 1.745 248 2HG2 ILE 30 2HG2 ILE 30 3.591 -4.389 0.644 249 3HG2 ILE 30 3HG2 ILE 30 2.060 -5.265 0.627 250 1HD1 ILE 30 1HD1 ILE 30 2.092 -1.488 1.425 251 2HD1 ILE 30 2HD1 ILE 30 0.375 -1.416 1.023 252 3HD1 ILE 30 3HD1 ILE 30 1.491 -2.293 -0.025 253 H GLN 31 H GLN 31 3.684 -3.379 5.029 254 HA GLN 31 HA GLN 31 6.075 -4.664 4.716 255 1HB GLN 31 2HB GLN 31 5.963 -2.594 5.924 256 2HB GLN 31 1HB GLN 31 4.957 -3.314 7.174 257 1HG GLN 31 2HG GLN 31 7.062 -4.912 7.407 258 2HG GLN 31 1HG GLN 31 7.879 -3.496 6.746 259 1HE2 GLN 31 1HE2 GLN 31 8.431 -4.450 9.271 260 2HE2 GLN 31 2HE2 GLN 31 7.882 -3.308 10.445 261 H ASP 32 H ASP 32 3.879 -5.247 7.467 262 HA ASP 32 HA ASP 32 5.261 -7.542 8.365 263 1HB ASP 32 2HB ASP 32 3.297 -5.947 9.399 264 2HB ASP 32 1HB ASP 32 2.397 -7.414 9.024 265 H LYS 33 H LYS 33 3.383 -7.141 5.636 266 HA LYS 33 HA LYS 33 2.251 -9.817 5.645 267 1HB LYS 33 2HB LYS 33 1.978 -7.396 3.940 268 2HB LYS 33 1HB LYS 33 1.671 -8.956 3.188 269 1HG LYS 33 2HG LYS 33 0.343 -8.691 5.753 270 2HG LYS 33 1HG LYS 33 -0.135 -7.436 4.608 271 1HD LYS 33 2HD LYS 33 -1.520 -8.925 3.698 272 2HD LYS 33 1HD LYS 33 -0.096 -9.789 3.116 273 1HE LYS 33 2HE LYS 33 -1.052 -11.485 4.278 274 2HE LYS 33 1HE LYS 33 -0.162 -10.741 5.605 275 1HZ LYS 33 1HZ LYS 33 -2.109 -9.650 6.351 276 2HZ LYS 33 2HZ LYS 33 -2.542 -11.263 6.079 277 3HZ LYS 33 3HZ LYS 33 -2.979 -10.071 4.961 278 H GLU 34 H GLU 34 4.631 -7.974 3.739 279 HA GLU 34 HA GLU 34 5.636 -10.543 2.701 280 1HB GLU 34 2HB GLU 34 5.462 -7.823 1.449 281 2HB GLU 34 1HB GLU 34 6.652 -8.986 0.885 282 1HG GLU 34 2HG GLU 34 3.820 -9.854 1.109 283 2HG GLU 34 1HG GLU 34 4.278 -8.795 -0.223 284 H GLY 35 H GLY 35 6.324 -8.032 4.782 285 1HA GLY 35 2HA GLY 35 8.203 -7.611 6.050 286 2HA GLY 35 1HA GLY 35 8.976 -8.977 5.260 287 H ILE 36 H ILE 36 7.851 -5.706 4.374 288 HA ILE 36 HA ILE 36 10.514 -5.161 3.284 289 HB ILE 36 HB ILE 36 7.979 -4.586 1.749 290 1HG1 ILE 36 2HG1 ILE 36 10.123 -6.677 1.320 291 2HG1 ILE 36 1HG1 ILE 36 8.431 -6.969 1.710 292 1HG2 ILE 36 1HG2 ILE 36 10.635 -3.530 1.593 293 2HG2 ILE 36 2HG2 ILE 36 9.211 -3.108 0.643 294 3HG2 ILE 36 3HG2 ILE 36 10.263 -4.422 0.119 295 1HD1 ILE 36 1HD1 ILE 36 8.436 -7.367 -0.534 296 2HD1 ILE 36 2HD1 ILE 36 9.670 -6.150 -0.861 297 3HD1 ILE 36 3HD1 ILE 36 8.014 -5.654 -0.512 298 HA PRO 37 HA PRO 37 9.779 -1.530 5.806 299 1HB PRO 37 2HB PRO 37 12.155 -0.590 4.291 300 2HB PRO 37 1HB PRO 37 11.881 -0.643 6.035 301 1HG PRO 37 2HG PRO 37 13.503 -2.398 4.856 302 2HG PRO 37 1HG PRO 37 12.438 -2.889 6.186 303 1HD PRO 37 2HD PRO 37 12.142 -3.355 3.248 304 2HD PRO 37 1HD PRO 37 11.757 -4.432 4.606 305 HA PRO 38 HA PRO 38 7.462 1.060 3.068 306 1HB PRO 38 2HB PRO 38 8.274 3.226 4.936 307 2HB PRO 38 1HB PRO 38 6.659 2.742 4.407 308 1HG PRO 38 2HG PRO 38 7.531 2.136 6.852 309 2HG PRO 38 1HG PRO 38 6.542 0.993 5.925 310 1HD PRO 38 2HD PRO 38 9.485 0.972 6.440 311 2HD PRO 38 1HD PRO 38 8.346 -0.386 6.342 312 H ASP 39 H ASP 39 10.663 2.018 4.176 313 HA ASP 39 HA ASP 39 11.123 4.159 2.445 314 1HB ASP 39 2HB ASP 39 12.804 2.311 4.033 315 2HB ASP 39 1HB ASP 39 13.611 3.127 2.697 316 H GLN 40 H GLN 40 10.864 0.816 1.777 317 HA GLN 40 HA GLN 40 11.955 1.265 -0.925 318 1HB GLN 40 2HB GLN 40 11.789 -1.506 0.127 319 2HB GLN 40 1HB GLN 40 12.980 -0.777 -0.942 320 1HG GLN 40 2HG GLN 40 13.509 0.561 1.329 321 2HG GLN 40 1HG GLN 40 12.928 -0.964 1.994 322 1HE2 GLN 40 1HE2 GLN 40 15.618 0.622 1.149 323 2HE2 GLN 40 2HE2 GLN 40 16.653 -0.703 0.752 324 H GLN 41 H GLN 41 9.157 1.255 0.512 325 HA GLN 41 HA GLN 41 7.800 -0.627 -1.278 326 1HB GLN 41 2HB GLN 41 7.057 0.730 1.275 327 2HB GLN 41 1HB GLN 41 5.774 0.247 0.175 328 1HG GLN 41 2HG GLN 41 6.995 -2.055 0.209 329 2HG GLN 41 1HG GLN 41 7.688 -1.442 1.711 330 1HE2 GLN 41 1HE2 GLN 41 6.599 -1.872 3.483 331 2HE2 GLN 41 2HE2 GLN 41 4.913 -2.231 3.583 332 H ARG 42 H ARG 42 7.274 0.179 -3.197 333 HA ARG 42 HA ARG 42 6.327 2.965 -3.337 334 1HB ARG 42 2HB ARG 42 8.394 1.784 -4.744 335 2HB ARG 42 1HB ARG 42 7.056 1.734 -5.883 336 1HG ARG 42 2HG ARG 42 6.801 4.258 -5.091 337 2HG ARG 42 1HG ARG 42 8.526 4.053 -4.781 338 1HD ARG 42 2HD ARG 42 8.849 3.302 -7.087 339 2HD ARG 42 1HD ARG 42 7.126 3.513 -7.396 340 HE ARG 42 HE ARG 42 7.879 5.957 -6.546 341 1HH1 ARG 42 2HH1 ARG 42 9.150 3.797 -8.963 342 2HH1 ARG 42 1HH1 ARG 42 9.754 5.069 -9.970 343 1HH2 ARG 42 1HH2 ARG 42 8.669 7.641 -7.864 344 2HH2 ARG 42 2HH2 ARG 42 9.481 7.257 -9.345 345 H LEU 43 H LEU 43 4.185 3.036 -3.430 346 HA LEU 43 HA LEU 43 2.754 0.913 -4.873 347 1HB LEU 43 2HB LEU 43 1.474 2.935 -3.061 348 2HB LEU 43 1HB LEU 43 0.862 1.368 -3.553 349 HG LEU 43 HG LEU 43 3.224 1.786 -1.718 350 1HD1 LEU 43 1HD1 LEU 43 1.197 2.536 -0.640 351 2HD1 LEU 43 2HD1 LEU 43 1.701 0.993 0.048 352 3HD1 LEU 43 3HD1 LEU 43 0.366 1.051 -1.104 353 1HD2 LEU 43 1HD2 LEU 43 3.265 -0.303 -3.035 354 2HD2 LEU 43 2HD2 LEU 43 1.679 -0.717 -2.384 355 3HD2 LEU 43 3HD2 LEU 43 3.069 -0.588 -1.306 356 H ILE 44 H ILE 44 1.850 1.350 -6.768 357 HA ILE 44 HA ILE 44 1.253 4.159 -7.429 358 HB ILE 44 HB ILE 44 2.350 2.081 -9.325 359 1HG1 ILE 44 2HG1 ILE 44 3.585 4.364 -7.827 360 2HG1 ILE 44 1HG1 ILE 44 4.211 2.740 -8.097 361 1HG2 ILE 44 1HG2 ILE 44 0.676 3.989 -10.064 362 2HG2 ILE 44 2HG2 ILE 44 2.064 3.542 -11.056 363 3HG2 ILE 44 3HG2 ILE 44 2.146 4.963 -10.016 364 1HD1 ILE 44 1HD1 ILE 44 4.317 5.131 -9.853 365 2HD1 ILE 44 2HD1 ILE 44 4.292 3.530 -10.592 366 3HD1 ILE 44 3HD1 ILE 44 5.573 3.957 -9.458 367 H PHE 45 H PHE 45 -0.663 4.566 -8.412 368 HA PHE 45 HA PHE 45 -2.280 2.313 -9.349 369 1HB PHE 45 2HB PHE 45 -2.877 2.778 -6.965 370 2HB PHE 45 1HB PHE 45 -3.346 4.407 -7.444 371 HD1 PHE 45 HD1 PHE 45 -4.127 0.820 -7.909 372 HD2 PHE 45 HD2 PHE 45 -5.457 4.843 -8.381 373 HE1 PHE 45 HE1 PHE 45 -6.387 0.003 -8.457 374 HE2 PHE 45 HE2 PHE 45 -7.721 4.035 -8.929 375 HZ PHE 45 HZ PHE 45 -8.187 1.612 -8.968 376 H ALA 46 H ALA 46 -2.424 2.876 -11.443 377 HA ALA 46 HA ALA 46 -3.087 3.993 -13.312 378 1HB ALA 46 1HB ALA 46 -5.055 5.099 -13.200 379 2HB ALA 46 2HB ALA 46 -4.537 6.109 -11.850 380 3HB ALA 46 3HB ALA 46 -5.066 4.452 -11.558 381 H GLY 47 H GLY 47 -0.606 4.671 -12.091 382 1HA GLY 47 2HA GLY 47 1.059 6.173 -12.726 383 2HA GLY 47 1HA GLY 47 -0.181 7.236 -13.373 384 H LYS 48 H LYS 48 -1.501 6.743 -10.572 385 HA LYS 48 HA LYS 48 -0.296 9.103 -9.379 386 1HB LYS 48 2HB LYS 48 -2.832 7.578 -8.989 387 2HB LYS 48 1HB LYS 48 -2.238 8.564 -7.661 388 1HG LYS 48 2HG LYS 48 -2.632 10.523 -8.751 389 2HG LYS 48 1HG LYS 48 -2.390 9.811 -10.347 390 1HD LYS 48 2HD LYS 48 -4.548 9.079 -10.499 391 2HD LYS 48 1HD LYS 48 -4.715 8.875 -8.754 392 1HE LYS 48 2HE LYS 48 -5.591 10.910 -8.517 393 2HE LYS 48 1HE LYS 48 -4.298 11.647 -9.462 394 1HZ LYS 48 1HZ LYS 48 -5.465 11.141 -11.473 395 2HZ LYS 48 2HZ LYS 48 -6.527 11.951 -10.435 396 3HZ LYS 48 3HZ LYS 48 -6.656 10.277 -10.637 397 H GLN 49 H GLN 49 1.523 8.694 -8.275 398 HA GLN 49 HA GLN 49 1.966 6.252 -6.850 399 1HB GLN 49 2HB GLN 49 3.831 7.468 -7.849 400 2HB GLN 49 1HB GLN 49 3.502 8.856 -6.821 401 1HG GLN 49 2HG GLN 49 3.844 7.135 -4.888 402 2HG GLN 49 1HG GLN 49 4.704 6.222 -6.126 403 1HE2 GLN 49 1HE2 GLN 49 6.427 6.645 -4.458 404 2HE2 GLN 49 2HE2 GLN 49 7.377 8.072 -4.664 405 H LEU 50 H LEU 50 1.804 5.825 -4.705 406 HA LEU 50 HA LEU 50 0.269 7.719 -3.118 407 1HB LEU 50 2HB LEU 50 0.917 4.812 -2.911 408 2HB LEU 50 1HB LEU 50 0.441 5.677 -1.463 409 HG LEU 50 HG LEU 50 -1.725 5.982 -2.181 410 1HD1 LEU 50 1HD1 LEU 50 -2.323 5.680 -4.659 411 2HD1 LEU 50 2HD1 LEU 50 -0.591 5.844 -4.950 412 3HD1 LEU 50 3HD1 LEU 50 -1.484 7.155 -4.178 413 1HD2 LEU 50 1HD2 LEU 50 -2.510 3.882 -3.196 414 2HD2 LEU 50 2HD2 LEU 50 -1.356 3.609 -1.891 415 3HD2 LEU 50 3HD2 LEU 50 -0.839 3.459 -3.570 416 H GLU 51 H GLU 51 1.105 8.972 -1.591 417 HA GLU 51 HA GLU 51 3.830 8.380 -0.637 418 1HB GLU 51 2HB GLU 51 2.455 10.996 -1.201 419 2HB GLU 51 1HB GLU 51 3.859 10.909 -0.147 420 1HG GLU 51 2HG GLU 51 5.085 9.809 -2.041 421 2HG GLU 51 1HG GLU 51 3.703 10.199 -3.063 422 H ASP 52 H ASP 52 4.312 8.845 1.570 423 HA ASP 52 HA ASP 52 2.263 8.108 3.373 424 1HB ASP 52 2HB ASP 52 5.061 9.159 3.760 425 2HB ASP 52 1HB ASP 52 4.009 8.782 5.123 426 H GLY 53 H GLY 53 1.000 10.084 2.262 427 1HA GLY 53 2HA GLY 53 0.717 12.023 4.393 428 2HA GLY 53 1HA GLY 53 1.253 12.695 2.862 429 H ARG 54 H ARG 54 -0.391 10.676 1.349 430 HA ARG 54 HA ARG 54 -2.929 12.112 1.615 431 1HB ARG 54 2HB ARG 54 -1.405 10.992 -0.612 432 2HB ARG 54 1HB ARG 54 -3.106 10.548 -0.660 433 1HG ARG 54 2HG ARG 54 -2.888 12.526 -1.924 434 2HG ARG 54 1HG ARG 54 -3.639 12.992 -0.397 435 1HD ARG 54 2HD ARG 54 -1.792 14.123 0.328 436 2HD ARG 54 1HD ARG 54 -0.677 13.102 -0.580 437 HE ARG 54 HE ARG 54 -2.122 14.512 -2.458 438 1HH1 ARG 54 2HH1 ARG 54 0.012 15.260 0.191 439 2HH1 ARG 54 1HH1 ARG 54 0.596 16.726 -0.524 440 1HH2 ARG 54 1HH2 ARG 54 -1.360 16.440 -3.408 441 2HH2 ARG 54 2HH2 ARG 54 -0.185 17.398 -2.569 442 H THR 55 H THR 55 -4.866 10.665 0.853 443 HA THR 55 HA THR 55 -4.723 8.141 2.372 444 HB THR 55 HB THR 55 -7.245 8.478 2.657 445 HG1 THR 55 HG1 THR 55 -7.468 11.007 2.698 446 1HG2 THR 55 1HG2 THR 55 -6.186 8.740 4.659 447 2HG2 THR 55 2HG2 THR 55 -6.710 10.407 4.423 448 3HG2 THR 55 3HG2 THR 55 -5.056 9.939 4.030 449 H LEU 56 H LEU 56 -6.532 6.590 1.712 450 HA LEU 56 HA LEU 56 -6.172 5.860 -0.972 451 1HB LEU 56 2HB LEU 56 -8.468 5.014 0.790 452 2HB LEU 56 1HB LEU 56 -7.798 4.141 -0.576 453 HG LEU 56 HG LEU 56 -6.588 4.527 2.150 454 1HD1 LEU 56 1HD1 LEU 56 -7.705 2.590 2.374 455 2HD1 LEU 56 2HD1 LEU 56 -6.332 1.919 1.493 456 3HD1 LEU 56 3HD1 LEU 56 -7.816 2.330 0.633 457 1HD2 LEU 56 1HD2 LEU 56 -5.238 3.509 -0.345 458 2HD2 LEU 56 2HD2 LEU 56 -4.587 3.383 1.289 459 3HD2 LEU 56 3HD2 LEU 56 -4.825 4.969 0.553 460 H SER 57 H SER 57 -8.827 7.536 0.656 461 HA SER 57 HA SER 57 -10.583 7.652 -1.536 462 1HB SER 57 2HB SER 57 -11.821 9.247 -0.287 463 2HB SER 57 1HB SER 57 -11.092 8.179 0.912 464 HG SER 57 HG SER 57 -10.922 10.533 1.274 465 H ASP 58 H ASP 58 -7.720 9.426 -0.776 466 HA ASP 58 HA ASP 58 -8.239 11.714 -2.385 467 1HB ASP 58 2HB ASP 58 -5.726 10.519 -1.229 468 2HB ASP 58 1HB ASP 58 -5.679 11.941 -2.268 469 H TYR 59 H TYR 59 -6.946 8.532 -3.001 470 HA TYR 59 HA TYR 59 -6.234 9.286 -5.742 471 1HB TYR 59 2HB TYR 59 -5.752 6.676 -4.289 472 2HB TYR 59 1HB TYR 59 -5.115 7.121 -5.868 473 HD1 TYR 59 HD1 TYR 59 -4.364 6.912 -2.461 474 HD2 TYR 59 HD2 TYR 59 -3.728 9.404 -5.860 475 HE1 TYR 59 HE1 TYR 59 -2.370 7.871 -1.377 476 HE2 TYR 59 HE2 TYR 59 -1.731 10.370 -4.786 477 HH TYR 59 HH TYR 59 -0.631 10.580 -2.790 478 H ASN 60 H ASN 60 -9.010 9.002 -4.719 479 HA ASN 60 HA ASN 60 -11.004 8.024 -5.262 480 1HB ASN 60 2HB ASN 60 -11.345 7.704 -7.673 481 2HB ASN 60 1HB ASN 60 -10.468 9.196 -7.349 482 1HD2 ASN 60 1HD2 ASN 60 -10.376 6.089 -8.801 483 2HD2 ASN 60 2HD2 ASN 60 -8.820 6.236 -9.538 484 H ILE 61 H ILE 61 -9.401 6.227 -3.945 485 HA ILE 61 HA ILE 61 -9.281 3.742 -5.409 486 HB ILE 61 HB ILE 61 -8.834 4.293 -2.473 487 1HG1 ILE 61 2HG1 ILE 61 -6.962 4.078 -4.833 488 2HG1 ILE 61 1HG1 ILE 61 -7.162 5.439 -3.734 489 1HG2 ILE 61 1HG2 ILE 61 -8.672 2.104 -2.147 490 2HG2 ILE 61 2HG2 ILE 61 -7.515 1.953 -3.469 491 3HG2 ILE 61 3HG2 ILE 61 -9.245 1.850 -3.796 492 1HD1 ILE 61 1HD1 ILE 61 -6.412 3.075 -2.284 493 2HD1 ILE 61 2HD1 ILE 61 -5.612 4.644 -2.375 494 3HD1 ILE 61 3HD1 ILE 61 -5.269 3.407 -3.585 495 H GLN 62 H GLN 62 -10.869 2.315 -5.598 496 HA GLN 62 HA GLN 62 -13.015 2.309 -3.582 497 1HB GLN 62 2HB GLN 62 -13.349 1.950 -6.566 498 2HB GLN 62 1HB GLN 62 -14.633 1.824 -5.371 499 1HG GLN 62 2HG GLN 62 -14.995 3.997 -5.505 500 2HG GLN 62 1HG GLN 62 -13.331 4.324 -5.021 501 1HE2 GLN 62 1HE2 GLN 62 -12.972 6.036 -6.350 502 2HE2 GLN 62 2HE2 GLN 62 -12.932 5.922 -8.074 503 H LYS 63 H LYS 63 -14.443 0.182 -4.140 504 HA LYS 63 HA LYS 63 -12.868 -1.992 -3.358 505 1HB LYS 63 2HB LYS 63 -15.337 -1.757 -3.010 506 2HB LYS 63 1HB LYS 63 -15.565 -2.126 -4.714 507 1HG LYS 63 2HG LYS 63 -14.218 -4.271 -4.177 508 2HG LYS 63 1HG LYS 63 -14.643 -3.908 -2.503 509 1HD LYS 63 2HD LYS 63 -16.523 -4.391 -4.808 510 2HD LYS 63 1HD LYS 63 -16.295 -5.401 -3.379 511 1HE LYS 63 2HE LYS 63 -17.049 -3.398 -2.019 512 2HE LYS 63 1HE LYS 63 -17.545 -2.670 -3.547 513 1HZ LYS 63 1HZ LYS 63 -18.515 -5.288 -2.536 514 2HZ LYS 63 2HZ LYS 63 -19.052 -4.482 -3.922 515 3HZ LYS 63 3HZ LYS 63 -19.362 -3.829 -2.393 516 H GLU 64 H GLU 64 -12.188 -3.851 -4.449 517 HA GLU 64 HA GLU 64 -11.416 -5.118 -6.179 518 1HB GLU 64 2HB GLU 64 -13.141 -3.357 -7.931 519 2HB GLU 64 1HB GLU 64 -12.400 -4.879 -8.405 520 1HG GLU 64 2HG GLU 64 -14.029 -5.142 -6.019 521 2HG GLU 64 1HG GLU 64 -14.941 -4.532 -7.399 522 H SER 65 H SER 65 -10.333 -2.412 -5.328 523 HA SER 65 HA SER 65 -8.965 -1.487 -7.711 524 1HB SER 65 2HB SER 65 -9.083 -0.577 -4.851 525 2HB SER 65 1HB SER 65 -7.803 0.012 -5.914 526 HG SER 65 HG SER 65 -9.228 1.126 -7.042 527 H THR 66 H THR 66 -6.914 -1.948 -8.284 528 HA THR 66 HA THR 66 -5.355 -3.655 -6.455 529 HB THR 66 HB THR 66 -4.995 -3.684 -9.440 530 HG1 THR 66 HG1 THR 66 -6.580 -5.627 -8.166 531 1HG2 THR 66 1HG2 THR 66 -4.046 -5.227 -7.121 532 2HG2 THR 66 2HG2 THR 66 -3.288 -4.957 -8.691 533 3HG2 THR 66 3HG2 THR 66 -4.532 -6.194 -8.512 534 H ILE 67 H ILE 67 -3.362 -3.005 -5.922 535 HA ILE 67 HA ILE 67 -2.245 -0.689 -7.363 536 HB ILE 67 HB ILE 67 -1.756 -1.418 -4.475 537 1HG1 ILE 67 2HG1 ILE 67 -3.083 0.892 -4.295 538 2HG1 ILE 67 1HG1 ILE 67 -3.802 0.303 -5.791 539 1HG2 ILE 67 1HG2 ILE 67 -0.600 0.524 -6.325 540 2HG2 ILE 67 2HG2 ILE 67 0.023 -0.100 -4.798 541 3HG2 ILE 67 3HG2 ILE 67 -1.140 1.226 -4.800 542 1HD1 ILE 67 1HD1 ILE 67 -4.979 -0.230 -3.589 543 2HD1 ILE 67 2HD1 ILE 67 -3.696 -1.415 -3.346 544 3HD1 ILE 67 3HD1 ILE 67 -4.758 -1.540 -4.749 545 H HIS 68 H HIS 68 -0.044 -0.656 -7.815 546 HA HIS 68 HA HIS 68 1.242 -3.289 -7.757 547 1HB HIS 68 2HB HIS 68 1.549 -0.858 -9.483 548 2HB HIS 68 1HB HIS 68 2.871 -2.013 -9.364 549 HD1 HIS 68 HD1 HIS 68 2.763 -3.944 -10.919 550 HD2 HIS 68 HD2 HIS 68 -0.945 -2.136 -10.418 551 HE1 HIS 68 HE1 HIS 68 1.225 -5.106 -12.534 552 HE2 HIS 68 HE2 HIS 68 -0.988 -3.928 -12.282 553 H LEU 69 H LEU 69 2.972 -3.695 -6.535 554 HA LEU 69 HA LEU 69 4.116 -1.471 -5.001 555 1HB LEU 69 2HB LEU 69 3.287 -3.169 -3.574 556 2HB LEU 69 1HB LEU 69 4.017 -4.440 -4.535 557 HG LEU 69 HG LEU 69 6.269 -3.541 -3.835 558 1HD1 LEU 69 1HD1 LEU 69 6.062 -2.263 -1.586 559 2HD1 LEU 69 2HD1 LEU 69 4.478 -1.793 -2.203 560 3HD1 LEU 69 3HD1 LEU 69 5.933 -1.376 -3.106 561 1HD2 LEU 69 1HD2 LEU 69 5.901 -4.386 -1.393 562 2HD2 LEU 69 2HD2 LEU 69 5.704 -5.494 -2.751 563 3HD2 LEU 69 3HD2 LEU 69 4.287 -4.783 -1.981 564 H VAL 70 H VAL 70 6.236 -0.940 -5.108 565 HA VAL 70 HA VAL 70 8.001 -2.626 -6.749 566 HB VAL 70 HB VAL 70 8.510 0.263 -6.958 567 1HG1 VAL 70 1HG1 VAL 70 9.718 -1.560 -8.170 568 2HG1 VAL 70 2HG1 VAL 70 9.065 -0.296 -9.211 569 3HG1 VAL 70 3HG1 VAL 70 8.240 -1.850 -9.088 570 1HG2 VAL 70 1HG2 VAL 70 5.986 0.081 -7.014 571 2HG2 VAL 70 2HG2 VAL 70 6.179 -0.851 -8.498 572 3HG2 VAL 70 3HG2 VAL 70 6.744 0.817 -8.426 573 H LEU 71 H LEU 71 10.265 -2.365 -6.326 574 HA LEU 71 HA LEU 71 10.790 -1.801 -3.536 575 1HB LEU 71 2HB LEU 71 11.866 -3.528 -5.496 576 2HB LEU 71 1HB LEU 71 13.156 -2.437 -5.031 577 HG LEU 71 HG LEU 71 13.003 -4.619 -3.748 578 1HD1 LEU 71 1HD1 LEU 71 13.820 -2.110 -2.991 579 2HD1 LEU 71 2HD1 LEU 71 14.149 -3.610 -2.123 580 3HD1 LEU 71 3HD1 LEU 71 12.776 -2.605 -1.658 581 1HD2 LEU 71 1HD2 LEU 71 11.085 -3.604 -1.851 582 2HD2 LEU 71 2HD2 LEU 71 11.161 -5.179 -2.642 583 3HD2 LEU 71 3HD2 LEU 71 10.350 -3.830 -3.438 584 H ARG 72 H ARG 72 11.547 -0.447 -6.680 585 HA ARG 72 HA ARG 72 12.288 1.631 -7.264 586 1HB ARG 72 2HB ARG 72 10.973 2.384 -5.253 587 2HB ARG 72 1HB ARG 72 12.452 2.247 -4.311 588 1HG ARG 72 2HG ARG 72 13.044 3.800 -6.600 589 2HG ARG 72 1HG ARG 72 11.544 4.417 -5.903 590 1HD ARG 72 2HD ARG 72 13.369 3.861 -3.789 591 2HD ARG 72 1HD ARG 72 14.202 4.822 -5.010 592 HE ARG 72 HE ARG 72 12.237 5.742 -3.203 593 1HH1 ARG 72 2HH1 ARG 72 13.272 6.078 -6.510 594 2HH1 ARG 72 1HH1 ARG 72 12.652 7.687 -6.677 595 1HH2 ARG 72 1HH2 ARG 72 11.415 7.859 -3.411 596 2HH2 ARG 72 2HH2 ARG 72 11.596 8.699 -4.915 597 H LEU 73 H LEU 73 14.228 1.274 -8.159 598 HA LEU 73 HA LEU 73 16.470 0.912 -8.393 599 1HB LEU 73 2HB LEU 73 16.030 3.158 -6.708 600 2HB LEU 73 1HB LEU 73 17.437 2.307 -6.099 601 HG LEU 73 HG LEU 73 17.919 2.400 -8.811 602 1HD1 LEU 73 1HD1 LEU 73 17.317 4.428 -9.710 603 2HD1 LEU 73 2HD1 LEU 73 17.068 5.176 -8.133 604 3HD1 LEU 73 3HD1 LEU 73 15.883 4.032 -8.764 605 1HD2 LEU 73 1HD2 LEU 73 18.808 4.071 -6.491 606 2HD2 LEU 73 2HD2 LEU 73 19.437 4.357 -8.115 607 3HD2 LEU 73 3HD2 LEU 73 19.675 2.791 -7.340 608 H ARG 74 H ARG 74 16.816 -1.230 -8.017 609 HA ARG 74 HA ARG 74 16.800 -2.422 -5.444 610 1HB ARG 74 2HB ARG 74 17.321 -3.257 -8.194 611 2HB ARG 74 1HB ARG 74 18.343 -4.083 -7.026 612 1HG ARG 74 2HG ARG 74 16.339 -5.364 -7.442 613 2HG ARG 74 1HG ARG 74 16.345 -4.770 -5.779 614 1HD ARG 74 2HD ARG 74 14.145 -4.470 -6.669 615 2HD ARG 74 1HD ARG 74 14.899 -2.883 -6.522 616 HE ARG 74 HE ARG 74 15.126 -4.149 -9.119 617 1HH1 ARG 74 2HH1 ARG 74 13.369 -1.941 -7.079 618 2HH1 ARG 74 1HH1 ARG 74 12.637 -1.098 -8.402 619 1HH2 ARG 74 1HH2 ARG 74 14.168 -3.045 -10.870 620 2HH2 ARG 74 2HH2 ARG 74 13.090 -1.726 -10.558 621 H GLY 75 H GLY 75 18.215 -0.628 -4.529 622 1HA GLY 75 2HA GLY 75 20.540 -1.496 -3.518 623 2HA GLY 75 1HA GLY 75 21.053 -0.895 -5.087 624 H GLY 76 HN GLY 76 21.034 -0.086 -1.983 625 1HA GLY 76 2HA GLY 76 20.588 2.782 -2.552 626 2HA GLY 76 1HA GLY 76 20.252 2.047 -0.991
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